#DEFINITION	Reference Metabolome for Canna indica
#IDENTTFIER	RefMeta-Canna indica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Canna indica
#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 Canna indica 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	1002.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33699	0.9
69.34110	2.5
71.07370	6.6
72.11115	0.4
79.05493	1.6
81.07047	3.7
86.09705	50.6
89.35846	0.4
91.05475	1.8
91.27997	0.4
93.07042	1.9
95.08602	2.6
97.06510	0.7
98.21473	0.7
98.98474	3.3
104.10742	91.4
105.07029	1.6
107.08562	1.2
109.10153	0.6
119.08604	1.3
125.00001	27.3
131.08542	0.5
133.10168	0.5
135.11723	0.9
143.08569	0.4
145.10120	0.5
147.11655	0.6
159.11729	0.7
161.13287	0.5
163.01550	0.6
173.13210	0.5
181.02440	0.4
184.07338	100.0
258.10999	0.6
259.20648	0.5
333.24130	0.5
337.27347	1.2
502.32959	9.1
520.33984	90.3
521.34271	1.7
607.43140	1.0
625.44769	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6196
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07379	2.3
71.08611	0.1
71.75686	0.1
79.05493	1.5
81.03378	0.1
81.07053	2.4
83.04949	0.2
83.08611	0.5
85.02909	0.2
86.09706	26.3
91.03958	0.2
91.05487	0.9
93.07048	1.6
95.04963	0.3
95.08614	1.8
97.06528	0.2
97.10170	0.4
98.98461	2.3
104.10746	2.6
105.07028	0.8
107.04972	0.1
107.08582	1.1
109.06517	0.1
109.10150	1.5
117.07049	0.3
119.08610	0.6
121.10136	0.9
123.11712	0.3
125.00008	18.5
125.09637	0.2
131.08543	0.6
132.06471	0.1
133.10123	0.5
135.11681	0.7
143.01048	0.2
145.10127	0.4
147.11708	0.3
149.13307	0.3
154.94249	0.2
159.11736	0.4
161.13303	0.3
163.01459	0.1
166.02760	0.2
171.03477	0.1
173.11728	0.2
173.13240	0.2
184.07343	100.0
185.07658	0.4
227.12814	0.2
229.14404	1.0
243.21083	0.2
261.22229	0.5
269.17508	0.4
275.20111	0.6
302.74533	0.1
317.24655	0.2
333.24203	0.2
335.25812	3.3
349.23596	0.7
367.24973	0.3
489.35818	1.0
497.12973	0.1
501.57205	0.1
504.34549	1.6
507.37424	0.2
522.35571	21.2
523.35706	0.5
529.38934	1.3
551.40570	0.1
609.45001	1.8
627.46497	1.0
821.00299	0.2
863.25671	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.8
55.05488	8.1
56.96560	3.7
59.04993	4.0
59.06112	8.9
59.99955	2.4
62.78303	2.3
71.15532	5.0
73.02884	6.7
79.01822	3.1
79.99732	2.3
82.01439	2.8
82.99828	7.1
83.01507	25.7
84.01192	4.4
85.02878	2.2
89.00251	30.3
90.00143	2.8
98.00751	10.6
98.50809	3.5
100.02457	3.7
101.00886	52.4
101.02560	51.2
101.06017	3.2
101.07948	2.5
102.02224	4.4
117.95993	17.8
118.96771	4.4
119.01931	100.0
119.03607	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.0
55.01873	21.3
55.05515	35.5
56.05036	9.3
56.96567	14.3
57.03424	6.3
57.07077	2.8
58.06592	3.3
58.99848	2.4
59.05009	12.2
59.06128	13.2
59.93107	5.3
59.99922	2.7
60.04509	6.2
65.52183	2.3
67.51074	4.4
67.58469	1.8
68.02630	3.4
68.99771	2.5
69.14735	2.0
70.98116	1.8
70.99848	2.5
71.01329	2.4
71.04987	4.5
71.50850	2.8
71.52177	4.1
73.02921	30.9
74.02431	2.2
74.06085	1.9
74.98930	1.8
77.00853	2.7
78.52981	3.4
79.01853	4.6
80.52707	6.3
82.01493	10.2
82.99832	4.2
83.01515	13.4
83.04987	20.5
83.06131	2.3
84.04507	7.2
84.08142	8.6
85.02917	16.8
85.51901	3.1
88.02399	2.3
89.00262	36.9
89.00779	2.1
89.03452	2.5
89.52329	3.2
90.00130	5.1
90.02360	2.5
97.69439	1.9
98.00776	18.1
98.50833	2.6
100.02489	27.0
100.51073	1.9
100.98911	2.0
101.00894	36.8
101.02513	41.2
101.06046	15.5
101.07127	11.2
101.07936	6.1
101.10781	6.3
101.53249	4.4
102.02222	6.5
102.05535	6.0
107.01276	2.2
114.04007	4.4
117.95988	23.3
118.03516	8.1
118.96745	8.2
119.01926	100.0
119.03599	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	101.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.2
55.01876	28.8
55.05513	90.7
56.04813	1.8
56.05032	18.1
56.96349	2.6
56.96570	31.1
57.03426	9.6
57.07068	2.6
59.05008	29.2
59.06128	57.2
59.93118	11.6
59.99972	2.1
60.04515	14.2
61.02894	3.3
67.51059	10.1
68.48922	3.7
68.50606	2.2
68.99786	3.1
71.01344	2.7
71.04987	8.7
71.50470	2.6
71.50858	2.9
73.02922	65.3
73.06548	4.5
74.02434	12.7
74.06074	7.6
76.51592	2.9
76.93367	2.8
78.52957	3.8
79.01873	13.4
79.99703	3.3
80.52719	3.3
82.01447	6.5
83.01494	7.3
83.04977	54.1
83.06087	4.8
84.04519	10.2
84.08140	6.4
85.02905	24.2
88.02361	3.0
89.00260	100.0
89.50335	8.9
90.00127	12.9
90.02367	2.1
98.00778	46.9
98.50887	4.0
99.00647	5.8
100.02488	16.2
100.51020	3.7
100.98876	8.4
101.00903	24.0
101.02458	50.0
101.03465	3.1
101.04263	2.9
101.06023	45.7
101.07104	10.9
101.07884	14.1
101.10783	4.2
101.14153	2.0
102.02251	4.6
102.05522	9.8
102.09183	4.7
114.04060	4.0
117.95991	63.4
118.03511	7.0
118.96014	4.4
118.96764	15.4
119.01923	98.4
119.03625	20.9
119.95734	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	1017.6887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07380	3.6
71.08629	0.2
79.05495	0.2
81.07048	0.3
83.08617	0.5
84.12170	0.1
85.10184	0.3
86.09711	34.1
93.07038	0.2
95.08604	0.4
97.10165	0.2
98.98476	3.3
104.10752	28.6
109.10114	0.3
125.00015	23.0
136.06151	0.1
139.01561	0.2
143.01079	0.2
149.51097	0.1
161.74701	0.1
162.07826	0.2
163.01578	0.3
184.07355	100.0
185.07759	0.2
185.11592	0.1
198.08945	0.6
229.12946	0.2
258.11075	0.4
311.26096	0.6
312.26260	0.5
313.27310	0.7
349.27692	0.1
398.75073	0.1
419.25122	0.2
438.68588	0.1
478.32986	2.1
496.34018	27.7
497.34372	0.5
504.34503	1.6
510.35291	0.8
522.35602	21.9
523.36084	0.4
536.37225	0.2
625.45416	0.7
679.40472	0.2
689.98096	0.2
755.64648	0.1
909.13483	0.1
1017.68921	6.5
1018.68060	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	1018.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	1.6
71.04992	4.1
71.52642	1.2
73.02911	4.8
79.05497	43.0
81.03413	8.3
81.07059	63.8
83.04970	7.8
83.08615	12.1
83.48359	1.0
84.64362	1.1
85.02907	20.1
85.06537	4.1
87.04427	1.8
91.03958	5.9
91.04906	1.6
91.05482	31.4
91.12540	1.1
93.07047	43.9
93.07639	2.2
95.04987	6.6
95.08610	40.2
95.23337	1.1
97.02905	10.0
97.06528	6.9
97.10175	14.1
99.08102	1.5
103.03916	1.2
105.07031	16.6
107.04939	2.8
107.08593	28.5
109.06526	1.7
109.10159	58.2
111.04408	1.7
111.08061	4.5
117.07031	7.7
119.08598	16.2
121.06493	1.4
121.10140	19.6
123.08086	3.1
123.11734	7.1
125.09633	11.7
127.03917	3.1
129.05489	2.3
129.06979	2.8
131.08583	13.4
133.10123	10.4
135.08058	1.6
135.11696	17.2
137.09608	4.3
137.13269	2.1
139.11188	1.8
141.84900	1.0
143.08507	2.1
143.10652	2.6
145.04950	4.2
145.10136	11.5
147.11684	6.8
149.09622	1.9
149.13292	6.5
153.12729	3.9
155.08662	1.2
155.10667	4.2
157.10109	2.2
159.11673	6.6
161.13245	4.7
162.62727	1.0
163.06010	4.0
163.11191	6.3
163.14813	3.7
171.11732	2.0
173.09602	1.3
173.11729	16.8
173.13264	5.5
175.14854	2.4
181.12207	1.5
185.13231	1.4
187.14775	1.8
189.11205	2.2
193.12251	3.0
199.13251	5.7
199.14888	1.9
201.16409	1.9
209.11678	5.5
211.13258	1.6
217.14229	2.1
227.12747	8.4
229.14349	52.4
243.21169	5.5
257.13873	3.0
259.20502	2.6
261.22165	21.0
267.15970	6.6
283.15396	2.9
289.21848	1.4
301.16495	16.6
317.24734	3.1
327.23294	1.5
333.24222	1.6
335.25815	100.0
363.25522	1.8
399.23782	14.4
415.31943	1.8
459.34506	1.7
469.33032	1.4
477.35687	8.2
489.29022	1.8
489.35751	26.6
507.37408	1.2
527.36969	2.1
543.36505	4.2
561.37860	12.0
579.39227	6.7
659.45221	47.3
967.49945	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.0
53.03720	1.2
53.03951	19.3
56.96556	2.9
57.03424	2.6
60.08150	1.6
63.79237	0.8
71.08230	1.8
77.03941	5.2
79.01875	1.3
81.03407	1.9
85.02897	5.2
86.16100	0.7
87.04453	1.6
95.04976	16.3
102.04696	3.6
103.03997	9.9
103.05470	100.0
104.10754	4.9
105.04511	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	3.0
59.07383	0.8
60.08167	31.9
69.03432	1.0
70.53580	0.4
70.53902	0.4
74.21758	0.2
78.91338	0.2
86.06080	0.7
87.04485	2.3
96.72604	0.3
99.73172	0.2
103.45178	0.2
104.10749	100.0
105.11092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
52.39109	0.2
58.06599	3.1
59.07384	0.9
60.08166	33.1
69.03441	1.0
70.53719	0.6
73.06702	0.2
86.06065	0.6
87.04473	3.3
99.44081	0.2
104.10744	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01592	2.6
51.02387	9.5
53.03950	75.1
55.01867	4.4
59.26834	1.0
60.04535	2.3
60.08159	1.3
61.08491	2.4
77.03933	14.7
79.05497	32.3
81.03415	8.0
87.00826	2.9
87.04442	1.6
88.03437	1.2
88.04785	3.2
95.04971	76.3
103.05471	19.4
105.03405	87.0
105.04499	48.4
105.07034	100.0
105.11077	11.1
106.06580	1.6
118.06513	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05493	13.4
81.07057	19.2
83.04921	0.7
83.08624	3.0
85.06501	0.9
91.05474	7.8
93.07043	15.9
95.04900	1.7
95.08606	15.5
97.06468	0.9
97.10120	0.9
98.06020	0.7
98.97890	0.6
98.98470	7.7
105.07025	6.1
107.08596	8.4
109.10153	6.7
111.08054	0.9
117.06963	1.7
119.08588	5.9
121.10148	7.2
123.11665	1.4
124.01546	1.7
130.09048	0.6
131.08559	2.8
133.10126	5.0
135.11693	4.6
137.13177	0.6
142.02649	1.2
145.10068	2.5
147.11661	3.1
149.09599	0.6
149.13249	2.9
152.05614	1.3
153.32449	0.6
155.01009	2.5
159.11598	1.4
161.13231	2.1
163.14891	1.1
172.88443	0.6
173.02101	2.1
173.13206	1.6
178.07227	1.7
184.07242	1.0
198.05223	2.1
216.06328	4.4
236.10988	0.6
243.21088	2.0
261.22131	7.8
265.47586	0.6
304.26370	9.4
317.24698	1.4
335.25800	100.0
336.26129	1.7
415.22485	5.1
433.23630	0.9
458.26672	49.6
459.26886	1.3
476.27753	76.7
477.28027	2.1
561.26959	1.4
730.43738	1.4
779.95172	0.7
892.48468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1059.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
76.18434	0.1
77.03941	0.1
78.04705	1.2
78.58223	0.1
79.05499	0.2
81.03418	5.6
84.92474	0.1
85.02911	2.1
86.09679	0.1
89.03918	16.1
91.05482	3.6
91.06020	0.2
93.07018	0.1
95.01332	0.1
95.04987	0.6
97.02898	2.8
97.06561	0.1
98.21503	0.3
99.00816	1.4
99.04453	1.4
103.03978	0.2
103.05469	0.4
105.03408	0.3
106.04166	0.8
107.04967	0.6
108.22643	0.1
109.02884	9.4
110.03681	0.2
115.03954	0.2
115.05468	0.1
117.03380	25.2
118.03709	0.2
119.04108	0.3
119.04946	4.4
121.02871	0.2
121.06492	0.3
123.04449	0.3
124.05243	0.1
125.02356	0.4
127.03922	8.8
129.04482	0.2
131.04933	0.2
134.03636	2.4
135.04434	1.6
137.06007	0.7
139.03899	0.1
145.02849	50.6
146.03214	0.4
147.04413	13.9
149.05988	7.5
151.03912	0.5
153.01749	0.1
153.07007	0.2
158.06013	0.8
159.04395	0.1
161.06029	0.2
162.03140	0.4
163.03918	0.6
165.05663	0.1
165.06989	0.6
169.05020	0.6
175.03906	0.2
177.05472	100.0
178.05858	1.1
179.03426	0.2
179.08611	0.1
181.06496	0.5
183.08051	0.6
186.03925	0.2
186.05519	3.1
186.07170	0.2
187.06017	4.2
187.07652	0.3
189.05467	0.3
192.80627	0.1
193.05003	0.1
198.06799	0.1
199.07567	0.2
201.05530	0.2
205.07056	1.1
207.02864	0.5
207.08099	0.3
209.06129	0.2
211.07535	0.9
213.09114	0.2
215.07199	0.2
217.04916	0.3
225.03896	0.8
228.07826	0.2
229.04890	0.1
234.06572	0.1
235.07716	1.0
241.08504	0.3
242.09433	1.0
243.04883	0.5
243.10184	1.5
252.07956	0.1
253.07089	0.2
255.06502	0.2
259.09714	0.4
261.07639	0.2
262.06253	0.3
263.07013	0.9
264.07898	0.2
265.08664	0.2
267.10339	0.7
272.10541	0.2
273.11072	0.2
277.08521	0.3
280.07144	0.2
285.05615	1.6
292.07098	0.1
293.07990	0.2
295.09729	2.2
303.07477	0.7
305.08023	0.3
311.08829	0.2
321.09888	0.2
323.09125	2.9
325.10727	0.2
341.10208	0.8
351.07263	0.1
353.10144	0.5
363.10693	0.5
381.11780	0.2
393.08054	0.2
411.09366	0.6
419.09677	0.2
429.10193	0.2
449.11356	0.3
479.11676	0.4
509.14297	0.2
527.15857	0.2
587.13849	0.4
635.18005	0.2
769.18707	0.2
799.20300	0.4
817.20642	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.26849	0.5
51.02378	1.1
53.03949	6.3
55.01872	0.6
56.76931	0.4
56.96566	2.2
62.99081	8.5
65.03933	1.1
67.05515	0.7
70.86207	0.7
72.52968	0.5
75.01036	0.9
77.03934	1.2
79.05494	100.0
80.05039	1.0
80.05827	0.6
80.68907	0.4
81.03405	0.5
82.01443	1.2
83.52364	0.5
84.01549	1.1
84.08133	0.4
85.51910	0.4
86.52708	0.6
91.05488	10.7
92.06269	0.5
93.02068	0.6
93.05791	0.6
95.04967	6.4
98.98256	0.4
100.02496	3.0
101.02595	0.5
102.02216	0.6
105.04508	3.2
105.07036	3.5
107.01651	0.4
107.04958	38.7
107.08579	4.7
108.04477	1.4
108.08105	1.5
109.06514	1.6
118.03530	1.4
119.06077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02369	0.4
53.03715	0.4
53.03948	5.3
55.01871	1.3
62.99084	1.0
65.03937	0.6
70.16128	0.8
73.33424	0.2
77.03933	1.7
79.05497	10.4
81.03391	0.9
91.05485	3.2
95.04974	6.0
96.22372	0.2
98.20851	0.3
105.04516	3.2
105.07020	1.1
107.04960	100.0
107.08609	1.7
108.05289	0.8
108.08139	0.3
109.06552	0.3
113.37092	0.2
119.06058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01580	0.2
51.02374	0.5
53.03950	5.5
55.01874	1.1
62.99075	0.3
65.03938	0.1
77.03937	1.6
79.05498	8.3
81.03410	0.8
91.05495	1.5
95.04977	5.5
98.21555	0.2
103.57381	0.1
105.04520	2.8
105.07046	0.5
107.04962	100.0
107.08577	0.7
108.05299	0.6
108.08128	0.2
109.06480	0.2
118.06553	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	1070.5579
Annotation	Unknow
Peak:m/z	Relative Intensity
74.60402	0.1
77.03941	0.2
79.05494	8.3
81.03421	0.1
81.07056	14.5
82.07394	0.1
83.04974	0.4
83.08620	1.5
85.06548	0.3
86.81308	0.1
91.04900	0.2
91.05483	4.8
93.07043	9.6
95.04974	0.7
95.08607	12.9
96.08942	0.1
97.06525	0.7
97.10163	0.5
98.06055	0.6
98.98441	0.4
99.08103	0.2
105.04516	0.3
105.07031	3.0
107.04986	0.1
107.08597	4.9
109.06502	0.4
109.10159	4.8
109.10934	0.1
111.08085	0.4
111.11731	0.1
117.07005	0.7
119.08579	2.2
121.10145	4.3
123.08068	0.2
123.11720	1.3
124.01597	0.3
125.09625	0.1
129.07030	0.1
131.08569	1.5
133.10124	1.7
135.08127	0.1
135.11693	2.5
137.09637	0.2
137.13269	0.3
142.02663	0.1
143.08591	0.1
145.10135	1.0
147.11690	0.8
149.09628	0.1
149.13287	1.0
151.11140	0.1
151.14737	0.1
159.11688	0.7
161.13260	0.7
163.11227	0.1
163.14838	0.4
173.02106	0.1
173.13263	0.6
175.14813	0.3
177.16393	0.1
187.14832	0.3
191.43460	0.1
198.05316	0.3
201.16348	0.2
216.06282	0.7
243.21303	0.1
261.22232	0.6
281.19937	0.1
304.26343	7.2
305.26627	0.2
335.25790	100.0
336.26129	1.8
419.99020	0.1
458.26749	1.0
459.54639	0.1
476.27747	5.7
477.27789	0.1
693.25793	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	1074.5901
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03945	0.1
79.05492	4.3
81.07055	16.3
82.07378	0.2
83.04982	0.6
83.08617	4.8
85.06543	0.5
85.10141	0.2
91.05481	3.0
93.07043	4.7
95.04969	0.3
95.08604	13.5
96.10323	0.1
97.06522	1.1
97.10161	2.4
98.06035	0.2
98.98486	0.4
99.08113	0.3
104.43539	0.1
105.04501	0.1
105.07028	2.4
107.08598	3.0
109.06522	0.2
109.10155	5.6
111.08080	0.6
111.11696	0.5
119.08574	2.2
121.10138	2.3
121.11024	0.1
122.97633	0.1
123.08079	0.3
123.11699	2.2
124.01621	0.3
125.09612	0.4
127.11157	0.1
131.08571	0.2
133.10124	1.9
135.11699	1.3
137.09604	0.2
137.13252	0.8
139.11140	0.2
147.11678	1.5
149.13272	0.7
150.97443	0.1
151.11150	0.1
151.14842	0.5
153.12715	0.2
161.13235	1.0
163.14844	0.5
165.12759	0.2
165.16432	0.1
175.14873	0.7
175.16211	0.2
177.16444	0.2
179.14357	0.1
184.07368	0.2
189.16429	0.2
198.05280	0.4
216.06328	0.6
231.17041	0.1
233.64212	0.1
245.22733	0.4
263.23727	0.8
306.27927	2.5
337.27353	100.0
338.27698	2.9
460.28049	0.9
478.29306	6.5
479.29480	0.1
534.46387	0.1
664.01379	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	1089.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03906	0.2
78.04709	1.3
79.05505	0.1
81.03415	4.9
82.16614	0.1
85.02905	1.5
89.03914	17.6
91.05482	0.8
92.68518	0.1
95.01343	0.1
95.04954	0.3
97.02891	2.6
97.03514	0.1
99.00811	1.2
99.04455	1.4
101.03923	0.1
103.03964	0.2
103.05460	0.5
105.03399	0.3
106.04161	0.8
107.04931	0.1
109.02879	7.4
110.03712	0.1
110.52714	0.1
111.04418	0.1
115.03912	0.2
117.03376	27.7
118.03718	0.1
119.04937	0.3
121.06516	0.3
123.04436	0.2
124.05189	0.4
125.02345	0.4
127.03914	6.8
129.04494	0.1
131.04883	0.2
134.03630	2.4
135.04408	1.7
137.05977	1.4
145.02843	51.8
146.03252	0.4
147.04413	0.4
149.05978	8.3
150.06322	0.1
151.03867	0.6
152.06265	0.2
153.07005	0.2
153.10898	0.1
158.06015	0.6
161.05974	0.2
162.03137	0.4
163.03937	0.6
169.04958	0.5
169.06454	0.2
174.56409	0.1
175.03880	0.1
175.07510	0.1
177.05464	100.0
178.05807	0.9
179.03403	0.3
181.04909	0.2
181.06490	0.4
186.05487	2.7
187.06003	3.4
187.07588	0.1
189.05412	0.2
193.05049	0.2
195.06535	0.2
195.08144	0.1
197.05989	0.4
199.03889	0.1
201.05508	0.1
205.07056	0.9
207.02753	0.3
207.04492	0.2
209.06120	0.1
211.07497	0.5
213.09030	0.4
214.06204	0.1
215.07048	0.2
217.04877	0.3
225.03831	0.6
233.05991	0.2
235.05878	0.3
237.09026	0.2
239.07167	0.2
241.08594	0.6
242.37564	0.1
243.04877	0.4
250.06274	0.4
253.06894	0.1
257.08023	0.2
258.08768	0.3
259.09680	0.3
261.07617	0.4
265.08527	0.9
267.06635	0.1
271.09595	0.2
272.10413	1.4
273.11212	1.4
278.05832	0.2
279.06467	0.2
281.15097	0.1
283.09744	0.2
285.05569	1.5
285.11230	0.2
292.07211	0.4
293.07993	1.3
294.08740	0.2
297.11224	0.3
303.07153	0.7
307.09586	0.3
309.11053	0.2
311.08994	0.1
313.09216	0.1
321.09793	0.3
325.10709	1.4
335.09048	0.4
346.77814	0.1
351.07147	0.1
353.10208	2.9
363.10648	0.6
371.11179	0.3
377.10040	0.2
381.11810	0.3
393.08557	0.1
411.09357	0.6
429.10132	0.1
479.12033	0.8
489.14011	0.1
497.14066	0.2
539.15424	0.2
557.16150	0.2
587.14252	0.6
605.14130	0.2
724.78778	0.1
751.22302	0.2
781.19330	0.2
799.20715	0.8
817.21185	0.2
1071.29639	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	109.0287
Annotation	o-Benzoquinone
Peak:m/z	Relative Intensity
50.01601	1.1
51.02372	2.4
53.03949	76.1
55.01867	1.9
55.05500	4.2
58.62467	1.2
59.18525	0.9
62.62411	0.9
63.06517	0.9
65.03931	4.8
67.05506	49.0
69.07069	2.2
69.45392	2.1
69.45792	6.4
74.99818	1.5
77.00160	1.9
77.99955	2.8
79.05489	12.4
81.03420	100.0
81.06593	1.7
81.07058	28.6
86.00695	6.4
86.50623	5.3
87.00471	10.8
87.07707	1.0
91.05482	8.9
94.04183	12.3
96.00992	1.4
103.19100	1.0
107.04972	5.0
107.08575	1.0
109.02134	2.1
109.02882	35.1
109.06521	43.9
109.07672	3.8
109.08470	1.4
109.10157	32.3
110.06053	2.1
111.96870	3.3
112.09284	0.9
113.96411	3.3
125.90961	1.1
129.97949	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0653
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03953	6.8
55.01875	3.3
55.05501	2.0
60.48129	0.4
65.03936	2.0
67.05508	20.0
69.07072	0.9
69.65946	2.6
74.99847	0.9
77.00202	0.9
77.50095	1.1
77.99940	1.7
79.05496	27.4
81.03416	7.6
81.07060	32.2
86.00694	3.1
86.50623	2.3
87.00468	5.4
91.05491	10.6
94.04163	2.4
95.04964	0.8
97.51453	0.7
98.01428	0.5
100.91735	0.5
101.40224	0.4
107.04990	0.7
107.08568	0.4
109.02879	2.3
109.06522	100.0
109.10156	11.1
110.06033	1.6
110.06808	0.8
111.96898	1.4
112.96777	0.5
113.96421	1.8
120.03591	0.4
129.97873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.03951	0.8
55.05512	28.8
56.05039	0.6
57.07068	1.6
58.06599	3.3
67.05513	1.3
68.30345	0.6
69.07069	100.0
70.06586	1.5
77.04246	0.6
83.04967	0.9
83.06117	1.8
88.00478	1.6
93.04530	0.6
97.01035	1.7
99.51239	0.7
100.30735	0.7
108.70869	0.6
111.04446	1.4
111.05588	4.6
111.06314	1.0
111.06709	0.5
111.07461	0.9
111.08160	0.7
111.09213	4.7
111.11730	0.9
115.96461	0.8
122.94021	0.6
123.41275	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.6069
Annotation	Unknow
Peak:m/z	Relative Intensity
78.50801	0.2
81.07067	0.3
86.09711	27.7
93.07043	0.3
95.08642	0.2
98.98476	3.3
104.10755	2.7
125.00011	20.5
142.97873	0.2
143.01025	0.3
184.07353	100.0
185.07706	0.5
352.26514	0.2
362.62793	0.2
383.40002	0.2
465.18802	0.2
473.19403	0.2
500.31445	1.9
518.32483	20.9
519.32703	0.7
745.28143	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	112.0509
Annotation	cytosine
Peak:m/z	Relative Intensity
53.03930	0.3
55.01866	0.7
55.05497	0.6
56.05027	1.0
56.96569	1.7
57.03422	0.4
58.99858	1.0
59.52197	2.3
59.93108	0.3
60.02228	0.2
62.02466	0.4
65.52187	3.7
66.52979	1.1
67.01875	0.4
67.02971	0.5
67.05499	1.1
68.01392	0.6
68.05021	1.5
68.52721	0.9
68.99783	0.5
69.03433	11.6
69.04552	6.2
69.07056	1.0
70.02956	1.6
70.06594	29.7
70.51405	0.3
70.94244	1.3
70.95863	1.3
70.99843	0.6
71.02988	6.4
71.04968	0.5
71.53069	0.5
71.94099	1.0
72.52944	0.7
73.01433	0.4
73.20107	0.3
74.52731	0.5
77.00915	0.5
78.99946	0.4
79.51939	1.8
79.99725	0.8
80.03500	0.7
80.52706	1.1
82.01447	6.3
82.06573	0.5
83.01510	0.6
83.05006	0.4
83.60728	0.3
84.01178	0.3
84.04508	1.0
84.08145	5.0
85.02919	0.3
86.52682	0.8
88.00484	2.1
88.50712	1.3
88.52459	0.4
88.95308	0.6
89.00259	16.7
89.00822	0.5
89.50384	0.8
89.56786	0.2
94.02923	0.6
94.04062	2.4
94.06563	0.5
94.24958	0.3
95.02454	18.4
95.06084	0.8
95.53217	0.3
96.00897	0.9
97.01025	0.9
97.51157	1.2
98.00779	10.2
98.20798	0.7
98.50832	0.4
98.97602	0.4
100.02485	14.5
100.51048	1.2
100.52428	0.3
101.00883	1.1
101.02533	1.4
101.53212	0.8
102.02214	0.8
105.58910	0.4
109.52967	0.4
112.05093	100.0
112.07601	26.4
112.08826	0.6
112.11278	0.9
112.89594	0.7
113.00021	1.5
113.02386	4.0
113.03463	1.9
114.04022	2.6
115.02456	0.3
115.96410	0.8
116.97227	0.3
116.98579	0.5
117.95992	5.5
118.03524	5.7
118.96764	1.8
119.01935	2.0
119.03609	0.8
120.03274	0.6
121.03631	0.3
123.04021	0.3
126.98809	0.8
131.01903	0.8
132.05061	1.7
134.66487	0.3
134.97812	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	cis-3-Hexenoic acid
Peak:m/z	Relative Intensity
52.37337	0.6
53.03941	1.7
55.01873	6.8
55.05516	6.2
57.03438	8.7
59.05000	9.0
62.03694	0.4
67.05512	5.2
69.03430	5.2
69.07069	100.0
70.06591	6.3
70.07408	1.1
70.62801	1.0
70.72204	0.5
71.05005	1.1
72.04511	0.6
72.93791	1.9
73.02923	0.5
73.06556	18.0
73.93835	1.4
74.93827	5.4
79.05497	16.4
80.05841	1.0
87.00833	1.5
87.04472	9.1
92.61507	0.4
92.94864	0.9
95.04967	0.8
97.02903	1.6
97.06530	53.3
105.38622	0.4
115.03933	7.9
115.05403	1.0
115.07569	7.9
115.08787	1.1
115.09514	8.5
115.96428	1.0
116.07124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.19901	1.3
51.02374	3.3
53.03948	47.1
53.90109	1.3
55.01872	3.3
55.05505	4.7
55.30072	1.3
58.06601	9.6
59.07380	10.7
63.69589	1.4
72.08157	35.9
77.03925	8.3
81.03416	3.2
87.04465	3.0
91.05487	9.6
95.04969	41.5
98.20723	3.2
100.11245	1.4
105.04513	22.5
116.05815	1.8
117.07021	1.8
118.06551	100.0
118.07285	4.9
118.08648	38.4
118.12270	3.3
119.08605	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03949	0.4
55.05514	15.5
56.05048	0.3
57.05815	0.9
58.06604	1.1
59.04997	0.3
59.07394	1.0
70.30527	0.8
72.08157	100.0
73.08492	0.6
91.05468	0.2
100.02528	0.3
106.05148	0.2
118.08662	6.5
118.12339	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91800	2.3
57.89391	2.3
61.29900	2.4
67.05495	3.8
69.03414	9.6
71.05045	6.1
72.24611	2.7
78.52928	3.2
82.01448	9.2
82.99840	3.7
83.01534	2.4
85.01440	2.5
87.04230	2.3
88.66330	2.5
91.05480	4.8
100.02489	14.5
101.00890	42.4
101.02557	5.3
107.05299	3.3
112.07539	2.9
118.03541	5.6
119.01068	6.6
119.01922	100.0
124.30237	2.6
129.03999	3.5
137.02974	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
66.52966	1.8
68.95282	1.4
69.03423	3.5
69.07067	2.6
70.24740	2.6
70.25136	2.5
71.02966	2.0
72.52980	5.9
73.02915	2.3
77.00919	1.6
77.52171	3.3
82.01447	10.1
82.12044	1.2
82.99849	5.2
83.01485	1.9
84.01199	4.5
86.52710	7.6
87.02785	1.2
91.05494	9.6
91.20217	1.2
93.47713	1.6
98.20808	1.5
100.02474	15.1
101.00890	50.2
101.02559	3.5
102.02252	4.6
102.05559	1.4
102.89729	1.1
103.62585	1.2
107.04927	1.4
107.53086	1.1
112.07581	1.6
114.04018	1.5
118.03539	4.6
119.01932	100.0
119.03503	10.5
119.04874	2.0
131.01945	2.7
137.02962	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.09368	0.7
53.03949	0.8
56.05056	0.6
65.03945	9.9
69.17931	5.4
73.02950	0.8
73.08508	1.1
74.06094	0.8
79.05488	1.8
91.05489	100.0
92.05026	1.0
92.05811	0.8
93.07023	0.6
102.06190	0.5
103.05476	2.0
104.06265	1.2
104.69112	0.5
105.04460	0.5
115.05496	0.7
117.07036	4.4
119.04935	31.3
119.06046	4.6
119.06844	1.6
119.08582	21.0
120.05397	0.6
120.08135	0.6
124.76852	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03944	2.3
65.03941	1.6
69.94571	1.8
77.02760	0.6
78.04723	1.2
79.05496	6.1
91.05491	69.5
92.05832	0.6
93.07056	5.5
95.04971	1.3
103.05475	9.4
104.06261	13.8
105.04523	1.2
109.06563	0.7
115.05471	3.7
117.07031	20.0
119.04949	1.5
119.06207	3.2
119.08591	100.0
131.06058	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03934	2.1
65.03940	2.1
65.76060	0.6
69.54672	3.1
73.08458	0.7
75.99643	0.6
77.03929	0.6
77.46799	0.5
79.05505	5.3
91.05486	73.2
92.05019	0.6
93.07048	4.1
95.04961	1.4
103.05471	7.9
104.06259	7.3
105.04523	1.0
115.05462	3.1
117.07022	16.2
119.04951	2.6
119.06094	2.5
119.08587	100.0
120.08125	1.0
120.08912	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21811	0.8
58.99852	1.8
59.00718	0.9
59.47038	0.8
68.53838	0.8
70.82485	1.7
73.73052	0.9
82.01453	61.3
82.99863	1.1
100.02493	100.0
101.00902	10.6
101.02596	1.3
118.02676	1.4
118.03533	26.8
119.01931	22.5
123.04102	1.2
127.49776	0.8
137.02972	3.6
142.03522	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	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01876	0.8
57.03439	1.0
58.99862	0.6
60.94477	0.2
61.02920	0.6
67.05486	0.2
68.05025	0.4
68.98293	0.2
69.03431	1.1
70.92721	0.3
70.93066	0.3
70.99863	0.2
73.02915	0.7
78.03457	2.6
78.52972	0.9
80.05020	26.4
80.52728	0.3
81.01907	0.6
81.03444	0.5
81.07053	0.2
82.01449	12.9
82.99844	0.5
83.01531	0.2
84.01251	0.2
84.52966	0.3
85.02922	0.7
85.53724	0.3
86.52691	0.4
87.01931	0.5
88.02679	0.8
88.52752	0.3
92.52715	0.3
93.01900	0.3
95.04992	0.4
95.06078	0.4
96.02435	0.3
96.04500	5.8
97.02915	1.1
98.52698	0.3
99.53461	0.3
100.02486	23.3
101.00883	4.6
101.01428	0.1
101.02594	0.7
102.01002	0.2
102.02409	1.2
104.52663	0.2
105.04472	0.2
106.02923	2.3
109.02863	0.2
111.02928	1.2
113.00873	1.0
115.02440	0.5
118.02696	0.3
118.03535	5.7
119.01927	6.2
123.05558	100.0
124.02447	0.7
124.03944	1.9
124.05907	0.7
127.03845	0.2
131.01939	1.5
132.48596	0.2
133.03499	0.2
137.02945	0.7
141.02615	0.2
141.54808	0.2
142.03499	1.6
143.01907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01861	1.9
55.11667	0.8
57.03428	2.7
58.99864	1.6
61.02910	1.5
67.05514	2.3
69.03424	2.9
71.28204	1.0
73.02894	1.6
77.03919	0.9
78.03437	1.0
78.52953	2.3
80.05022	12.6
81.01917	1.6
81.03409	1.7
81.07034	1.1
82.01449	49.8
82.99857	2.0
83.01505	1.9
85.02921	1.3
86.52692	1.0
88.02670	1.4
92.46758	0.8
93.01904	1.3
95.04990	6.5
96.04498	3.4
97.02887	2.6
100.02485	100.0
101.00883	13.0
101.02557	2.5
102.00907	1.0
102.02369	2.0
105.03402	1.3
106.02904	2.1
109.02873	1.0
111.02917	0.9
111.26385	0.8
113.00861	1.2
118.01144	1.0
118.03525	29.5
119.01926	25.9
123.04436	13.6
123.05550	51.1
123.08035	1.1
124.02478	1.5
124.03938	3.4
131.01921	4.4
137.02975	4.9
142.03508	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
52.72091	0.1
52.98072	0.1
53.03947	0.5
55.01867	0.5
57.03435	0.5
57.75169	0.1
58.99858	0.2
61.02925	0.4
65.52171	0.1
67.05041	0.2
68.05047	0.3
69.03424	0.6
70.99837	0.2
71.44474	0.3
73.02906	0.5
78.03461	2.4
78.52961	0.4
79.04244	0.3
80.05022	24.6
80.55656	0.1
81.01896	0.2
81.03439	0.3
82.01448	8.1
82.99860	0.3
85.02919	0.4
87.01897	0.3
88.02674	0.7
93.01903	0.2
93.53471	0.1
95.04977	0.2
95.06081	0.2
96.04500	6.1
96.05128	0.3
97.02891	0.6
98.52728	0.2
99.53455	0.2
100.02486	14.7
101.00891	2.6
101.02579	0.5
102.02365	0.5
102.52458	0.2
105.04530	0.3
106.02917	2.0
109.02882	0.2
111.02950	0.4
113.00853	0.3
115.02429	0.4
118.03525	3.5
119.01930	4.0
120.01973	0.2
120.72655	0.2
123.05557	100.0
124.02454	0.2
124.03961	1.5
124.05883	0.7
125.02460	0.2
131.01942	1.0
133.03499	0.2
137.02933	0.5
142.03474	0.9
143.01926	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
55.05503	1.7
58.78019	0.4
59.31242	0.4
65.03918	0.7
67.05511	14.3
69.03449	0.5
70.91196	1.0
77.03895	0.7
79.05499	6.3
80.05020	5.1
80.06276	1.1
80.47337	0.5
81.03410	0.6
81.07069	3.8
82.01444	1.2
90.04735	0.4
91.05479	0.9
93.07055	2.7
95.04979	8.5
95.08615	33.0
96.04484	1.8
100.02489	2.8
103.05468	1.3
105.04517	1.1
105.07032	11.5
105.31540	0.4
107.04955	6.1
108.05748	41.9
118.03514	0.6
121.06507	7.4
123.04475	2.4
123.05580	17.3
123.08075	100.0
124.03984	3.0
124.08417	1.3
125.05978	0.8
130.72693	0.4
135.05588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03952	4.9
55.01860	1.1
55.05267	0.7
55.05513	9.9
57.03436	0.7
57.07071	0.5
65.03931	2.1
67.05506	51.1
69.03408	0.8
70.17860	0.8
70.18233	1.5
77.03917	1.4
78.03440	1.4
79.05499	7.6
80.05019	13.7
80.06271	1.0
81.03077	0.4
81.03426	5.5
81.07059	10.5
82.01441	3.6
91.05496	2.4
93.06484	0.9
93.07043	11.4
95.04968	49.9
95.08609	43.7
95.09074	0.7
95.09245	0.9
96.04494	6.1
96.08900	0.5
100.02486	11.0
103.05468	0.6
105.03396	1.1
105.04529	2.5
105.07022	2.7
106.02880	1.2
107.04977	1.1
108.05737	3.2
112.03967	0.7
118.03545	2.8
123.04459	9.4
123.05555	57.0
123.08066	100.0
123.11683	2.9
124.03958	9.0
124.07623	0.8
124.08454	0.9
140.03424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
51.94185	0.5
53.03947	2.2
53.91968	0.4
55.05517	2.4
67.05513	15.8
69.03423	0.5
70.56160	1.4
75.15981	0.5
76.90519	0.5
77.03927	1.0
79.05505	6.9
80.05045	3.8
80.06284	1.9
81.07071	5.4
82.01449	1.4
88.28059	0.5
91.05493	0.6
93.07056	3.6
95.04982	10.0
95.08618	31.4
95.62194	0.5
96.04492	1.4
100.02494	2.6
103.05476	1.7
105.07041	11.6
107.04975	6.3
108.05750	42.1
118.03521	0.9
121.06530	8.1
123.04489	2.4
123.05579	16.6
123.08082	100.0
124.03995	2.5
124.08394	0.8
125.06022	0.8
132.24564	0.5
135.05568	0.9
140.03470	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0808
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02380	0.6
53.03949	4.1
55.01869	1.7
55.05518	11.2
62.99067	0.7
65.03951	2.0
67.05511	51.8
68.17182	0.7
71.51682	1.1
76.28918	0.6
77.03925	0.8
78.03461	1.9
79.05502	6.7
80.05023	28.7
80.05499	1.4
80.06279	0.7
81.03428	5.6
81.07062	20.5
82.01461	3.4
86.73746	0.7
88.11630	0.6
91.05471	1.7
93.07045	9.3
95.04976	49.7
95.08616	42.5
95.60819	0.7
96.04497	10.6
99.68947	0.7
100.02489	14.6
105.04542	1.6
105.07032	3.3
106.02917	1.9
108.05753	2.8
112.03986	1.3
112.47306	0.6
118.03537	6.8
119.01919	0.7
123.04475	11.2
123.05564	100.0
123.08075	92.9
123.08811	1.4
123.09945	1.0
123.11692	4.9
124.03964	15.1
124.07596	1.4
124.08434	1.4
140.03456	0.8
144.26508	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.45946	0.8
53.03954	7.6
55.01853	1.0
55.05275	1.0
55.05514	15.0
57.07064	1.2
61.05223	0.8
65.03937	2.9
66.24442	0.9
67.05508	72.0
71.09386	1.1
71.09724	1.4
77.03938	1.1
78.03457	2.6
78.40618	0.7
79.05493	10.6
80.04583	1.1
80.05023	19.6
80.06261	1.0
81.03428	4.0
81.06593	1.6
81.07061	30.4
82.01443	3.6
82.46289	0.7
91.05473	2.6
93.07053	14.7
94.07839	0.8
95.04975	63.6
95.08612	72.9
96.04511	7.7
96.08871	0.8
100.02498	9.8
105.04522	2.6
105.07065	4.4
106.02888	1.4
107.04945	1.8
108.05750	9.0
112.03947	1.3
118.03524	4.5
121.06505	1.0
123.04450	16.9
123.05556	72.4
123.08070	100.0
123.11708	11.8
124.03950	10.9
124.07571	2.2
124.08372	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33374	0.3
58.99868	0.4
70.99850	0.9
71.09336	0.4
73.55740	0.2
78.03458	1.1
80.05021	3.7
82.01437	1.6
82.99844	6.5
83.01505	2.3
84.01199	0.5
89.00879	0.3
96.04478	1.8
100.02496	1.8
101.00885	53.8
101.02565	4.3
102.00957	1.1
102.02246	1.1
111.00446	0.6
118.03522	0.4
119.01924	100.0
120.02035	1.5
121.01617	0.4
121.02419	0.3
124.02463	1.6
124.03956	27.9
124.05883	0.8
124.07582	0.4
124.08707	0.3
129.47969	0.3
133.03455	0.5
137.02960	15.7
138.03110	0.3
142.03494	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	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33374	0.3
58.99868	0.4
70.99850	0.9
71.09336	0.4
73.55740	0.2
78.03458	1.1
80.05021	3.7
82.01437	1.6
82.99844	6.5
83.01505	2.3
84.01199	0.5
89.00879	0.3
96.04478	1.8
100.02496	1.8
101.00885	53.8
101.02565	4.3
102.00957	1.1
102.02246	1.1
111.00446	0.6
118.03522	0.4
119.01924	100.0
120.02035	1.5
121.01617	0.4
121.02419	0.3
124.02463	1.6
124.03956	27.9
124.05883	0.8
124.07582	0.4
124.08707	0.3
129.47969	0.3
133.03455	0.5
137.02960	15.7
138.03110	0.3
142.03494	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	125.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01167	0.8
52.18048	0.7
53.03940	1.0
55.05519	18.0
55.19538	0.7
56.05033	1.3
57.07079	6.6
67.05498	1.7
68.04998	0.8
69.07073	100.0
69.15665	7.5
70.06564	1.0
72.78490	0.8
80.05044	1.0
82.06570	1.0
83.06114	11.6
83.08151	1.2
83.08624	20.1
84.04498	1.9
84.05614	1.5
84.06423	1.1
84.08138	1.3
97.07661	1.4
98.20815	2.2
105.26517	0.7
107.06078	1.0
108.04459	3.1
125.04256	1.8
125.06012	1.8
125.07104	5.0
125.08254	9.0
125.09051	24.4
125.10688	4.8
126.05512	2.8
126.09258	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.5424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01874	10.5
55.05515	7.1
57.03424	18.0
61.02908	6.2
65.03930	8.4
67.05502	18.4
68.05038	3.6
69.03423	19.3
69.07066	10.2
69.20663	33.1
70.03780	7.6
70.06582	9.4
71.02978	13.9
72.04142	3.6
73.02908	13.0
78.52978	8.3
81.01912	7.9
81.03412	15.0
81.07040	6.8
82.01472	36.3
83.01509	4.9
84.04498	5.1
84.52927	7.5
85.02908	6.2
85.04813	8.0
85.08476	9.6
86.09704	26.1
86.52701	7.4
88.02674	8.9
89.02350	5.0
91.05479	10.5
93.01884	14.8
93.53479	7.8
94.54192	4.2
95.04974	6.7
95.08590	11.5
96.04240	4.4
97.53715	4.2
98.52697	6.2
98.53603	5.8
99.03712	6.0
99.04423	5.8
99.53474	13.2
100.02491	100.0
101.00875	16.0
101.02544	14.2
101.53166	5.2
102.02321	22.4
103.02431	5.6
103.05462	35.7
105.53443	6.6
106.05087	6.0
106.54274	8.7
109.02872	5.7
110.54466	8.1
111.02908	9.5
111.04337	6.4
112.07611	6.8
113.07968	20.7
113.53284	4.7
115.02468	8.9
117.03969	7.3
118.03535	33.2
119.01901	20.8
119.53155	10.3
120.03391	11.1
120.04784	12.4
120.53977	4.8
122.53736	7.8
126.03970	4.5
129.03986	6.2
131.01945	20.4
131.04950	6.7
131.08464	5.0
132.05121	6.8
142.03503	14.8
143.01839	6.5
144.05057	4.7
147.04997	9.6
149.06538	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	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
69.07072	3.2
70.80463	1.4
82.60033	0.4
86.09710	100.0
87.10042	0.8
94.07924	0.4
130.78532	0.4
132.10240	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05502	1.5
65.03922	0.6
69.32318	1.7
69.32722	0.8
70.06584	0.9
79.05491	4.8
81.04564	0.5
82.05326	0.4
87.02695	0.4
88.65756	0.4
91.05489	14.7
93.07052	4.1
95.04966	0.9
103.05477	2.9
105.07037	48.2
106.07368	0.8
107.08582	1.0
112.02206	1.0
113.02936	0.4
115.05465	4.6
116.06239	0.9
117.07032	5.4
118.07821	6.1
123.07947	1.6
131.08577	6.5
133.06500	2.5
133.10139	100.0
134.06030	0.6
134.10486	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03933	1.3
55.01855	0.4
55.05497	1.6
65.03929	0.6
67.05498	0.7
69.34653	3.1
70.06582	1.3
74.02431	0.5
79.05494	4.5
88.02209	1.0
89.03967	0.4
91.05480	15.3
93.07047	3.6
94.20616	0.4
95.04990	0.6
97.02852	0.4
103.05458	2.3
105.07034	43.9
106.07345	0.6
107.08626	0.9
112.02180	1.2
115.05469	4.6
116.06229	1.1
116.06999	0.4
117.07026	5.2
118.07809	6.1
123.07933	2.2
129.06972	0.4
131.08575	5.3
133.06494	2.7
133.10132	100.0
134.10455	1.3
144.04753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01886	4.6
57.03443	48.0
57.05548	3.4
58.99864	4.8
61.02917	4.9
69.03432	15.0
69.29961	6.3
69.30359	29.0
70.99865	5.2
72.52975	11.7
73.02933	34.4
77.00909	3.8
77.52186	10.1
78.52972	7.8
81.03416	5.9
82.01449	31.0
82.99840	7.5
84.52975	4.5
85.02900	9.1
85.53701	4.8
86.52711	59.0
87.02787	5.2
88.02689	17.0
92.52711	5.8
93.01901	23.7
93.52023	4.6
93.53458	5.4
93.64541	4.4
95.53237	32.2
96.03332	4.5
98.03448	4.8
99.04501	4.8
99.53460	7.1
100.02489	43.6
101.00884	53.2
102.00971	6.8
102.02412	25.5
103.00648	5.0
111.02955	23.1
113.00881	20.3
113.53220	7.0
115.02441	7.2
118.03526	14.0
119.01154	5.9
119.01936	60.9
120.02046	11.6
121.01694	6.5
122.53737	11.0
124.02470	38.2
131.01921	33.0
132.02094	4.2
133.03519	6.8
137.03015	6.5
139.27840	3.6
142.03514	100.0
143.01909	12.3
143.03670	16.4
152.86412	3.8
154.03535	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03942	3.6
55.01878	20.4
57.03414	2.5
65.03938	9.4
67.05513	9.1
69.03431	20.1
71.26090	2.4
79.05497	58.0
91.05487	100.0
92.06290	3.2
93.07037	19.9
95.04969	6.7
100.95452	1.8
105.04533	1.9
105.07036	39.8
107.05007	9.4
107.08598	87.2
109.06536	16.3
115.05461	33.1
117.07014	29.5
119.06068	14.6
119.08608	3.8
135.04417	7.5
135.05521	3.1
135.08063	75.9
135.11682	6.3
136.02190	12.9
136.06181	14.7
145.95241	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	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
51.02373	1.9
52.82954	1.4
53.03945	7.3
55.01874	13.5
55.05502	4.6
65.03940	11.9
67.05505	9.2
69.03432	13.8
69.07108	1.8
79.05496	77.2
81.07066	2.1
87.07318	1.3
89.03920	2.5
91.05483	100.0
92.06264	3.8
93.07045	44.0
95.04978	10.1
101.77109	1.4
105.04549	1.9
105.07034	39.3
107.04967	14.2
107.08596	99.1
108.08923	1.7
109.06511	12.8
115.05465	26.4
116.06225	1.5
117.07021	26.8
118.06562	1.2
118.74492	1.3
119.06044	11.1
119.08559	6.6
120.05717	2.8
135.04414	14.7
135.05478	3.0
135.08058	77.0
135.11687	23.7
136.02161	19.8
136.06192	20.7
136.07558	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.38637	2.0
53.03935	8.6
55.01862	6.1
55.05515	10.9
57.07077	2.3
60.46072	1.8
65.03929	4.1
67.05180	2.9
67.05506	34.8
69.07059	6.0
69.97350	6.9
70.23470	2.2
77.03890	2.2
79.05498	80.9
81.07064	22.5
91.05486	47.0
92.02576	2.0
93.07050	100.0
94.44958	1.9
95.04982	11.6
95.33228	1.8
105.04529	3.7
105.07028	11.7
107.04990	15.6
107.08601	72.0
108.04480	2.5
109.06525	2.1
115.05437	9.2
117.07016	10.1
119.03470	2.5
119.08596	3.1
119.39270	2.0
121.80868	1.9
133.10138	2.9
133.63841	1.9
135.04417	17.4
135.05540	5.0
135.08066	33.8
135.10707	4.2
135.11700	64.8
136.02171	34.1
136.06195	31.5
136.07559	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	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53797	1.5
51.98814	1.5
53.03938	5.9
55.01875	3.6
55.05518	7.8
66.99233	1.5
67.05512	50.6
69.07079	11.3
70.04575	1.5
70.04903	7.8
74.60401	1.5
79.05500	62.0
81.07072	24.8
82.76204	1.6
91.04983	2.4
91.05496	28.6
93.07052	100.0
94.15726	1.9
95.04974	5.6
98.20779	1.6
105.04551	3.1
105.07058	7.8
107.04961	9.5
107.08601	70.7
109.06597	2.0
112.32286	1.5
114.04259	1.7
115.05426	1.9
117.07074	1.8
119.08594	13.6
120.09379	3.5
135.04422	10.4
135.05495	3.5
135.08105	12.6
135.09055	2.5
135.11707	96.6
136.02191	19.1
136.05223	2.7
136.06207	25.0
136.07610	4.5
136.11177	2.0
136.12135	2.1
137.04562	2.4
149.56647	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
51.65775	1.1
53.03935	4.1
54.70870	1.2
55.05515	7.6
62.01518	1.1
65.03928	1.5
67.05525	2.4
69.07056	2.4
69.26954	1.1
70.86750	1.8
70.87061	1.4
74.38318	1.1
75.09161	1.1
77.03911	1.3
79.05499	18.4
81.07055	2.1
81.86921	1.2
91.05483	41.4
93.07047	44.5
95.04965	3.8
103.05493	1.5
105.06394	2.1
105.07037	22.3
106.04176	1.3
107.04961	3.6
107.08597	100.0
108.08887	1.5
109.06516	5.0
110.02094	1.2
115.05457	1.8
117.07021	4.1
119.06056	4.1
119.08579	17.2
120.09399	6.5
133.10146	1.8
135.04439	4.1
135.08049	16.7
135.11700	39.0
136.02170	3.8
136.06224	2.9
142.97919	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.1
55.05321	0.8
55.05514	8.8
56.59933	0.8
57.07061	1.2
65.03934	1.6
67.05489	3.6
69.07071	4.7
71.48201	1.2
73.56060	0.9
77.03924	1.7
79.05492	20.7
81.03455	1.3
81.07062	5.2
84.93064	0.8
89.77640	0.8
91.05480	35.5
93.07043	68.8
95.04984	4.4
95.08614	1.0
105.04523	2.2
105.07032	17.7
106.07793	1.6
107.04990	5.0
107.08591	100.0
108.08939	0.9
109.06519	4.0
112.94396	0.9
115.05447	1.9
117.03423	1.0
117.06989	2.9
119.03528	1.4
119.06081	4.5
119.08585	8.8
120.09365	4.1
133.10135	1.2
135.04416	8.1
135.05444	2.0
135.08076	9.2
135.11685	65.5
136.02173	8.4
136.06203	9.3
136.07570	2.0
136.11995	1.4
138.12843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03930	4.6
55.01853	3.9
55.05515	10.2
59.02717	1.3
65.03926	2.8
67.05484	4.8
69.07066	3.6
69.86430	2.6
69.86839	4.7
79.05497	34.1
81.07037	5.6
85.90006	1.2
89.03902	3.4
91.05485	42.0
91.14536	1.1
91.40827	1.3
93.07048	63.6
95.04993	7.1
105.04537	1.7
105.07039	20.1
107.04959	13.2
107.08598	100.0
108.08903	1.8
109.06511	5.3
115.05445	2.6
117.06993	4.2
119.06042	4.2
119.08569	11.0
120.09377	3.4
135.04408	11.7
135.05521	4.3
135.06500	1.8
135.08084	15.0
135.11694	42.2
136.02162	14.1
136.05173	1.9
136.06187	18.9
136.07315	2.2
136.07556	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03934	6.5
53.19314	1.6
55.01503	1.9
55.01870	1.8
55.05524	8.7
67.05507	24.4
69.07062	7.0
69.67193	3.7
69.67596	6.7
77.03918	2.3
79.05497	66.8
81.07056	22.1
91.05476	28.8
93.07047	100.0
95.04966	5.0
98.21494	3.0
100.97020	1.8
105.07027	10.2
107.04977	8.5
107.08600	71.8
109.06528	1.9
117.07063	2.9
119.06090	2.3
124.51212	2.1
135.04436	6.0
135.05452	1.8
135.08081	18.4
135.11696	90.4
136.02145	13.2
136.06163	12.4
140.19749	1.8
148.58385	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.84531	1.8
53.03937	5.2
55.05520	10.6
57.07057	2.2
58.08316	2.0
65.03929	3.1
67.05507	43.1
69.03407	2.2
69.07044	6.6
70.64626	5.3
78.16190	1.8
79.05497	63.6
81.07059	26.8
89.03957	2.2
91.05491	29.7
93.07045	100.0
95.04971	6.3
105.04578	2.1
105.07027	12.8
107.04948	8.3
107.07877	3.9
107.08594	66.2
109.01105	2.8
112.03448	1.7
115.05485	2.5
117.07053	3.1
119.08601	11.2
120.09352	4.7
135.04422	12.2
135.05414	2.7
135.06573	3.2
135.08096	17.3
135.09058	3.2
135.11694	89.0
136.02161	26.5
136.05165	4.2
136.06186	26.7
136.07506	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.43717	2.5
53.03938	8.4
55.05500	10.7
55.43575	2.2
56.71744	2.3
64.20653	2.1
67.05505	17.5
69.07065	5.5
71.05815	2.9
71.52692	2.1
71.53106	2.8
79.05496	62.3
81.07056	17.9
89.15244	2.7
89.53342	2.2
91.04977	3.6
91.05485	38.9
93.07050	100.0
93.07643	5.4
93.35262	2.5
95.04967	9.3
105.04498	3.0
105.07030	6.7
107.04941	5.5
107.08600	57.1
112.76891	2.4
135.04417	7.7
135.05515	4.8
135.08138	14.2
135.09030	2.9
135.11703	57.5
136.02187	27.1
136.05170	4.1
136.06184	38.7
136.07562	7.7
136.11186	3.3
153.26151	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	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26598	0.2
70.11617	0.9
70.12003	0.5
72.84703	0.2
75.98309	0.2
94.04062	2.6
109.05127	0.4
113.39832	0.2
119.03555	8.0
131.01953	0.3
136.06190	100.0
137.04597	3.5
137.06578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
53.92908	0.2
58.43265	0.2
71.02206	0.5
72.37776	0.2
79.13660	0.2
94.04073	2.4
109.05157	0.6
119.03558	7.9
121.41251	0.3
136.06190	100.0
137.04610	2.7
137.06555	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02396	0.4
53.03951	1.1
55.01876	0.6
59.90858	0.2
65.03945	1.0
65.69041	0.2
66.04726	2.7
67.05505	0.4
70.57676	0.7
76.50343	0.2
77.03937	0.7
79.05497	3.1
81.07064	1.7
91.05487	2.7
94.04189	27.5
95.04985	0.7
105.03389	0.5
105.47268	0.2
107.04964	1.2
109.06512	0.7
111.16814	0.2
122.03651	47.5
123.03992	0.5
135.04427	0.3
137.05980	100.0
138.06322	1.5
154.35423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
53.03946	0.7
55.01871	0.5
56.96580	0.5
65.03943	5.7
67.05532	2.4
70.09461	2.0
79.05504	3.7
81.07064	7.7
91.05489	100.0
92.05838	0.6
93.07047	3.6
94.04205	1.6
95.04983	1.5
95.08611	2.2
96.27023	0.5
107.05003	0.6
109.06520	6.6
109.10202	0.7
119.04956	37.4
122.03664	1.8
134.60788	0.4
137.02437	1.9
137.05963	48.6
137.09618	1.4
138.05542	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03947	0.9
55.01864	0.3
56.26001	0.3
65.03954	0.9
66.04725	3.0
67.05518	0.6
70.05730	0.8
70.06104	0.4
77.03951	0.6
79.05504	2.9
80.89931	0.2
81.03426	0.3
81.07072	1.8
91.05492	2.7
93.07037	0.4
94.04192	27.2
95.04467	0.4
95.05008	0.5
95.08609	0.5
105.03418	0.3
107.04977	1.4
109.06535	0.9
119.04983	0.3
122.03657	47.1
123.04020	0.5
135.04436	0.4
137.05984	100.0
138.06363	1.4
158.69604	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.02395	2.2
53.03939	7.6
54.82495	2.3
55.01876	12.3
55.05521	11.8
57.03433	2.4
62.96609	1.9
65.03930	6.2
67.05509	100.0
67.49966	1.8
69.03424	8.1
69.07070	8.0
70.50343	2.5
70.50704	6.3
70.83840	2.0
77.61073	2.2
79.05500	20.4
81.03425	4.7
81.06593	3.7
81.07061	64.2
81.52088	2.1
85.33281	2.1
91.05491	65.9
93.07047	31.4
94.04207	9.6
94.06586	2.9
95.04978	29.2
95.08607	34.4
105.04513	2.7
105.07028	9.4
107.04966	9.6
107.08596	66.4
108.05751	3.0
109.06524	72.2
109.10166	84.3
110.06033	4.3
117.07043	4.9
119.04951	8.8
119.06059	5.8
119.08574	32.6
120.78463	2.6
122.03651	7.9
122.07294	19.1
123.97719	2.4
137.02457	14.5
137.05922	40.3
137.09624	98.0
137.11560	8.3
138.05502	11.1
138.09149	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03955	2.9
55.01868	7.0
55.05506	10.2
57.03438	4.1
65.03932	6.6
67.05507	100.0
69.03430	8.1
69.07051	6.9
70.76410	5.0
73.61908	2.0
79.05509	15.5
81.03436	3.8
81.07063	41.0
86.94995	2.3
91.05486	45.4
93.07050	28.9
94.04176	5.6
95.04961	21.3
95.08604	24.9
104.06194	2.2
105.07053	14.6
107.04984	6.4
107.08600	71.0
109.06526	66.2
109.10163	87.9
116.31638	2.3
117.07018	3.7
119.06071	7.8
119.08587	35.1
122.03634	4.9
122.07270	6.2
137.02388	5.1
137.05954	17.6
137.09633	75.9
138.05518	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03952	3.5
55.01861	2.3
55.05516	4.0
65.03928	2.3
67.05506	48.3
69.03406	2.6
69.07056	2.1
70.75047	0.7
70.85059	1.8
76.11707	0.7
79.05488	7.5
81.03419	3.8
81.07058	19.5
83.04972	2.5
89.76360	0.7
91.05479	23.2
92.15446	0.8
93.07054	6.6
94.04198	1.8
94.07812	1.7
95.04965	10.6
95.08608	10.6
103.05481	1.6
104.06241	0.9
105.07047	1.1
107.04955	10.9
107.08599	4.1
108.05724	1.5
109.06522	40.9
109.10161	43.3
117.07022	3.2
119.04943	2.9
119.06066	2.3
119.07803	1.2
119.08583	13.3
121.06509	5.0
122.07291	49.7
135.08049	2.5
137.02475	1.1
137.05940	5.8
137.09618	100.0
138.05501	1.9
138.09961	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	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03941	2.2
55.01860	1.4
55.05511	4.5
57.03445	1.0
65.03939	1.6
67.05508	41.8
69.03433	2.5
69.07057	3.4
71.52039	1.4
74.73663	0.9
77.03957	0.9
77.55906	0.7
79.05499	6.0
81.03416	3.4
81.07062	17.2
91.05488	22.8
93.06466	1.2
93.07046	11.8
94.04188	2.1
94.07838	0.9
95.04966	9.1
95.08607	15.6
96.08006	0.8
101.19160	0.8
103.05446	1.2
107.04956	12.1
107.08595	6.2
109.06529	18.0
109.10161	39.1
110.10486	1.0
117.07028	1.5
119.04949	3.2
119.06041	2.1
119.08578	14.9
121.06516	4.0
121.90341	0.8
121.91209	0.9
122.03635	2.6
122.07291	54.9
130.03346	0.9
131.55153	1.0
134.05122	0.8
135.08061	2.2
137.02507	4.3
137.05899	11.1
137.09622	100.0
138.05513	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	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73410	0.6
52.99213	0.7
53.03947	1.3
55.05513	1.7
56.55811	0.7
57.45209	0.7
60.52326	0.6
65.03934	1.4
66.45343	0.7
67.05510	24.1
69.03416	1.3
69.07066	1.7
71.05769	1.8
74.77172	0.8
79.05501	4.6
79.52868	0.6
81.03419	1.3
81.07067	14.7
91.05485	15.6
92.81080	0.7
93.07044	6.7
94.04146	1.3
95.04973	4.5
95.08607	10.4
107.04951	9.2
107.08608	1.5
109.06541	4.9
109.10160	32.7
110.06036	1.1
110.10500	0.7
117.07070	1.7
119.04940	3.0
119.08586	11.5
121.06490	5.1
122.03669	2.0
122.07293	60.9
127.28759	0.8
131.16679	0.7
135.08058	2.3
137.02519	4.8
137.05927	9.9
137.09624	100.0
138.05545	3.4
138.10004	1.9
139.07556	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1327
Annotation	2,4(8)-p-Menthadiene
Peak:m/z	Relative Intensity
50.36911	1.2
52.06815	1.4
53.03962	2.3
53.26276	1.2
55.05509	3.6
57.07076	4.0
65.03928	3.7
67.05509	61.3
69.07066	6.1
71.52437	1.9
79.05499	13.4
81.03410	2.2
81.07062	100.0
91.05494	21.2
93.07034	11.7
93.57158	1.3
94.04194	6.4
95.04960	3.3
95.08612	75.5
95.18691	1.4
106.59400	1.6
109.06524	5.8
109.10177	6.2
116.42309	1.5
119.04947	4.5
119.08612	2.4
122.03655	8.2
122.07276	2.5
137.02498	6.8
137.05945	35.1
137.06929	2.2
137.09636	16.0
137.13252	10.3
138.05540	8.3
138.09138	1.7
141.25131	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	138.0551
Annotation	Trigonelline
Peak:m/z	Relative Intensity
53.03947	0.3
58.75695	0.2
65.03934	0.4
67.05495	0.7
70.15993	0.7
70.16321	0.2
71.52428	0.2
78.03449	0.4
83.35683	0.2
92.05012	5.9
93.05793	0.5
94.06571	12.9
96.04494	1.6
110.06049	6.6
136.03943	0.2
138.05505	100.0
139.05861	1.1
154.05031	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
57.03435	0.4
65.03939	0.7
67.05500	0.6
69.03432	0.6
70.86687	0.7
77.00892	0.4
78.03445	0.5
80.52663	0.4
82.01449	0.5
84.04507	0.8
87.01910	0.7
88.02660	0.5
92.05009	4.6
93.05767	0.8
93.34827	0.4
94.06573	13.4
96.04498	3.0
100.02489	1.2
101.00892	1.1
102.02313	0.9
110.06051	7.4
111.04453	0.5
113.00856	0.4
115.00629	0.5
115.02436	1.1
118.03587	0.5
119.01913	1.2
120.08056	0.5
121.01658	0.6
122.49462	0.5
131.01953	0.7
133.01659	1.4
133.03455	3.7
138.05504	100.0
138.09105	1.4
139.05862	1.1
140.03406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0754
Annotation	1-(4'-Hydroxyphenyl)ethanol
Peak:m/z	Relative Intensity
53.03948	6.9
55.01871	1.7
55.05501	3.5
55.80711	0.7
56.96305	1.0
56.96568	15.8
57.93573	1.1
65.03944	6.1
67.05495	3.3
69.03430	4.5
69.04543	0.9
69.07062	0.9
69.21173	1.4
69.21578	6.0
69.36006	0.8
71.95258	1.3
77.03939	1.3
77.45755	0.8
79.05486	1.7
81.03418	0.8
82.12195	0.7
83.04995	4.7
83.83991	0.8
91.05484	20.9
91.84557	0.8
93.03407	4.4
93.04523	1.0
93.07049	28.0
95.04974	9.3
95.06077	1.2
95.08624	1.1
96.05715	0.8
97.02899	1.7
97.06532	3.4
98.97585	10.2
98.98467	6.2
103.05454	1.0
105.04517	3.0
111.04445	13.0
111.08095	4.1
112.07616	0.8
113.08857	0.8
115.08008	0.9
116.97243	2.5
116.98616	5.8
121.02896	2.8
121.04111	3.6
121.06512	100.0
121.10159	1.6
122.06027	1.3
122.06864	1.3
123.04432	4.3
124.05213	62.5
125.05511	1.1
134.99684	3.5
139.03906	5.1
139.05061	2.7
139.07547	84.3
139.11176	3.2
140.03444	1.4
140.07962	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61987	6.0
71.01786	12.0
82.99841	9.7
88.13964	7.5
101.00893	66.5
119.01925	100.0
124.02444	10.3
137.02951	12.5
142.03510	51.5
157.67891	6.1
160.04462	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49233	41.6
82.99842	9.8
101.00903	64.4
119.01933	100.0
124.02441	7.8
137.02936	14.6
142.03513	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	6.8
58.63442	5.6
60.71254	5.6
69.03435	13.5
71.15632	17.5
71.38233	6.5
82.99886	9.9
101.00888	64.6
112.07610	23.9
119.01933	100.0
119.02724	9.5
125.02377	10.6
137.03001	9.8
141.57271	14.8
142.03484	49.2
142.08644	8.8
143.03415	42.7
158.06644	7.1
159.06754	14.7
160.04593	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	142.0865
Annotation	Arecaidine
Peak:m/z	Relative Intensity
53.75334	0.5
55.01884	2.6
55.05531	0.8
56.05051	0.7
56.96602	0.8
58.80507	0.6
59.93108	0.8
60.62251	0.5
68.05032	0.9
69.03439	2.4
70.06612	1.0
71.02739	1.4
71.04996	30.9
72.04517	9.2
79.05063	1.2
79.05498	11.6
81.07069	0.9
82.02949	1.9
82.06590	1.1
82.45533	0.6
90.43720	0.6
91.36024	0.6
94.06561	0.7
95.04991	0.6
96.04491	1.0
96.08141	4.9
97.02905	2.5
98.97588	0.7
100.89510	0.6
101.00890	1.4
103.73994	0.6
106.06564	34.3
114.09200	0.9
118.96756	2.0
119.01948	3.4
124.07598	100.0
125.02365	4.5
125.06020	1.2
125.07977	1.0
130.55312	1.5
142.03511	1.7
142.05023	0.8
142.08640	28.4
142.12253	1.4
143.03398	13.3
145.58557	0.6
157.73892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.4
55.05512	1.7
55.22080	1.0
56.05034	1.7
56.96568	1.6
57.03436	2.3
59.93106	2.1
59.93412	1.0
60.04527	1.1
65.91477	1.3
67.05519	2.0
68.05022	2.7
69.03432	7.0
69.84556	6.3
70.06582	3.3
71.04999	24.9
72.04524	9.0
72.08142	1.3
79.05490	12.2
81.05826	1.4
81.07056	3.8
82.02946	2.7
83.03739	1.4
83.04980	1.4
86.06086	2.4
92.76150	1.2
93.60977	1.3
94.06574	1.9
94.54295	1.0
95.04988	2.1
95.13463	1.3
96.04494	5.2
96.08145	8.9
97.02892	7.6
97.06548	2.1
98.06027	1.4
98.20806	1.4
98.97572	2.3
100.89497	2.2
101.00871	4.1
106.06563	29.6
109.54733	1.7
112.07574	2.5
114.09159	3.2
118.96784	7.8
119.01917	11.4
124.07597	100.0
125.02369	7.7
125.06040	1.6
125.07933	1.4
137.02985	3.5
142.02449	1.4
142.03448	5.4
142.05022	1.6
142.08644	42.1
142.09773	2.1
142.12285	2.1
143.03409	30.6
154.87407	1.2
160.04572	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
62.39276	0.3
69.31836	0.9
69.32246	1.3
72.08166	0.3
76.67171	0.2
82.06581	1.1
87.79732	0.2
91.05482	16.9
92.12383	0.3
98.21589	0.4
100.04774	0.7
100.07613	2.1
113.40209	0.3
117.05762	4.0
118.06544	100.0
119.04958	0.7
119.06901	1.7
119.08616	0.4
123.96409	0.4
146.06015	18.3
146.08089	1.1
147.04489	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0599
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
51.02375	0.9
53.03947	4.8
55.01865	2.5
55.05500	1.3
56.96562	1.9
57.03436	0.7
61.02905	0.8
65.03617	1.5
65.03944	27.7
67.05504	2.0
67.06467	0.9
68.59057	0.9
69.03410	1.0
70.17566	2.8
70.99839	1.2
71.01363	1.1
77.03926	0.9
79.05499	32.8
82.01459	1.9
83.04975	1.9
85.02919	1.4
91.05485	10.3
93.03397	8.5
93.07045	31.7
94.06588	2.5
95.04965	4.0
98.03688	1.7
100.02486	3.5
101.00887	2.8
103.05473	75.8
104.05795	2.1
105.04536	1.7
105.07024	3.4
105.53513	1.4
106.06563	1.1
107.04967	22.3
107.08627	1.0
111.04443	4.9
112.01904	0.9
114.53966	0.8
115.02372	0.9
118.03537	2.2
119.01919	6.3
119.03336	0.9
121.02874	38.3
121.03983	10.6
121.06500	13.8
121.10126	1.3
122.06055	3.2
124.02510	2.0
131.01874	1.0
131.04942	9.3
133.02463	2.1
133.03452	2.5
133.05066	1.5
142.03493	5.3
145.03435	1.5
149.02353	100.0
149.05997	11.6
149.07130	1.7
149.09602	2.2
149.11613	4.4
150.02742	1.6
150.05504	5.0
150.06676	0.8
150.07780	6.7
151.02415	1.0
161.02950	1.1
167.05582	1.2
169.03471	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	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03936	3.2
55.01872	1.5
55.05506	1.8
62.08290	0.8
63.85012	1.0
65.03629	1.2
65.03944	21.4
69.03419	2.1
69.07062	2.1
71.51392	1.7
79.05504	11.5
81.07026	1.9
91.05482	25.6
93.03417	5.3
93.07043	24.3
95.04965	2.9
103.05470	5.9
105.07029	22.6
106.07827	3.1
107.04957	1.1
107.08586	6.8
108.04478	1.3
109.06511	1.7
111.04444	2.5
115.05424	1.9
115.61637	0.9
116.06233	6.9
117.79322	1.0
119.08576	4.9
121.02010	1.7
121.02867	28.2
121.03974	8.3
121.06516	7.7
121.10146	24.2
123.08059	2.8
128.06181	1.2
129.07001	2.7
131.04930	2.3
131.08565	12.1
133.07637	2.3
134.07243	1.2
149.02350	75.4
149.05980	2.9
149.09619	100.0
150.02643	1.5
163.63731	1.0
169.03482	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	149.0963
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
52.97965	0.8
53.03937	1.8
55.01875	4.8
55.05531	1.2
65.03616	1.6
65.03944	30.7
67.05502	3.8
69.10625	0.8
69.53878	3.7
69.54282	1.5
77.09666	0.7
79.05499	10.0
80.02605	0.9
81.03423	4.8
81.07047	2.9
81.54837	0.7
86.28262	0.8
91.05479	6.6
93.03403	8.5
93.07050	16.3
95.04977	1.4
95.05566	0.8
98.03667	1.4
103.05469	2.1
105.07038	6.8
107.04951	3.5
107.08622	6.2
108.04490	1.5
111.04451	3.3
116.06232	1.7
121.02875	38.1
121.03986	13.8
121.06500	1.9
121.10139	5.3
131.04898	1.0
131.08568	5.7
139.03856	1.0
149.02351	100.0
149.06009	2.9
149.09625	57.8
149.13284	2.7
150.02664	1.4
150.10004	1.1
167.03342	0.9
169.03452	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03940	2.4
55.01864	2.5
55.05506	2.4
62.44877	1.1
65.03944	11.2
69.03430	3.3
70.85265	1.7
70.85626	2.1
79.05495	15.5
81.07054	3.0
91.05485	40.1
93.03429	1.4
93.06485	1.8
93.07047	25.9
95.04959	1.7
102.89623	1.0
103.05493	5.4
105.07036	31.8
106.07835	2.2
107.04971	2.2
107.08604	7.7
109.06506	2.9
111.04422	1.2
115.05443	4.5
116.06245	13.1
119.08607	5.8
121.02875	17.1
121.03983	5.3
121.06521	11.4
121.10149	32.6
123.08104	3.3
129.07011	5.6
129.20081	1.0
131.04898	1.1
131.08568	21.8
133.07654	3.3
134.07246	3.2
146.11758	1.1
147.08031	2.4
148.21074	0.9
149.01169	2.4
149.02362	42.4
149.03426	2.0
149.09627	100.0
150.10002	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03943	4.3
55.01883	2.2
55.05512	9.4
59.76482	1.9
65.03664	2.5
65.03944	31.4
67.05508	27.9
69.07073	16.3
70.40207	6.4
79.05496	37.1
81.06591	4.0
81.07060	62.5
82.29716	1.9
83.08586	4.3
91.05486	13.4
93.03391	8.2
93.07047	68.8
95.05005	2.1
95.08625	9.4
98.20888	2.4
105.07050	4.9
107.04977	4.7
107.08597	57.0
111.04491	4.1
117.37325	2.2
121.02874	37.7
121.03992	15.6
121.06525	1.9
121.10146	16.5
121.43284	1.9
134.97473	1.9
149.02357	100.0
149.05949	2.6
149.09644	16.2
149.13263	55.3
167.99373	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03948	2.7
55.05508	3.0
65.03616	1.6
65.03947	28.1
67.05508	11.3
69.03439	1.3
69.07074	5.1
69.67233	3.9
69.67644	2.0
70.94824	0.8
79.05500	15.6
79.05932	1.9
80.57848	1.0
81.07059	24.3
83.08620	1.6
86.98061	0.9
91.05492	6.0
93.03401	7.2
93.07048	25.4
95.08617	3.3
98.03696	1.5
104.06320	0.8
105.07042	2.3
107.08603	23.2
108.04488	2.1
111.04446	3.6
114.35130	0.9
121.02876	40.6
121.03977	12.0
121.06474	1.0
121.10155	9.3
122.00974	1.1
122.03291	1.1
131.05009	1.0
133.07510	1.0
149.02357	100.0
149.09639	4.4
149.13280	26.5
150.02670	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03937	5.5
55.05512	10.9
65.03944	15.6
67.05511	38.2
69.07070	16.8
70.41714	6.6
79.05501	52.6
81.07063	100.0
83.08604	4.4
87.36799	2.0
91.05492	15.9
91.81909	2.0
93.03394	3.2
93.07047	82.3
95.08599	13.2
105.07032	8.0
107.08600	67.1
109.75121	2.0
111.04496	1.9
121.02868	17.0
121.03976	7.3
121.10150	23.4
131.47446	2.2
149.02361	49.5
149.03502	5.1
149.09673	6.4
149.13264	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03938	2.1
55.01867	1.6
55.05504	2.1
65.03616	1.9
65.03945	31.4
67.05512	10.7
69.07045	3.5
70.10783	2.9
70.11204	1.5
72.06341	1.0
79.05491	13.2
81.07059	25.5
83.08652	1.2
91.05464	6.2
93.03418	6.6
93.07053	26.1
95.04968	1.5
95.08607	4.1
105.07025	3.2
107.04963	7.7
107.08601	20.7
111.04422	3.3
120.05717	1.3
121.02870	39.2
121.03981	11.0
121.06483	1.9
121.10131	7.2
134.41371	1.0
149.02354	100.0
149.07080	1.4
149.08476	1.4
149.09608	8.8
149.13264	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	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
53.03950	1.5
55.01863	1.1
55.05504	1.6
65.03944	28.0
67.05512	6.6
69.07063	3.9
69.60919	5.2
79.05496	8.9
81.07062	15.0
86.20733	0.7
91.05496	4.5
93.03405	6.7
93.07047	17.5
95.08612	2.6
98.03641	1.5
103.05506	1.2
105.03434	1.1
105.07041	1.8
107.08614	12.8
108.04501	1.8
111.04425	3.9
120.34977	0.8
121.02876	42.5
121.03975	12.2
121.10155	3.3
149.02353	100.0
149.05989	2.9
149.07086	1.5
149.08604	0.8
149.09641	5.6
149.13255	13.5
150.02681	1.5
150.05562	0.8
150.09021	0.7
150.32425	0.8
167.03300	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.03945	3.1
55.01865	1.4
55.05518	7.6
65.03944	32.9
67.05493	4.9
69.07080	7.5
69.24961	9.0
69.25372	3.8
72.77513	1.4
79.05499	27.1
81.07068	15.9
89.62560	1.3
91.05489	14.8
93.03416	7.0
93.07050	55.2
95.04981	2.2
95.08620	3.9
98.03662	1.4
98.20763	2.1
103.05470	1.8
105.04514	1.6
105.07030	7.4
107.04929	2.3
107.07883	3.0
107.08601	42.5
111.04460	4.0
116.74512	1.5
119.58369	1.4
121.02876	37.2
121.03976	11.4
121.06500	1.6
121.10149	14.2
121.56789	1.5
131.04915	1.4
131.08600	1.6
149.02356	100.0
149.05986	2.7
149.09639	5.5
149.13278	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	149.1326
Annotation	Hormodirene
Peak:m/z	Relative Intensity
52.02616	0.8
53.03948	1.4
54.19888	1.0
55.01855	1.9
55.05497	2.6
56.32685	0.8
62.62792	1.0
65.03941	27.3
67.05505	8.5
68.75095	0.8
69.07079	5.8
70.65358	2.6
73.92974	0.7
79.05500	12.5
81.07056	18.9
91.05489	6.3
93.03414	6.0
93.07046	22.1
95.04985	1.5
95.08597	3.6
98.03677	1.2
103.05455	1.4
103.23949	0.9
105.07044	2.4
107.04958	2.5
107.08595	16.8
108.04477	2.0
111.04429	4.6
114.05521	0.9
121.02865	37.2
121.03979	13.3
121.06495	1.9
121.10144	6.4
122.03242	0.8
149.02350	100.0
149.05981	2.5
149.09673	5.0
149.13268	19.1
169.03511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0552
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03948	3.5
55.01863	1.3
55.05487	0.7
56.05025	1.9
56.38349	0.5
56.96565	1.4
57.03429	1.4
61.01155	0.7
61.02923	0.6
65.03933	2.7
67.05508	17.5
67.93569	0.9
68.11255	0.6
68.99792	0.6
69.03430	1.2
70.09827	2.1
72.93790	5.3
73.02907	1.4
76.67897	0.7
79.05502	2.7
81.03416	1.7
81.07069	0.7
82.01447	2.1
83.04964	1.8
85.02895	1.2
87.03840	0.5
88.51681	1.0
90.90387	1.7
90.94834	4.5
91.01974	1.8
91.05490	1.1
93.05769	0.9
93.07050	0.9
94.06573	49.6
95.04971	2.2
95.08614	0.7
96.04486	0.7
98.97607	1.2
100.02477	6.9
101.00883	2.9
101.02583	0.7
102.02312	0.8
104.01261	0.6
104.05321	0.7
105.06974	0.9
106.06558	15.1
108.04406	0.7
109.05185	0.7
110.01287	1.3
113.53181	0.7
113.96413	0.9
115.02434	0.9
115.04056	1.2
116.05779	0.9
118.03522	0.7
119.01894	4.9
122.03194	3.0
122.06031	34.9
124.02518	0.7
127.02423	0.6
128.02205	0.6
131.01938	0.8
131.92995	0.7
132.04393	0.9
133.03404	2.5
133.05066	2.3
136.01689	0.8
137.03001	0.7
142.03471	3.2
144.03244	0.5
145.03477	1.8
148.03934	1.0
149.96135	1.3
150.02817	8.9
150.05508	100.0
150.07747	25.6
150.09071	2.1
151.05971	1.1
161.02983	0.9
163.58170	0.6
167.97232	1.0
168.06564	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	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02372	0.8
53.03945	3.5
55.01877	5.0
55.05513	2.5
56.96564	4.8
57.03435	1.4
61.02922	1.2
63.79568	0.5
65.03615	0.8
65.03942	11.1
67.05508	13.5
68.95281	1.0
68.99782	0.8
69.03432	1.2
69.07049	0.5
71.01339	1.4
71.04997	0.5
71.52180	0.7
73.02917	1.8
77.03934	1.6
79.05486	3.2
80.02634	1.1
81.01034	0.8
81.03419	1.4
81.07057	6.9
83.00792	0.7
83.01299	0.6
83.04989	0.7
84.02115	0.5
85.02909	2.1
89.00755	0.8
89.06030	1.3
89.46610	0.7
91.05476	4.9
93.03423	0.8
93.07051	4.8
95.01335	0.9
95.04987	5.6
95.08607	4.8
96.08134	1.1
97.02913	0.4
97.06528	0.5
97.99130	0.6
98.01296	1.0
98.97602	3.9
101.00742	1.0
104.01302	0.6
105.03403	1.0
105.04506	1.7
105.07037	7.4
107.08607	5.4
107.47649	0.7
108.02103	13.1
108.05724	0.5
108.08147	0.5
109.02869	1.3
109.06529	4.3
109.10168	3.1
110.01292	4.2
111.04431	2.3
112.01562	0.6
114.33338	0.5
116.48186	0.6
116.98637	1.5
119.01811	3.8
121.03991	1.9
121.10169	0.5
121.52118	0.5
123.04423	2.6
123.08073	5.9
123.11729	2.3
124.07582	1.3
127.03939	0.8
128.01573	0.4
128.02353	3.6
128.98608	0.7
130.52562	1.0
133.06465	1.7
133.10127	3.3
136.01581	2.1
139.53098	0.6
141.05460	6.6
151.03909	100.0
151.05049	30.7
151.07520	7.8
151.11183	7.1
152.04269	1.1
152.07040	1.1
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
51.02372	0.8
53.03946	3.0
55.01876	4.9
55.05507	2.0
56.96560	3.4
57.03426	1.7
57.07075	1.0
61.02925	1.0
65.03623	0.7
65.03944	11.6
67.05508	15.8
68.95276	1.3
69.03432	1.2
69.07072	1.3
71.01356	0.9
71.04988	0.5
71.52849	1.0
73.02904	1.0
74.97631	0.6
77.03918	1.3
79.05498	4.7
80.02650	1.1
81.03414	2.0
81.07056	17.9
83.04989	0.8
85.02909	1.9
89.06019	1.4
91.05479	5.8
93.03415	0.6
93.07048	7.9
95.04974	8.3
95.08607	7.2
97.02892	0.7
97.99202	0.6
98.01324	0.8
98.97584	3.2
101.00789	1.1
103.05493	0.6
104.76833	0.5
105.03396	0.7
105.04519	1.8
105.07040	13.3
107.01829	0.7
107.04929	0.5
107.08596	6.6
107.47655	1.4
108.02096	14.1
109.02881	1.8
109.06525	7.2
109.10165	4.7
110.01311	2.4
110.05996	0.6
111.04455	2.1
112.01592	1.5
115.98100	0.6
116.48177	0.6
116.98595	1.2
119.01812	3.3
119.04898	0.6
121.03984	1.1
121.10126	1.4
121.52056	0.6
123.03522	0.5
123.04394	2.9
123.08087	4.6
123.11711	8.4
128.02350	3.1
133.02853	0.9
133.06508	1.5
133.10138	7.0
134.06056	1.1
136.01566	2.5
137.02829	0.7
141.05460	7.8
151.03909	100.0
151.05051	35.3
151.07513	5.2
151.08658	1.5
151.11189	11.6
151.14711	0.5
152.04257	1.3
152.07007	1.5
157.99500	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	7-Hydroxy-1(3H)-isobenzofuranone
Peak:m/z	Relative Intensity
51.02347	1.0
53.03950	4.8
55.01880	5.1
55.05499	3.2
56.96565	10.7
57.03430	2.9
61.02914	2.7
65.03676	0.8
65.03951	11.3
65.34660	0.8
67.05509	20.6
68.00282	0.9
68.95283	2.7
69.03446	1.8
69.07061	1.6
69.33759	2.6
69.34175	3.8
71.01345	1.2
71.04989	1.1
73.02912	3.6
74.97600	1.1
77.03931	1.8
79.05512	5.9
79.22277	0.8
80.02625	1.2
81.01038	0.7
81.03423	2.3
81.07059	16.9
83.00773	1.6
83.04958	1.1
83.33335	0.8
85.02925	5.7
86.74292	0.9
89.00768	3.1
89.06035	2.4
90.01528	0.9
91.05482	10.4
93.06564	1.1
93.07057	12.1
95.00757	1.8
95.04979	10.7
95.08609	12.9
96.08137	1.1
97.00576	0.9
97.02878	1.2
98.01276	3.2
98.97581	8.0
101.00766	2.2
104.01291	2.0
105.03371	2.4
105.04514	2.3
105.07047	14.5
107.01836	1.1
107.04971	1.2
107.08594	14.7
107.47621	1.9
108.02108	14.5
108.49023	0.9
109.02880	1.8
109.06543	9.0
109.10150	5.6
110.01287	9.0
110.97620	1.2
111.04443	2.0
112.01588	1.6
116.98629	3.0
119.01810	11.7
119.04942	3.2
119.05956	0.9
121.03999	1.7
121.52058	1.3
123.03622	0.9
123.04450	6.7
123.05293	1.2
123.08076	14.1
123.11681	5.3
124.07565	1.2
127.03944	0.9
128.02325	11.3
128.98651	1.9
130.52589	2.3
133.02841	2.6
133.06482	3.5
133.07480	1.1
133.10133	7.6
134.99675	1.7
136.01563	2.3
136.05241	1.4
136.08893	0.9
137.02849	1.3
139.53091	2.0
140.00154	0.9
141.05481	8.0
146.99640	1.0
151.03900	100.0
151.05048	33.7
151.07542	18.6
151.08632	2.3
151.11185	18.7
152.01645	1.1
152.04301	1.0
152.05682	0.8
152.07040	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.03170	0.5
52.73239	0.4
53.03956	3.9
55.01878	3.3
56.96559	0.9
57.03427	0.6
65.03623	0.5
65.03944	9.3
67.05508	12.1
69.03429	0.5
69.38055	3.1
71.01344	0.8
75.05212	0.4
77.03918	1.8
79.05486	1.1
80.02627	1.1
81.07066	3.3
84.02113	0.5
85.02910	1.3
89.06054	0.5
91.05466	1.0
93.03441	0.4
93.07050	1.2
94.04230	0.5
95.04965	6.1
95.08602	3.5
96.01582	0.4
98.03688	0.5
98.97573	1.0
105.04511	1.3
105.07025	2.1
107.08583	1.1
107.47610	0.4
108.01369	0.8
108.02106	15.3
109.02848	1.2
109.06528	1.2
109.10154	1.9
110.01260	1.3
111.04453	1.9
112.01589	0.9
115.42764	0.4
119.01809	0.8
121.03983	1.9
123.04429	2.0
123.08057	1.6
123.11695	0.7
127.03933	0.4
128.02313	1.9
133.10095	0.9
136.01563	1.9
141.05472	7.8
151.03900	100.0
151.05042	35.3
151.11171	2.6
151.12192	0.5
151.14828	0.6
152.04263	1.1
152.07050	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0391
Annotation	Piperonal
Peak:m/z	Relative Intensity
51.02394	0.5
53.03952	3.0
55.01871	3.9
55.05501	1.3
56.96570	2.6
57.03435	1.8
59.05003	0.4
61.02922	1.0
65.03944	10.4
66.04289	0.4
67.05508	12.2
68.95286	1.0
68.99804	0.5
69.03425	1.1
69.07092	0.6
69.88665	1.6
69.89083	0.8
71.01342	1.0
73.02924	1.4
77.03926	1.9
79.05496	2.3
80.02643	1.4
81.03432	0.9
81.07064	6.2
84.02135	0.4
85.02906	1.7
89.00789	0.4
89.06033	1.3
91.05489	3.0
93.03433	0.7
93.07059	4.3
95.01335	1.1
95.04978	7.8
95.08617	4.4
96.01560	0.4
98.01311	1.0
98.03683	0.5
98.21459	0.5
98.97578	2.2
99.04482	0.5
101.00770	0.6
105.04510	1.4
105.07034	5.8
106.06538	0.5
107.08599	4.1
107.47623	0.9
108.02102	13.7
109.02890	1.5
109.06525	3.7
109.10123	2.5
110.01299	1.5
111.04440	1.9
112.01585	1.2
116.98622	1.1
119.01823	3.3
119.04969	0.7
121.04012	1.5
123.04433	2.4
123.08064	3.2
123.11713	1.7
127.03899	0.6
128.02324	3.3
128.98611	0.7
130.52634	0.5
133.02855	0.7
133.06516	0.8
133.10155	2.4
133.84550	0.4
136.01593	2.5
139.53130	0.8
141.05473	8.0
146.99683	0.5
148.96101	0.4
151.03915	100.0
151.05055	33.9
151.07445	3.8
151.11183	6.3
152.04327	0.7
152.07117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03953	3.9
55.01862	4.4
55.05519	15.3
56.89972	1.5
57.03442	11.3
57.07061	1.8
65.03925	4.4
67.05506	63.7
69.03429	10.2
69.07053	6.7
69.69164	4.5
69.69585	5.7
71.04999	4.0
79.05074	2.7
79.05501	41.3
79.74562	1.7
81.07060	70.6
83.04978	25.9
89.06030	6.2
91.05489	50.5
93.06486	3.1
93.07050	50.1
95.04970	19.2
95.08607	19.4
97.06497	2.3
98.21414	2.8
105.07034	72.8
106.07323	1.9
107.08599	81.1
109.06525	18.5
109.10163	32.5
114.96457	1.8
119.01824	2.4
123.08054	9.9
123.11710	11.7
131.08629	2.5
133.09126	4.0
133.10132	71.3
151.02847	3.8
151.03963	1.9
151.07545	4.0
151.08673	3.6
151.11188	100.0
152.07086	2.5
159.90912	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	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
53.03934	2.6
54.44025	0.9
55.01874	4.3
55.05512	14.2
57.03439	9.0
57.07072	1.5
59.04998	1.0
61.77633	0.9
65.03934	3.7
67.05507	58.7
69.03430	11.5
69.07071	5.8
71.04987	4.9
79.05497	32.7
81.03420	2.3
81.07058	60.2
83.04492	1.7
83.04985	28.8
85.06541	1.8
89.06035	2.2
91.05482	44.6
93.07047	43.2
93.07648	2.0
95.04974	16.4
95.08604	14.1
97.06548	4.2
101.01066	1.0
105.07036	65.5
106.07381	1.0
107.08596	77.0
108.05724	0.9
108.08905	1.1
109.06525	17.5
109.10162	34.3
119.01770	1.5
119.06040	1.1
123.03582	1.1
123.04445	1.3
123.08058	6.6
123.11716	9.1
131.08582	3.3
133.10136	70.2
134.06096	1.0
151.02832	4.3
151.03961	1.3
151.07562	3.9
151.11188	100.0
152.07027	1.6
158.47050	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03960	5.2
55.01879	1.9
55.05514	100.0
56.96568	4.1
57.03442	1.1
57.07073	5.5
59.05001	2.9
59.41397	0.6
61.02910	0.8
63.00047	1.3
63.02746	0.7
65.03949	1.7
67.05507	32.3
69.03439	4.4
69.07067	5.0
69.63010	0.6
70.63751	2.2
71.05000	1.3
71.08646	2.4
73.02925	1.8
79.05493	13.0
81.03431	2.1
81.07058	40.3
83.04976	1.6
83.08637	0.8
85.02917	1.0
89.00768	1.1
89.06060	1.4
90.01567	1.0
91.05484	12.4
93.07047	14.5
95.00770	0.9
95.04014	0.7
95.04971	13.7
95.08613	38.1
96.01579	1.0
96.08154	1.0
97.06529	16.8
98.97620	2.6
101.00748	1.2
103.05479	1.5
105.07035	21.5
107.05026	0.8
107.08592	23.0
107.09309	1.3
108.02131	1.0
108.05736	2.0
108.09456	0.7
109.02883	1.1
109.06524	17.7
109.10158	45.1
110.01306	1.9
110.07301	1.6
110.97588	0.7
112.29144	0.6
116.98604	1.0
119.01781	3.7
119.04938	1.0
119.06103	0.8
121.06560	1.0
121.10169	1.9
123.04411	3.7
123.08072	17.6
123.11707	18.4
128.02345	3.7
131.08577	0.9
133.06497	5.5
133.07530	1.3
133.10146	8.2
137.02769	0.9
148.67558	0.7
151.02921	1.1
151.03914	8.0
151.05055	2.7
151.07565	16.4
151.08650	1.6
151.11197	44.8
151.14812	5.7
152.07082	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	Lyratal
Peak:m/z	Relative Intensity
52.68496	1.3
53.03934	4.3
55.01881	7.7
55.05310	1.1
55.05518	10.2
56.96574	10.9
56.96836	2.3
57.03440	8.1
61.02906	3.2
65.03932	4.7
67.05508	60.0
68.95293	3.1
69.03426	8.5
69.07054	4.2
70.86484	2.7
70.86823	2.3
71.04997	1.7
73.02920	3.6
77.03915	1.6
79.05495	49.4
81.03417	3.4
81.07057	66.0
83.00768	1.6
83.04979	16.5
85.02917	2.0
85.06496	2.1
89.00761	2.4
89.06034	3.6
91.05485	60.1
93.06485	2.8
93.07050	49.1
95.00726	1.6
95.04969	17.0
95.08609	23.1
97.02874	1.7
98.01284	3.4
98.97588	9.2
101.00764	1.5
105.07036	92.2
106.07375	2.3
107.08596	100.0
107.47630	3.1
108.08154	1.7
109.02875	2.3
109.06525	23.8
109.10161	46.6
110.01271	8.7
110.97575	1.5
116.98615	4.3
119.01804	9.6
121.52073	3.1
123.04430	3.9
123.08058	13.7
123.11727	14.7
127.98952	1.4
128.02322	10.4
130.52585	3.8
131.08591	2.8
133.02859	1.7
133.06456	2.7
133.07526	2.2
133.10135	80.2
134.99640	2.1
139.53075	2.6
151.02867	3.1
151.03908	11.2
151.05006	2.7
151.07561	15.0
151.08580	2.5
151.11183	77.3
151.14786	2.4
152.07011	3.7
163.03912	5.0
164.04277	2.2
166.37823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0568
Annotation	Guanine
Peak:m/z	Relative Intensity
50.79853	0.2
55.02991	0.5
66.58027	0.2
70.23233	0.2
70.67921	0.8
82.04079	0.5
90.04612	0.2
109.05143	1.7
110.03529	9.9
119.01868	0.4
128.04575	2.3
134.04616	1.1
134.06046	0.3
135.03026	22.8
136.01448	0.4
147.01401	0.3
152.05679	100.0
153.04080	18.1
153.06055	0.7
154.02481	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0547
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.84055	0.5
61.40650	0.6
65.03943	63.3
66.04287	0.8
67.05508	0.6
70.49355	0.8
70.49734	1.1
79.05491	1.1
80.93577	0.5
90.94001	0.5
93.03409	100.0
93.07053	1.3
94.03740	0.9
97.06539	1.4
98.20829	0.6
99.53299	0.6
107.08604	1.0
110.03668	9.6
111.04447	73.1
115.54620	0.5
115.77976	0.6
125.05996	70.1
127.45824	0.5
134.06029	2.0
153.05475	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
52.28258	0.7
53.03958	3.7
54.38284	0.7
55.01878	12.7
55.05265	1.2
55.05513	13.3
56.96557	3.0
57.03197	1.2
57.03441	14.8
59.04993	1.7
65.03938	7.2
67.05509	20.0
68.57294	0.7
69.03440	5.5
69.07075	6.7
69.51745	3.8
70.94262	8.1
70.95872	4.9
71.01343	3.2
71.04992	5.2
73.02906	0.8
77.03914	1.3
79.05496	100.0
81.03423	13.0
81.07058	40.5
81.07510	0.7
83.04983	7.4
83.08620	6.9
85.02900	2.0
85.06532	1.8
88.95298	2.6
88.96903	1.4
89.57455	0.9
91.05483	23.3
93.03399	7.4
93.07047	53.6
95.04977	8.8
95.08591	3.4
97.02906	1.3
97.06526	7.3
97.10175	4.6
98.20646	0.8
105.04503	2.0
105.07024	4.5
107.01678	0.8
107.04221	1.2
107.04958	35.4
107.08595	53.1
109.06516	24.2
109.10161	2.5
110.03646	1.7
111.04445	9.4
111.08088	39.3
111.96854	5.3
111.98470	0.9
113.96418	0.8
115.05467	4.7
117.07018	27.3
119.06035	1.0
123.08066	6.0
125.05991	7.5
125.09635	13.2
126.05476	1.1
129.97923	3.0
130.96320	1.8
135.04431	16.4
135.08060	50.6
135.11690	2.4
136.07509	1.3
138.03125	1.7
138.52364	1.5
141.50639	1.4
148.97365	1.4
153.05484	11.6
153.06598	1.5
153.09106	26.5
153.10313	1.1
153.12759	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	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03946	2.4
55.01855	3.2
55.05510	10.0
56.96554	1.3
57.03428	2.9
57.07040	0.8
59.05006	1.7
65.03940	9.2
67.05502	12.3
68.99792	2.0
69.03429	9.0
69.07069	7.1
69.85525	3.1
69.85928	1.2
70.94253	9.4
70.95866	3.6
71.04989	2.4
73.02901	0.6
79.05497	23.7
80.68578	0.6
81.03415	2.9
81.07050	11.8
83.01347	2.9
83.04980	16.2
83.08637	3.2
85.02911	0.9
88.45934	0.7
88.95302	2.6
88.96887	1.2
90.40888	0.6
91.05482	19.8
93.03408	6.7
93.07044	15.6
95.04970	32.7
95.08604	14.6
96.05340	0.8
97.02893	2.2
97.06532	6.9
97.10139	1.0
99.04404	0.8
103.05467	1.6
105.06308	1.1
105.07031	27.0
107.04973	6.4
107.08593	56.9
108.05744	10.7
108.08136	0.7
109.06525	11.5
109.10133	5.4
110.03655	1.6
111.04442	18.9
111.08083	27.3
111.96862	5.0
111.98467	1.3
115.05452	2.6
117.07011	2.8
119.06055	2.5
120.05714	1.5
121.06506	3.3
123.08067	100.0
124.05137	0.9
124.08392	1.1
125.05996	8.9
125.09634	15.0
129.97861	3.4
133.07588	5.7
135.04431	3.0
135.08055	57.5
135.11639	3.3
136.07582	1.3
138.06728	1.2
148.97318	0.9
153.01895	1.5
153.05482	5.5
153.09106	24.4
153.10170	1.4
153.12741	5.1
153.13852	1.2
154.04980	1.7
154.08577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	cis-2,8-Menthadien-1-ol
Peak:m/z	Relative Intensity
53.03942	1.3
55.01870	1.5
55.05269	0.9
55.05513	8.9
57.03442	4.6
57.07062	2.8
59.05004	1.3
65.03939	3.5
67.05511	22.3
69.03436	2.4
69.07073	39.1
70.94256	3.4
70.95867	2.6
71.04999	2.5
71.14790	1.5
71.94100	2.2
77.79675	0.7
79.05500	24.3
81.07063	30.8
82.06617	0.7
83.04990	5.6
83.08643	4.4
85.02899	1.1
85.06526	1.7
88.95284	1.5
90.08020	0.8
91.05494	4.5
92.98377	0.7
93.03414	2.5
93.07050	39.8
95.04946	2.0
95.08006	0.8
95.08614	16.8
97.06541	19.1
105.07014	0.9
107.01682	1.0
107.04942	1.2
107.08601	40.8
109.06520	1.4
109.10165	28.0
111.04511	5.0
111.08093	7.9
111.11738	1.7
111.96891	2.8
111.98512	0.9
112.04802	0.7
124.08688	0.9
125.05983	3.8
125.09643	1.7
126.06368	1.0
129.97929	2.2
135.04460	1.5
135.08093	1.6
135.11699	95.5
136.03954	0.8
136.07568	1.0
136.12042	1.7
137.51442	0.8
138.03128	0.9
153.05562	5.8
153.07568	4.2
153.09111	2.9
153.12753	100.0
154.05016	1.5
154.08676	0.8
154.13103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.04
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.0
55.05513	2.5
55.93536	1.4
56.96557	1.7
57.03442	6.6
58.99870	2.9
59.52191	3.5
61.02930	3.2
64.51775	1.2
65.52203	1.6
67.01858	4.4
67.05497	1.9
68.05031	2.0
69.03433	3.0
69.52445	5.3
70.06602	1.8
70.95871	60.0
70.99863	4.6
71.04984	1.7
71.51223	1.1
72.08151	1.4
72.52972	3.1
72.93407	2.2
72.93795	35.1
73.01411	1.3
73.02930	21.9
74.93831	2.3
75.01901	2.2
77.52174	1.6
78.52968	41.4
79.03023	4.5
82.01451	28.5
82.02692	1.3
82.06582	1.7
82.99844	4.1
83.01427	2.2
83.04988	2.0
83.06095	1.9
83.52198	3.1
84.01212	1.4
84.04510	1.8
84.08170	1.5
84.99274	7.7
85.01402	4.4
85.02910	4.3
85.51910	1.2
85.53732	2.1
86.06075	5.1
86.52704	8.7
87.02770	1.9
87.04490	1.6
87.53484	6.7
88.96908	7.5
89.00912	1.2
90.94821	7.0
91.02464	2.7
92.02312	2.8
92.52148	2.2
92.52702	33.9
93.02763	2.8
93.04541	1.4
93.51663	2.0
94.01718	1.4
94.52475	1.6
94.99792	1.5
95.01337	21.3
95.06074	1.5
95.53224	3.1
96.04497	3.5
97.01421	2.7
98.09699	14.0
98.52694	4.5
99.53477	1.3
100.02490	43.7
100.52425	4.6
101.00210	2.0
101.00887	39.9
101.01567	2.2
101.02591	4.2
101.53233	9.4
102.02303	1.5
103.00682	1.4
103.02400	5.6
104.52696	1.8
105.51653	3.7
106.52429	2.5
107.53208	3.8
108.00655	1.3
108.52155	3.1
109.01395	1.5
109.52972	11.1
110.02242	1.8
110.03090	1.0
110.06047	2.7
110.07166	25.4
111.00832	1.1
111.04462	1.6
111.98489	29.4
112.52443	3.8
113.00876	16.0
113.53191	7.2
113.96398	3.6
114.00964	3.4
114.03174	1.7
114.04034	12.2
114.05508	1.5
114.52170	1.8
114.94832	3.1
115.00609	3.8
115.01326	3.5
115.02427	12.8
115.04001	1.2
115.96453	3.6
117.01852	12.2
118.03538	11.1
119.01930	62.4
119.03650	2.4
120.02039	3.6
121.03488	2.3
121.52936	2.7
122.51929	1.3
123.04080	1.8
124.02534	10.4
125.02633	1.5
126.02160	1.2
126.98826	1.6
127.02414	1.1
128.07083	2.1
129.99538	7.6
131.01923	22.2
131.97514	1.2
132.01999	9.7
132.05040	6.4
132.95847	100.0
133.01643	8.1
133.03470	27.3
133.97456	1.7
136.02388	1.2
137.02966	9.3
138.04015	1.8
138.05501	6.0
138.06514	2.2
138.09189	2.8
139.07585	1.3
142.03513	51.6
143.01944	5.6
143.03615	3.1
144.03264	2.2
144.51018	1.3
144.53191	3.4
144.99854	2.6
145.03479	4.4
147.01375	2.6
149.02965	2.7
150.00357	1.9
150.05516	2.7
150.96896	84.3
151.04524	4.3
154.03534	5.5
155.97443	10.4
156.03194	2.7
156.05084	7.0
156.06551	4.6
156.07695	4.8
156.10201	8.6
156.13805	6.9
156.97589	2.0
156.99825	1.3
157.03531	1.2
157.04929	1.4
159.01375	1.7
160.04570	7.0
161.03024	5.5
168.01447	6.9
168.99808	2.0
169.01781	1.3
170.02780	1.3
171.01514	1.5
172.04570	4.1
173.98521	8.6
174.03052	1.5
174.06143	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	156.0422
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
57.96545	1.2
70.19035	2.5
70.19398	2.8
74.09722	15.1
78.15533	1.1
96.96910	3.9
110.07173	2.1
112.05252	7.3
127.68494	1.2
130.06319	15.8
156.04228	100.0
171.37209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.2
55.05510	1.8
55.21207	1.1
55.93518	1.9
56.96563	2.0
57.03424	4.5
58.04119	1.4
58.99854	2.0
59.52184	1.8
61.02913	4.1
62.19471	1.2
65.52173	1.8
66.53010	1.7
67.01850	2.6
69.03427	2.4
69.52437	2.0
70.80504	1.6
70.80843	2.8
70.95866	32.1
70.99851	3.9
71.02985	1.6
72.93420	1.2
72.93795	20.8
73.02931	9.5
74.93828	1.6
77.00901	1.4
77.52178	2.0
78.52958	23.6
79.03015	2.4
82.01444	21.7
82.06573	1.9
82.99854	9.9
83.01448	1.2
83.04962	1.6
83.06144	2.0
84.99258	2.9
85.01398	1.4
85.02901	2.8
85.05182	1.2
85.53719	1.2
86.06065	7.8
86.52688	6.3
87.04453	1.2
87.53480	2.7
88.96902	2.4
89.00887	1.6
90.03762	1.3
90.94835	3.1
92.02304	1.3
92.52698	18.5
93.02781	2.1
93.51670	1.2
93.52535	1.2
95.01326	13.0
95.06086	1.5
95.53212	2.1
97.01405	2.4
98.09707	6.6
98.52692	3.3
100.02478	23.3
100.52454	4.0
101.00884	62.6
101.02578	3.3
101.53203	2.5
102.00951	3.6
103.02428	2.8
105.51619	1.6
107.53191	1.5
108.52183	1.3
109.52959	6.5
110.02187	3.2
110.06033	2.8
110.07172	18.4
111.98492	19.0
113.00914	8.1
113.53197	4.0
113.96360	1.5
114.03166	1.5
114.04033	7.2
115.00581	1.9
115.01308	2.0
115.01702	1.6
115.02430	11.2
115.96431	1.9
117.01855	8.1
118.03516	7.1
119.01924	100.0
120.02018	3.5
121.52914	2.0
124.02496	9.7
126.98767	1.4
129.99493	3.2
131.01910	13.0
132.01994	4.8
132.05064	4.8
132.95839	58.4
133.01649	7.7
133.02695	0.7
133.03467	26.0
137.02963	13.6
138.05510	4.2
142.03502	70.3
143.01894	1.8
143.03624	1.9
144.99802	2.1
145.03346	1.4
147.01443	2.5
149.03000	3.0
150.96892	40.9
151.04552	5.6
154.03494	3.5
155.97424	6.0
156.03244	1.8
156.05067	4.8
156.06479	2.3
156.07690	1.9
156.10162	6.3
156.13817	2.8
159.01382	2.2
160.04552	10.9
161.03008	2.9
168.01430	4.9
173.98436	3.3
174.06094	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.6
55.01880	0.9
56.96561	0.9
57.03028	0.8
57.03440	45.9
57.07078	100.0
58.07402	1.0
59.04998	0.9
61.02919	4.2
61.23639	0.6
64.98101	0.8
67.05507	2.9
70.06602	1.1
71.04996	1.3
71.06924	1.0
71.27257	0.5
71.52291	0.9
72.04511	0.9
76.92945	0.8
76.93372	11.5
76.93780	1.2
79.05500	3.3
81.07069	2.0
85.02929	0.7
85.06547	55.9
87.04475	1.7
88.86685	0.6
89.35200	0.6
91.05485	7.1
93.07092	1.1
94.94396	4.2
95.08633	0.9
98.83392	0.5
98.97609	1.8
99.04465	0.7
103.07586	30.2
105.07030	5.1
113.02370	12.1
113.07972	0.9
114.06676	0.8
115.05411	1.3
116.06237	1.4
116.98649	1.4
117.07018	14.3
117.95990	16.2
117.96780	1.1
118.96786	1.2
119.08636	2.1
129.07033	2.7
130.07806	1.7
131.05002	1.5
131.07069	0.8
131.08582	22.5
135.97034	7.2
141.01831	37.9
144.09337	4.2
148.61414	0.7
158.98685	1.2
159.02972	1.5
159.04388	0.7
159.06880	1.2
159.08275	5.6
159.10226	37.2
159.11758	36.4
159.13068	1.1
159.15793	0.8
160.12193	0.6
171.89894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05098	0.5
51.02375	0.5
53.03922	0.8
54.51656	0.4
55.01876	0.6
55.05508	0.7
57.03441	32.9
57.07080	73.9
59.04970	0.6
61.02922	3.2
67.05504	3.7
67.52437	0.5
69.03423	0.6
69.88651	0.5
70.63054	1.7
71.04984	0.7
76.92977	0.6
76.93379	9.4
79.05487	0.9
81.07068	1.3
85.02875	1.0
85.06548	32.0
85.08670	0.5
87.04447	1.0
88.99815	0.5
91.05492	5.3
94.94408	2.4
95.08612	1.3
98.97610	4.1
99.08096	0.6
99.63245	0.6
99.97949	0.6
103.05483	8.4
103.07586	22.4
105.07042	15.2
113.02395	3.8
113.06007	0.6
114.09141	0.7
115.05473	2.0
116.06233	1.0
116.98619	1.8
117.01799	0.9
117.07021	12.4
117.95989	10.6
118.96783	1.2
119.08585	10.6
128.06197	1.0
129.07005	11.3
130.07819	3.8
131.04939	7.5
131.08571	26.7
133.56628	0.5
134.99637	1.2
135.97005	3.9
141.01837	17.4
142.07791	1.2
143.08551	1.1
144.09354	26.4
145.09641	0.6
157.10130	3.2
159.03119	0.9
159.04408	3.4
159.08051	1.8
159.10188	25.6
159.11693	100.0
160.12019	1.8
168.34738	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
55.05504	0.7
56.96571	1.5
57.03444	1.5
57.07088	2.4
67.05516	2.7
70.06599	1.0
70.64431	1.5
76.93374	6.5
78.01458	0.5
79.05511	1.7
81.07074	2.0
85.06571	1.0
91.05487	12.2
93.07061	1.5
94.94431	1.8
95.04964	0.6
95.08585	0.5
98.97595	1.3
103.05488	1.0
105.07043	16.9
113.02368	5.9
114.09152	0.6
115.05462	3.9
116.06247	1.8
117.01884	0.6
117.07026	27.7
117.95995	9.2
119.08601	7.8
126.55290	0.5
128.06268	1.2
129.07025	13.3
130.07796	16.1
131.08580	68.4
132.08936	1.3
135.55875	0.6
135.97025	2.5
138.24464	0.5
141.01842	18.2
142.07794	1.2
143.08585	1.2
144.09355	17.4
157.10149	3.7
159.02933	0.6
159.08191	2.9
159.11703	100.0
160.12045	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
65.03917	0.5
65.37745	0.3
67.05508	2.1
70.06602	0.4
70.76038	0.7
70.76379	0.4
76.93369	4.2
79.05489	0.9
80.55543	0.3
81.24649	0.4
83.46062	0.3
87.00829	0.5
91.05489	4.8
94.94401	1.0
95.04998	0.4
95.08620	0.4
97.06565	0.3
98.97603	1.7
103.05456	0.7
105.07037	19.3
105.35743	0.3
113.02365	1.9
115.05458	2.3
116.06286	1.6
116.98630	0.5
117.07021	17.3
117.95995	4.3
119.08591	10.8
128.06232	1.1
129.07011	13.4
130.07805	5.4
131.08575	31.9
132.08925	0.4
135.96991	1.0
141.01837	6.7
142.07765	1.9
143.08592	1.6
144.09354	28.3
145.09744	0.4
157.10136	5.2
159.11699	100.0
159.28317	0.4
160.12018	1.5
162.30096	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1171
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
52.60322	0.3
53.03940	0.4
55.01878	0.5
56.96561	1.5
59.93109	0.4
61.56954	0.3
67.01862	0.6
67.05505	1.4
69.37923	1.8
69.38335	0.7
70.06583	0.4
70.98111	1.3
71.05009	0.4
72.04528	0.4
72.08136	0.3
76.92973	0.4
76.93378	6.7
81.88937	0.3
85.02924	0.6
85.04879	0.3
85.05540	0.3
86.87611	0.3
88.99153	0.4
91.05492	3.3
91.06031	0.4
94.94418	1.9
95.05000	0.4
95.08595	0.4
96.08040	0.3
97.06541	0.3
98.97570	1.0
103.05463	0.9
105.07040	8.9
107.98241	0.3
113.02372	5.4
113.06004	0.5
113.07986	0.4
115.05463	1.1
116.06228	0.9
116.98631	0.5
117.01865	0.6
117.07028	6.7
117.95999	9.5
118.06558	0.4
118.96789	0.7
119.08589	13.2
128.06239	1.5
129.07018	11.3
130.07857	2.2
131.04936	0.8
131.08582	15.1
132.08936	0.3
134.99704	0.4
135.97035	4.3
141.01842	19.8
141.06956	0.6
142.07788	1.2
143.08598	1.9
144.02637	0.4
144.05737	0.9
144.09355	30.5
157.10139	3.1
158.98636	1.3
159.02913	1.2
159.04364	0.7
159.08067	5.0
159.11705	100.0
160.09731	0.5
160.12041	1.5
163.03908	1.2
164.04225	1.8
164.24646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.117
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
50.33318	0.3
55.06084	0.5
56.96543	0.5
57.03426	0.8
57.07063	1.2
60.48890	0.4
67.05503	1.5
70.06600	0.6
70.86496	0.8
70.86877	0.8
72.77367	0.4
76.93358	2.2
79.05497	0.6
91.05477	3.9
94.94406	0.5
98.97578	1.4
103.05481	1.2
105.07032	13.1
113.02391	1.0
115.05470	1.4
116.06213	0.6
116.98584	0.7
117.01874	0.6
117.06249	0.6
117.07034	11.6
117.95966	2.7
119.08582	11.0
128.06258	1.2
129.07008	12.4
130.07817	4.3
131.04915	1.1
131.08575	23.2
135.96997	0.5
141.01823	4.2
142.07802	1.9
143.08559	1.6
144.09351	28.7
145.09636	0.6
157.10109	3.3
159.11696	100.0
160.12053	1.4
170.75737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1334
Annotation	2-Aminooctanoic acid
Peak:m/z	Relative Intensity
53.10728	0.4
55.01863	0.7
55.05526	0.4
56.05033	0.8
56.96566	0.9
57.03442	0.4
58.06604	5.8
59.93121	2.3
61.02941	0.9
63.68807	0.3
67.05541	0.4
68.05037	0.4
69.03441	1.3
69.07083	1.1
70.06602	1.1
70.85747	0.6
70.86065	0.4
71.01320	0.4
71.04999	0.5
71.07390	0.9
72.04521	0.4
72.08156	12.0
73.02922	1.0
73.08489	0.3
74.06076	0.4
75.04485	0.7
76.61749	0.4
76.93366	0.8
77.93401	0.4
77.94158	1.3
81.03446	0.6
82.01449	0.5
82.99866	1.1
84.08154	0.5
85.02904	1.2
86.06068	0.7
86.09715	1.0
87.04496	0.8
91.05491	0.4
95.95196	0.6
97.02901	1.5
97.06528	0.4
98.09678	0.5
98.97581	1.1
99.97932	0.4
100.02486	0.7
100.07634	0.7
100.95725	0.5
101.00885	11.6
101.06054	0.9
103.02476	0.5
103.04049	0.3
105.03397	0.5
105.07036	0.4
110.04932	0.3
113.02390	0.6
114.02718	0.4
114.05557	0.8
114.06361	0.4
114.09200	2.7
114.12813	100.0
115.03947	0.5
115.05494	0.6
115.13148	0.9
115.96439	1.0
116.10744	3.5
116.97231	0.7
116.98663	0.8
118.03537	0.8
118.06538	1.2
118.96780	9.1
119.01928	32.2
119.08572	0.4
120.02113	0.4
121.01637	0.4
124.02447	1.8
128.96419	0.3
131.01997	0.5
133.03496	0.6
133.05283	0.3
133.06459	0.3
133.98991	0.6
136.04639	0.4
136.95447	1.1
137.01973	0.7
137.02960	7.7
137.04663	0.4
142.02309	1.1
142.03500	21.9
142.08577	1.7
143.03603	0.8
145.01686	0.4
148.05719	1.1
149.04784	0.4
150.95706	1.2
151.06279	0.7
154.96449	3.7
160.04562	7.9
160.05992	0.6
160.07521	0.8
160.09718	2.2
160.13335	23.1
161.02945	1.9
161.04509	0.4
161.09579	0.4
161.13544	0.4
165.05190	0.4
176.96851	0.4
177.98071	0.5
178.05621	0.5
179.03992	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47803	0.2
50.85137	0.2
67.05511	0.3
70.51486	0.5
70.51851	0.5
82.99841	5.1
83.99935	0.4
85.01411	0.5
89.14706	0.3
89.63960	0.3
99.93608	0.2
101.00885	45.7
102.00952	2.0
103.00683	0.3
107.05283	0.8
109.74643	0.2
111.00439	0.4
111.04458	0.5
116.05793	1.3
116.55853	0.4
119.01925	100.0
119.46483	0.2
120.01979	3.6
121.01634	0.4
124.02461	0.3
125.02571	0.4
129.04770	0.3
137.02960	17.6
142.03474	1.6
143.01924	0.5
143.03650	3.6
143.08646	0.2
144.03247	0.4
161.02963	7.8
161.04578	0.7
162.03143	0.3
166.43391	0.2
179.04007	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.7
55.05518	0.4
57.03440	1.3
61.02921	0.4
65.51096	0.3
69.03415	0.7
70.06593	1.1
70.99833	0.3
71.01353	0.3
71.50843	0.5
73.02920	1.1
81.01928	0.4
82.01447	1.2
82.99841	4.4
85.01382	0.5
85.02913	1.1
87.01942	0.3
91.02431	0.7
91.05517	0.3
91.93275	0.3
94.33579	0.3
97.01414	0.7
97.02894	1.7
98.20746	0.4
99.02956	0.5
99.04462	0.3
100.02510	0.7
101.00885	47.4
102.00948	2.7
102.02367	0.5
103.00656	0.6
103.02434	0.6
107.05245	0.4
108.02427	0.3
108.04192	0.3
109.02896	0.4
111.02942	0.6
113.00848	0.6
113.02374	1.0
115.02437	2.0
117.01953	0.6
117.03973	0.6
119.01923	100.0
120.02003	3.8
120.03413	0.4
121.01659	0.4
124.02473	0.5
125.02544	0.4
129.03986	0.8
129.52704	0.6
131.01898	1.3
133.03448	2.8
137.02957	17.7
138.53223	0.5
142.03523	1.4
143.01912	3.8
143.03612	3.2
144.03319	0.5
145.03433	0.6
147.05083	0.6
149.02872	0.4
159.05020	0.8
161.02960	11.6
161.04466	0.5
162.03200	0.5
179.04030	7.5
179.05608	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06570	0.2
50.60179	0.2
54.29885	0.2
55.01865	0.6
55.05521	0.3
56.05032	0.3
56.52669	0.2
57.03434	0.6
61.02927	0.6
63.17587	0.3
67.05507	0.5
69.03436	2.1
69.07052	0.3
69.69057	0.7
69.69469	0.6
71.01370	1.1
72.08141	0.7
73.02918	1.0
73.08442	0.3
74.06066	0.6
75.04483	2.4
76.53295	0.3
78.93112	0.7
79.05470	0.2
81.03416	0.3
81.07064	0.3
82.01451	0.3
82.99842	2.5
83.05014	0.3
84.08141	0.8
85.02898	0.9
85.51911	0.2
87.04466	0.4
91.00182	0.2
91.05476	0.7
93.07053	0.3
94.67281	0.2
95.01627	0.3
95.04926	0.3
97.02895	1.5
98.06034	0.5
99.00816	0.4
100.02505	0.3
101.00887	31.9
101.02345	0.7
101.95035	0.6
102.00951	1.6
103.00633	0.3
103.02461	0.3
103.03924	0.4
105.03419	0.5
105.07011	1.5
107.05264	0.8
109.90024	0.3
111.04462	0.5
112.07611	4.0
113.02362	3.1
115.03932	0.4
115.05537	0.2
115.13150	0.6
116.05798	2.2
117.06995	0.3
119.01926	100.0
119.08573	0.5
119.95766	0.4
119.96721	0.3
119.98785	0.4
120.02007	4.2
120.06532	0.3
120.68121	0.3
121.01637	0.3
121.02402	0.3
121.52977	0.3
125.02467	0.7
129.04758	0.5
130.08635	0.9
131.01956	0.3
131.95940	0.2
133.03464	0.4
133.05023	0.3
133.06482	0.5
133.10124	0.7
137.02963	25.7
137.99884	0.3
138.03064	0.9
138.53149	0.6
139.03397	0.2
140.05582	0.7
141.07112	8.0
141.57239	0.3
142.03496	1.9
143.01942	1.8
143.03592	3.0
143.08698	0.2
144.03249	0.5
144.05031	0.3
147.05099	0.3
150.07626	3.2
158.06627	2.9
161.02979	7.9
161.04520	1.8
161.05966	0.8
161.09604	1.1
161.13312	0.9
162.11310	0.4
170.06656	0.7
176.07664	1.1
179.04012	7.6
179.05591	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57299	0.6
53.03947	1.0
55.05516	5.6
69.03426	0.9
69.07073	7.7
70.74992	0.6
70.75360	1.9
78.93142	0.7
79.05503	2.7
81.07070	3.3
88.77803	0.6
91.05480	6.7
93.07040	2.8
101.95040	1.1
103.05482	1.9
104.56838	0.5
105.03437	0.8
105.07039	62.3
107.08637	1.4
113.02355	1.1
115.05518	0.8
117.07014	3.4
118.27253	0.6
119.08591	92.1
119.95765	0.7
120.08885	1.0
121.10139	1.1
126.66236	0.6
128.06229	0.9
131.08575	4.7
132.09358	0.8
133.06516	1.7
133.10144	30.0
143.08566	0.7
145.10054	1.4
146.10956	2.2
159.11687	4.0
161.05977	1.6
161.09656	3.6
161.13272	100.0
162.13608	1.4
184.50694	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
55.01850	0.6
55.05515	4.7
67.05510	1.0
69.03435	0.7
69.07074	7.8
69.55856	2.8
78.93142	0.5
79.05519	2.2
81.07054	3.2
83.08620	0.6
91.05488	6.8
93.07065	2.7
95.08617	0.6
98.20831	0.9
101.95000	0.9
103.05476	1.6
105.07037	53.5
107.08620	1.3
110.01307	0.5
113.02377	0.5
115.05480	1.5
117.07024	3.5
119.08588	99.5
119.95753	0.8
120.08891	0.8
121.10194	1.0
129.29387	0.5
131.08559	4.8
132.09334	0.5
133.06535	2.6
133.10135	31.0
145.10110	1.1
146.10922	2.7
159.11716	3.5
161.05931	1.1
161.09714	2.5
161.13266	100.0
162.13612	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01875	0.3
55.05513	5.3
67.05499	0.4
69.03433	0.6
69.07079	1.9
69.54051	1.3
78.93124	0.6
79.05502	1.8
81.06642	0.2
81.07052	1.1
81.72668	0.3
85.02928	0.3
91.04919	0.4
91.05490	6.6
93.07043	1.3
95.08617	0.3
97.02886	0.4
101.95052	0.5
103.03915	0.3
103.05468	1.2
103.79288	0.2
104.06212	0.4
105.03401	0.3
105.07040	16.8
107.08611	1.0
113.02383	0.6
115.05469	1.4
117.07027	2.9
118.07806	0.3
119.08590	100.0
119.95743	0.4
120.06577	0.2
120.08929	1.0
121.06449	0.4
121.10172	2.1
128.06241	0.3
131.08572	1.7
133.06485	1.5
133.10139	16.7
143.02136	0.2
143.08575	1.0
145.10136	0.3
146.07277	0.8
146.10950	0.8
159.11755	0.8
161.05984	1.3
161.09631	6.9
161.13278	21.9
162.11253	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02383	0.2
52.51636	0.2
53.03946	0.4
55.01867	0.3
55.05512	5.9
67.05508	0.4
69.03431	0.4
69.07064	1.9
71.10419	0.5
73.02914	0.3
77.03896	0.2
78.93119	0.5
79.05507	1.2
81.07059	0.9
85.02917	0.3
85.41719	0.2
88.02203	0.3
91.05485	6.8
93.07054	1.2
97.02926	0.3
101.95077	0.3
103.03926	0.4
103.05452	1.3
104.06251	0.4
105.03400	0.3
105.07034	16.4
107.08615	1.3
110.65069	0.2
113.02354	0.6
115.05473	0.6
117.07029	2.0
118.04176	0.3
119.08582	100.0
119.95821	0.4
120.08884	1.2
121.06541	0.4
121.10143	2.4
131.04883	0.2
131.08580	1.8
133.06500	1.7
133.10133	15.6
143.08572	0.8
146.07278	0.5
146.10915	0.6
157.21840	0.2
159.11713	0.9
161.05988	0.9
161.09637	6.2
161.13263	20.3
162.11249	0.7
162.13545	0.3
180.95280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1327
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.50661	0.5
53.03939	1.1
55.01871	1.9
55.05513	6.9
55.59254	0.5
56.96549	0.8
57.03430	0.7
59.04996	0.9
60.08177	1.2
67.05508	2.8
69.03424	1.4
69.07070	11.9
71.51910	0.9
73.02923	0.7
78.93126	2.0
79.05499	3.6
81.07058	4.9
85.02914	1.2
87.04479	0.7
88.02227	0.6
91.05488	11.3
93.07044	3.4
94.57959	0.5
95.08628	0.9
97.02889	1.9
100.09048	0.6
101.06010	1.4
101.95026	1.4
102.09241	0.6
103.03952	1.4
103.05453	2.6
105.03401	2.1
105.07035	69.5
106.07340	0.9
107.08623	2.8
113.02363	3.4
115.03949	0.7
115.05463	2.7
117.07030	4.5
119.08588	97.8
119.95798	2.4
120.08885	1.1
120.81898	0.6
121.10139	1.5
131.08551	6.0
133.06528	5.9
133.10138	42.2
134.10463	0.7
137.96864	0.7
143.02205	0.7
143.08562	2.9
145.10139	1.8
146.07260	1.4
146.10916	2.5
159.11713	4.4
161.06010	6.7
161.09648	12.9
161.13266	100.0
162.05487	1.0
162.11288	3.4
162.13615	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	163.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.1
55.01863	2.9
55.05520	5.4
56.96557	2.1
57.03435	3.2
57.07077	4.4
61.02930	1.1
65.03929	1.1
67.05500	2.4
69.03434	7.6
69.07076	8.0
69.18514	8.1
71.04981	6.1
73.02916	2.4
77.03918	1.5
78.95281	1.8
79.05070	1.3
79.05502	17.6
80.93103	1.1
81.03416	11.3
81.07070	6.0
83.08622	2.1
84.08143	2.0
85.02906	30.2
89.03922	18.4
89.06031	3.9
91.05489	17.1
92.02624	1.4
93.07047	19.3
95.04970	7.2
95.08596	4.9
96.01550	1.2
97.02882	2.2
98.97575	2.7
99.04459	42.1
100.02480	1.4
103.03945	56.8
103.05412	4.9
105.03399	2.6
105.04533	2.3
105.07032	11.3
106.06544	4.1
107.04969	15.4
107.07075	1.2
107.08597	41.7
109.02879	2.7
109.06505	1.1
109.09330	0.8
110.01315	1.0
115.05460	3.1
115.79911	0.9
117.03382	14.8
117.05685	2.8
117.07014	11.2
117.18835	0.8
118.03529	1.2
119.01788	2.6
119.04931	3.8
119.08589	6.2
120.08123	2.4
121.06455	6.0
121.10139	18.9
121.95744	2.8
121.96635	2.0
123.08014	1.2
127.03922	35.4
128.02304	1.2
129.07005	0.9
130.06531	9.9
130.07808	2.8
131.04900	4.9
131.10753	1.0
132.08101	12.7
133.02869	10.9
133.06558	1.1
135.04419	46.8
135.08047	7.4
135.11690	20.2
136.07617	1.3
143.08618	1.0
145.02856	13.6
145.03961	1.8
145.04964	1.5
145.06514	4.5
145.10120	9.9
163.03915	100.0
163.07510	11.2
163.08650	1.6
163.11201	29.5
163.12340	9.5
163.14822	14.1
164.04376	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0602
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
53.03950	7.8
55.01868	3.9
55.05501	4.2
56.96556	2.8
57.03439	2.1
57.07055	2.4
61.02937	1.7
67.05496	4.5
69.03416	5.8
69.07072	11.2
69.43550	2.3
69.43961	7.8
71.04987	7.7
79.05493	16.1
81.03420	18.3
81.07059	13.6
83.08609	3.2
84.08114	2.0
85.02911	40.8
89.03909	5.8
89.06026	2.0
91.05482	16.8
93.07047	29.9
95.04961	4.6
95.08627	10.8
99.04458	69.6
103.03947	100.0
103.05437	3.2
105.03387	2.6
105.04517	2.9
105.07035	10.3
106.06531	3.0
107.04961	9.0
107.08598	59.7
109.02882	5.6
115.05445	4.5
117.03352	7.7
117.05756	2.0
117.07008	10.6
119.04955	2.5
119.06071	1.6
119.08591	5.4
120.05661	1.3
121.06509	6.1
121.10151	18.6
121.95778	2.4
124.14416	1.3
127.03927	59.1
130.06523	3.8
130.07837	2.2
131.04904	2.2
132.08093	7.2
133.02847	7.3
135.04430	19.3
135.08052	15.5
135.11667	7.3
136.07532	2.1
143.05423	2.4
145.02888	4.6
145.04993	1.8
145.06482	4.3
145.10121	9.7
148.08875	2.0
163.03915	55.6
163.05258	3.1
163.07532	12.9
163.11189	33.6
163.12363	5.2
163.14828	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02368	1.5
53.03953	7.1
55.01880	4.8
55.05507	2.6
56.96548	1.3
57.03428	2.4
57.07065	1.8
59.04997	0.5
67.05511	6.0
69.03420	1.8
69.07063	2.1
69.66765	2.1
71.04998	0.5
75.34592	0.6
77.03919	2.2
79.05499	16.8
81.03441	2.7
81.07062	5.8
83.00766	0.6
83.05000	1.5
84.08138	0.7
85.02898	1.3
89.03904	2.5
89.06029	1.1
91.05492	8.7
92.02609	2.7
93.06482	1.1
93.07053	18.1
95.04974	11.0
95.08620	4.5
96.31983	0.5
97.06534	0.6
98.97562	1.2
100.02491	1.0
103.05450	1.3
105.03426	3.1
105.04506	4.3
105.07043	8.2
106.06554	2.2
107.04967	9.6
107.08600	13.7
107.43663	0.6
109.06502	1.3
110.01323	0.7
115.05431	1.2
117.03416	2.9
117.05766	1.2
117.07021	10.1
118.03446	0.7
119.01825	1.3
119.04921	1.0
119.08592	5.1
121.06501	4.7
121.10141	4.4
122.26907	0.5
127.28525	0.5
129.06949	0.6
130.06522	3.3
130.07805	2.8
130.52553	0.8
131.04930	1.1
132.08112	3.7
133.02866	17.4
133.10115	1.4
134.07318	0.6
135.04427	23.5
135.08086	2.7
135.11708	7.6
143.08546	0.7
145.02866	1.7
145.06503	0.9
145.09062	1.0
145.10139	15.8
163.03915	100.0
163.07536	2.1
163.11176	23.8
163.12350	3.1
163.14677	0.9
164.04309	1.2
181.98709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
52.41545	0.7
53.03941	3.7
55.01867	1.3
55.05520	5.6
56.96559	1.3
57.03413	1.5
57.07060	3.1
61.02914	1.3
62.87292	0.8
67.05490	1.2
69.03444	5.4
69.07063	2.7
69.66108	3.7
77.03957	1.0
79.05500	14.2
81.01794	0.9
81.03419	2.1
81.07053	2.7
82.06551	0.8
83.04963	1.1
85.02914	4.1
89.03918	9.0
89.06007	1.7
89.65071	0.8
91.05482	21.1
93.07048	40.9
95.04958	3.6
95.08598	2.1
98.97592	1.7
99.04440	3.0
103.03945	2.8
103.05452	2.8
105.03424	1.2
105.04552	2.2
105.07027	14.9
107.04947	5.6
107.08601	84.2
108.08950	1.2
109.06518	2.4
115.05447	1.5
117.03389	9.4
117.05696	1.3
117.07029	4.6
118.29881	0.8
119.01801	0.9
119.04911	1.4
119.06033	1.5
119.08580	10.3
120.08121	1.3
120.09376	2.3
121.06501	3.3
121.09325	1.2
121.10146	13.8
121.96593	1.0
127.03928	2.3
130.06540	4.0
130.07776	1.6
131.04945	1.6
132.08133	4.1
132.97928	0.9
133.02864	3.7
133.10120	0.9
135.04430	20.5
135.08060	4.3
135.11696	100.0
136.12024	2.3
145.02866	6.9
145.06485	1.8
145.10130	7.3
147.09171	1.2
150.76906	0.9
163.03915	41.2
163.07529	4.3
163.08784	0.9
163.11176	23.6
163.12334	2.7
163.14839	2.7
179.45956	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	0.8
53.03954	5.6
55.01875	4.2
55.05523	4.5
56.96551	1.9
57.03431	1.5
57.07080	3.7
61.08516	0.6
65.03951	0.6
67.05496	1.9
68.91955	0.6
69.03093	0.8
69.03437	11.7
69.07062	2.9
71.04990	1.2
73.02929	1.1
77.03920	1.4
78.95258	1.0
79.05495	20.7
80.05014	0.7
80.93156	0.7
81.03400	2.3
81.07070	5.8
81.35470	0.6
83.04989	1.3
84.08115	1.2
85.02901	5.6
89.03929	6.1
89.06028	2.4
91.05486	11.4
92.02567	1.0
93.07051	35.5
93.22945	0.6
95.04978	5.7
95.08614	2.1
97.02882	0.9
97.06551	0.7
98.97583	0.9
99.04462	4.3
100.02475	0.9
103.03967	4.8
103.05455	4.2
105.03398	1.2
105.04518	2.9
105.06396	1.2
105.07037	14.0
106.06548	2.8
107.04234	0.7
107.04963	16.4
107.08604	40.5
109.06519	2.2
115.05449	1.9
117.03391	6.8
117.05682	2.2
117.07021	8.3
119.01794	1.6
119.04933	1.9
119.06155	0.7
119.08594	11.1
120.08092	1.6
120.09431	0.8
121.06516	7.6
121.09334	1.3
121.10157	16.7
121.95770	2.2
121.96606	0.7
125.05258	1.0
127.03917	3.4
130.06534	4.9
130.07787	3.3
131.04955	3.9
132.08115	7.7
133.02837	5.3
133.06505	1.2
134.05800	1.8
135.04433	37.4
135.05486	1.7
135.08070	6.5
135.11699	35.6
143.06273	0.8
143.08572	1.0
145.02870	5.6
145.03929	1.2
145.05051	0.9
145.06462	2.2
145.10132	15.2
148.08824	1.2
163.03918	100.0
163.07535	7.1
163.08636	1.3
163.11174	54.3
163.12335	5.6
163.14825	3.0
164.04222	1.5
164.07068	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03946	4.3
54.12623	0.8
55.01878	7.0
55.05511	5.4
56.96560	4.1
57.03426	2.4
57.07070	1.6
63.02391	0.9
67.05505	7.9
69.03429	10.2
69.07062	3.4
70.91364	1.8
71.04969	2.3
77.03923	1.1
79.05495	27.9
81.03405	2.3
81.07051	12.7
83.04991	2.1
89.03919	42.1
89.06026	1.6
91.05482	14.4
93.07046	42.4
93.07645	2.2
95.02637	1.1
95.04958	8.4
95.08598	5.2
98.97560	0.9
99.04381	1.0
103.03917	1.3
103.05464	1.5
105.04488	1.9
105.07034	23.3
106.06560	1.2
107.02560	2.5
107.04957	18.4
107.08597	33.8
107.09315	2.3
109.06506	2.7
110.01292	1.2
114.04221	1.4
115.05462	1.9
116.03102	2.5
117.03382	39.9
117.05747	1.1
117.07027	10.9
119.08590	10.6
121.06500	10.3
121.10139	9.2
123.03976	0.9
128.04909	1.4
130.06532	2.1
130.07750	4.5
130.37396	1.0
131.04947	1.2
132.08110	2.9
133.02847	3.7
133.10095	0.9
135.04414	71.4
135.08047	3.3
135.11696	17.4
137.05397	2.0
142.04602	2.2
142.37656	0.9
143.08574	2.0
145.02847	33.3
145.03885	1.9
145.06433	1.4
145.10126	28.2
148.07335	1.2
148.08867	1.7
163.03908	100.0
163.11180	84.9
164.04305	1.1
164.11479	1.3
171.07719	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03956	6.2
55.01876	19.7
55.05516	9.4
57.03444	7.8
57.07059	4.5
63.41911	1.0
67.05506	20.8
69.03427	11.5
69.07072	10.3
70.33948	4.2
71.04973	2.5
77.03912	3.0
79.05498	52.4
81.03414	5.9
81.06659	1.6
81.07060	19.9
83.04971	4.9
89.03924	9.4
89.06061	1.7
91.05487	31.9
93.07047	61.2
95.04971	13.7
95.08609	18.5
97.06554	2.1
98.97546	1.5
99.04462	2.5
103.03934	1.3
103.05455	5.0
105.04504	2.9
105.07037	28.2
106.06502	1.6
107.04964	23.6
107.08596	49.1
109.06512	4.9
112.36604	1.2
115.05447	3.6
116.06225	2.7
117.03378	8.2
117.05746	2.1
117.07020	39.3
119.01821	1.9
119.04962	1.6
119.08577	19.8
121.06504	20.0
121.10139	14.0
127.03922	1.6
128.06172	2.2
130.06499	2.9
130.07793	11.0
132.08090	4.6
133.02844	4.8
133.10124	4.7
134.07246	1.6
135.04416	18.2
135.08080	10.2
135.11694	34.9
143.08549	4.4
145.02821	8.7
145.06551	2.9
145.10130	60.3
163.03911	44.2
163.05267	2.8
163.07530	3.2
163.11176	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	(+)-Isoclavukerin A
Peak:m/z	Relative Intensity
53.03954	5.7
55.05501	3.0
57.07063	1.7
61.02911	0.7
67.05503	4.0
69.03426	1.0
69.07074	17.9
70.71566	1.5
70.71917	1.2
77.03922	1.3
79.05073	1.1
79.05497	13.3
80.04999	1.1
81.03411	1.7
81.07065	17.9
83.08608	3.3
84.08143	1.3
85.02904	2.0
89.06023	1.6
91.05485	6.5
92.02633	2.3
93.06487	1.4
93.07049	21.7
95.04974	7.7
95.08611	16.7
100.02486	1.3
103.05446	0.9
105.03406	4.5
105.04517	3.1
105.07008	3.9
106.06557	2.6
107.04966	5.1
107.08600	48.3
109.10185	1.0
117.05757	1.9
117.07005	1.7
118.06493	0.8
119.04932	1.2
119.08601	1.3
120.08075	1.4
121.06467	1.2
121.10156	20.6
130.06529	6.9
131.04903	1.2
132.08102	8.6
133.02853	20.6
135.04431	21.8
135.07982	1.0
135.11685	9.5
145.10109	1.4
163.03912	100.0
163.07544	1.9
163.08644	1.7
163.11067	7.7
163.12352	5.8
163.14824	77.6
164.04231	1.4
164.15182	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85358	0.5
57.15099	0.5
61.29630	0.5
67.95745	0.6
71.02435	0.9
82.01435	1.7
82.99846	12.3
89.97352	0.5
100.02496	1.1
101.00887	74.5
102.00942	1.1
119.01928	89.8
120.02044	0.9
124.01611	1.2
124.02468	17.6
137.02956	10.7
142.03506	100.0
143.03616	2.4
147.04419	1.4
160.04561	12.3
161.04839	0.6
165.05154	1.1
172.20270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37748	0.8
52.11538	0.8
70.09283	2.4
71.54317	0.6
82.01450	1.2
82.99839	10.1
91.05490	1.3
101.00887	70.4
102.00991	1.1
111.00425	0.7
119.01924	87.3
119.04939	1.8
120.02004	1.2
124.02451	16.3
137.02977	8.6
142.03505	100.0
143.03677	1.5
147.04420	4.3
160.04556	14.7
165.05128	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
51.07786	0.2
53.03947	0.3
53.82519	0.3
55.01876	0.4
55.05507	0.7
56.96568	1.5
65.03944	0.9
65.05087	0.3
67.05491	0.9
69.03442	0.7
70.95802	0.6
79.05484	0.8
81.03411	0.6
81.07054	1.5
81.40264	0.3
82.99834	0.4
83.04991	0.3
85.61893	0.3
91.05486	21.1
93.07044	0.9
95.04980	1.4
95.08601	1.0
101.00888	3.1
105.07026	1.1
107.08602	1.0
109.02889	0.4
109.06510	1.0
109.10166	0.7
110.03076	0.4
117.07015	0.4
119.01943	6.4
119.04946	43.4
119.08584	2.5
120.05255	0.4
120.08101	0.4
121.10171	0.3
123.04435	1.8
123.08067	0.9
123.11700	0.3
124.02473	0.5
137.02956	1.1
137.05960	0.9
137.09613	1.2
142.03502	5.7
147.04416	100.0
147.11673	1.0
148.04761	0.9
160.04539	1.0
165.05499	2.0
165.07869	0.4
165.09041	1.7
165.12737	1.0
166.08665	0.4
184.91643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03949	0.6
55.05509	0.9
56.96560	0.3
57.03423	0.5
65.03937	0.9
67.05506	2.2
69.03438	0.4
69.66454	0.4
69.66881	0.8
71.04964	0.2
79.05504	1.1
81.03436	1.1
81.07061	2.9
83.01540	0.2
83.04983	0.7
91.05485	18.0
93.07056	1.4
95.04972	3.7
95.08605	1.7
95.33571	0.2
97.06535	0.8
101.00879	2.2
101.02570	0.6
103.05479	0.4
105.07044	2.1
107.08607	0.8
108.14041	0.2
109.06523	1.1
109.10157	1.4
119.01938	5.6
119.04946	40.0
119.08572	2.3
120.01981	0.2
120.05283	0.5
120.08110	0.2
121.06505	0.2
121.10156	1.1
122.07274	0.4
123.04441	4.6
123.08077	0.8
123.11738	0.3
124.02470	0.5
137.03026	1.4
137.05995	0.5
137.09612	2.0
142.03510	5.0
147.04414	100.0
147.11696	1.5
148.04738	1.1
160.04570	1.2
165.01836	0.4
165.05563	2.3
165.06888	0.4
165.09114	3.8
165.12769	4.4
166.04991	0.3
177.78441	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03939	1.6
55.01858	2.7
55.05511	8.0
57.03424	3.9
57.07063	3.6
59.04990	2.5
61.02925	0.9
65.03927	2.6
67.05507	26.0
69.03438	8.6
69.07062	7.4
70.57877	0.9
71.04995	1.5
71.51087	1.3
77.03913	1.0
77.67564	1.0
79.05498	14.4
80.94970	0.9
81.03416	6.2
81.07059	30.1
83.04974	4.1
83.08621	2.7
89.34836	1.0
91.04903	1.5
91.05481	31.8
93.07054	9.9
95.04967	44.8
95.08608	28.9
97.06494	1.2
101.00879	10.8
103.05441	1.3
105.07037	18.1
107.04968	5.6
107.08599	44.6
109.05800	1.6
109.06519	24.2
109.10155	8.6
110.07345	1.4
111.08115	1.0
117.07014	3.3
119.01064	1.4
119.01927	24.8
119.04115	1.6
119.04945	31.4
119.06161	1.3
119.08582	40.8
120.08102	3.2
121.06501	2.4
121.10149	10.5
123.04419	3.8
123.08070	43.9
123.11710	30.2
124.02425	3.0
129.07014	1.7
131.91891	0.9
132.05681	2.0
133.02866	0.9
136.04408	0.9
136.08798	1.2
137.02992	4.7
137.05972	2.5
137.07927	1.1
137.09641	6.9
137.12357	1.3
137.13252	5.4
140.34764	1.0
141.87000	0.9
142.03508	24.2
147.04416	69.2
147.08046	23.5
147.11682	13.4
160.04538	5.0
165.01854	1.0
165.05457	3.5
165.09111	17.6
165.12758	100.0
166.04990	1.0
166.08665	1.1
166.13168	1.4
169.80675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03944	2.3
54.24287	0.7
55.01878	1.4
55.05510	11.0
56.96566	1.2
57.03421	0.6
57.07073	1.5
59.05001	3.2
65.03937	0.8
67.05507	4.5
69.03426	2.4
69.07069	39.3
69.35407	2.7
69.35837	2.4
69.66322	0.6
70.48325	0.6
79.05495	19.6
81.03445	0.8
81.07053	12.6
83.04974	2.6
83.08608	3.0
84.96058	3.3
85.06571	0.9
91.05485	11.4
93.07047	73.4
94.06557	0.6
95.04971	2.9
95.08064	0.9
95.08612	11.0
97.06538	7.5
97.10170	1.6
98.06072	0.8
98.20639	0.7
100.11290	1.1
102.97073	0.8
103.00635	1.3
103.05484	1.7
105.04488	1.3
105.07033	17.9
106.07844	1.0
107.04935	1.1
107.08588	5.9
109.06517	1.8
109.10159	1.5
111.04454	1.2
111.11725	8.8
119.08578	3.7
121.01642	2.9
121.02908	0.8
121.06522	1.8
121.10146	100.0
122.10492	0.9
123.04416	1.2
123.08073	5.0
125.06010	0.7
125.09674	1.0
126.09106	0.9
127.15606	0.6
131.08568	1.5
133.07578	3.2
139.07552	1.0
139.11208	3.4
144.03232	2.7
146.17340	0.6
149.02345	3.6
149.06026	0.9
149.09625	18.5
150.05405	0.7
156.36937	0.6
163.03949	1.6
167.03394	2.0
167.07062	4.1
167.08408	1.3
167.10675	44.7
168.10953	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.1
55.01879	3.6
55.05275	2.5
55.05513	35.5
56.96564	3.6
57.03416	6.3
57.07061	5.4
61.30705	2.1
62.83462	1.7
65.03941	2.0
67.05507	48.4
69.07072	89.9
71.05006	13.1
71.33085	1.9
71.52349	3.3
77.96156	1.9
79.05496	44.8
81.03389	3.0
81.06596	3.2
81.07065	67.2
83.04986	5.6
83.08626	72.6
84.96018	9.2
85.06525	13.0
91.05474	11.2
91.87914	1.9
93.07053	51.3
95.04962	3.9
95.08614	17.7
97.02880	2.7
97.06528	20.1
97.10165	5.8
99.08100	3.6
103.00641	3.6
105.07021	4.7
107.04944	4.0
107.08601	48.5
109.02883	3.7
109.06527	5.8
109.10165	7.4
111.08086	22.8
115.51856	1.8
121.01662	10.8
121.06474	5.4
121.08430	3.1
121.10152	30.9
123.08098	3.5
123.11693	8.1
125.06055	1.8
125.09610	5.7
131.08548	3.2
139.02751	3.4
139.07535	3.9
143.03755	2.2
144.03288	11.9
149.02406	10.7
149.06000	5.2
149.09618	7.1
149.13266	92.1
162.04239	2.3
167.03426	7.3
167.07033	14.5
167.08618	6.0
167.10637	12.8
167.12083	3.9
167.14326	100.0
168.06625	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	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03933	4.5
54.08339	1.3
55.01886	3.2
55.05514	45.5
56.96563	3.5
57.03448	8.6
57.07061	4.5
65.03948	2.1
65.38200	1.4
67.05510	51.6
69.03432	3.0
69.07073	100.0
71.05000	13.1
71.51844	3.0
79.05498	41.6
81.07061	65.5
83.04991	8.4
83.08626	82.8
84.96030	6.0
85.06551	12.7
91.05495	7.6
93.07050	55.0
95.04961	3.1
95.08620	16.4
97.06543	22.3
97.10168	5.9
99.08091	4.6
103.00594	1.8
104.51631	1.6
105.03401	2.1
105.07034	3.1
107.04961	2.2
107.08598	45.3
109.06519	4.9
109.10153	6.2
110.44027	1.2
110.51099	1.5
111.04466	2.3
111.08086	26.4
121.01677	7.8
121.06525	4.6
121.08395	2.0
121.10145	23.2
123.04433	2.5
123.08061	2.0
123.11700	5.7
125.05979	2.0
125.09630	6.0
131.08577	1.8
139.03798	1.9
139.07558	3.2
143.96718	4.2
144.03227	6.8
147.11588	2.1
149.02376	8.2
149.05980	2.4
149.09726	7.2
149.13266	87.4
167.03510	3.2
167.07039	9.9
167.08566	5.0
167.10683	10.6
167.14330	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1431
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03936	6.2
55.01860	3.9
55.05511	36.4
55.16999	1.8
56.96551	2.8
57.03420	7.1
57.07062	5.7
59.05003	3.3
60.38639	1.9
61.20401	1.4
65.03929	2.1
67.05508	49.5
69.03422	3.1
69.07071	100.0
70.23515	1.8
70.23849	5.4
71.04996	15.6
72.16505	1.5
79.05493	40.8
81.07062	71.3
83.04987	5.5
83.08624	87.0
84.96036	3.8
85.06561	10.7
91.05468	8.8
93.07044	53.5
95.04955	4.5
95.08609	19.2
97.06532	22.1
97.10147	6.5
99.08096	6.1
99.43504	1.5
103.00590	2.4
105.07035	4.4
107.04925	2.2
107.08601	52.1
109.06539	1.9
109.10142	6.8
111.04457	2.0
111.08086	28.4
121.01669	4.5
121.06527	1.9
121.10146	28.2
123.11693	5.5
125.09604	5.8
131.08533	2.5
135.30647	1.6
139.07486	1.9
144.03236	3.2
149.02367	5.2
149.06032	2.2
149.09616	5.2
149.13264	98.0
167.03424	5.0
167.07047	6.9
167.08539	2.9
167.10649	6.4
167.14319	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1433
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03949	4.0
55.01867	3.9
55.05515	83.4
57.03428	3.6
57.07080	4.1
59.04752	1.1
59.05006	12.6
65.03925	1.5
67.05172	1.3
67.05509	14.5
69.03432	24.2
69.06737	1.0
69.07076	12.5
69.46896	5.4
71.05006	4.6
79.05501	22.7
81.07068	17.5
83.04986	100.0
83.08623	42.7
83.09129	1.9
84.96044	1.1
85.02921	1.0
85.06557	9.3
91.05467	5.1
91.40584	0.8
93.07048	16.2
95.04968	2.7
95.08622	10.2
97.02857	1.0
97.06519	6.5
97.10179	15.0
99.04470	1.4
99.08097	2.4
103.00665	1.3
105.03384	2.0
105.07010	3.9
107.04961	2.0
107.08604	22.1
109.06527	3.5
109.10163	24.0
111.04443	2.2
111.08085	30.3
112.08874	7.6
113.09678	4.2
121.01707	2.4
121.02887	0.9
121.06514	2.7
121.08435	2.9
121.10145	19.0
123.04411	2.1
123.08060	1.2
123.11707	11.4
125.06024	1.6
125.09623	16.0
131.08557	1.3
135.23082	0.9
139.03937	1.2
139.07545	1.2
139.11192	1.8
144.03252	2.8
149.02400	5.1
149.06056	1.1
149.09642	4.9
149.13261	7.9
151.03964	1.1
152.04675	1.2
162.04213	1.0
167.03465	5.1
167.05634	1.4
167.07062	9.4
167.10654	4.6
167.14331	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03955	5.5
54.13581	1.0
54.41037	0.9
54.97212	0.9
55.01867	3.3
55.05515	98.9
57.03438	2.6
57.07077	3.2
57.10938	1.0
59.05008	11.1
64.73902	1.1
67.05512	19.1
69.03434	23.3
69.07079	11.9
71.04982	3.3
78.04716	1.4
79.05492	18.5
81.07066	17.4
83.04987	100.0
83.08624	46.2
83.09123	2.2
85.06555	10.7
91.05489	6.3
93.07053	16.6
94.86021	1.0
95.04972	3.3
95.08636	9.7
97.06539	6.6
97.10172	14.5
99.08097	3.1
103.00620	1.7
105.03407	1.8
105.04522	1.1
105.07047	5.0
106.04185	1.1
107.04951	2.2
107.08606	24.6
109.06511	2.7
109.10173	26.8
109.10882	1.2
111.04443	1.0
111.08092	33.3
112.08859	7.7
113.09669	4.4
120.08139	1.8
121.01682	3.2
121.06506	4.9
121.08441	8.0
121.09296	1.8
121.10163	17.9
121.10971	0.7
123.04430	1.9
123.08067	4.5
123.11727	12.3
125.05984	1.2
125.08767	2.0
125.09644	18.6
131.08606	1.9
139.07507	2.5
139.11182	2.9
144.03252	2.7
149.02356	2.9
149.05995	1.2
149.09637	3.9
149.13255	8.8
152.04671	1.4
167.03410	2.5
167.07037	10.5
167.08253	1.4
167.10677	6.8
167.14330	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
53.92398	0.2
55.01858	0.2
57.03438	0.3
61.02926	0.3
65.03959	0.3
67.05177	0.3
67.05510	3.1
67.92512	2.0
69.03426	0.4
69.07057	0.2
71.20515	0.4
73.02916	0.5
79.05493	0.5
81.03416	0.4
82.01456	1.4
82.94386	0.3
82.94848	4.1
82.99854	0.2
84.99600	0.3
85.02917	0.3
85.93578	0.3
87.01890	0.3
89.00802	0.2
94.02641	0.2
94.06571	11.4
95.01627	0.2
95.04957	0.3
96.02372	0.3
96.56235	0.2
97.02908	0.5
100.02481	2.0
101.00871	0.9
102.02364	0.7
103.00648	1.6
103.03223	0.3
104.00972	0.6
106.06560	3.8
108.67655	0.2
110.52309	0.2
111.02902	0.4
113.00867	0.7
115.02431	0.8
117.02174	0.6
117.02946	0.7
117.03780	0.2
118.03563	0.7
119.01902	1.0
119.03759	0.3
121.01662	2.4
122.02038	0.8
122.06036	7.9
123.02867	0.3
123.97468	2.8
125.02633	0.3
126.93774	1.5
126.98783	0.6
127.02467	0.7
127.03953	0.3
128.39363	0.2
131.01900	1.0
131.02737	0.2
133.03488	1.5
135.03207	0.2
137.04704	0.2
139.02667	0.2
140.05589	0.2
144.03235	1.3
144.94820	2.5
144.99858	1.2
145.01733	0.3
145.03542	2.8
147.03001	0.2
149.03052	0.2
150.05508	100.0
151.05850	1.0
157.03476	0.2
161.02931	0.5
162.03108	0.2
162.95882	2.0
163.02681	0.8
163.04591	0.5
165.16670	0.2
167.96394	1.1
168.01433	0.6
168.05112	0.7
168.06541	4.9
173.03003	0.6
174.03064	0.3
179.04063	0.3
185.97525	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
53.03791	0.3
53.04010	0.6
55.01965	0.3
55.05600	0.3
56.96626	0.4
57.03499	0.3
59.84498	0.2
65.03993	0.6
67.05595	3.7
67.92601	3.2
69.03520	1.6
69.76699	1.1
70.06650	0.4
71.05053	0.4
72.93854	0.3
73.03004	1.3
79.05544	0.5
80.05087	0.3
80.05884	0.6
81.03499	0.9
82.01514	0.4
82.94853	7.1
84.04572	0.3
84.08224	0.8
85.02985	0.8
85.93615	0.5
90.94964	0.3
94.06035	0.5
94.06574	12.3
95.05012	0.4
96.04553	0.5
97.02980	0.5
98.06161	0.2
98.97627	0.4
99.04518	0.4
100.02499	1.4
100.95945	0.6
101.00967	1.1
102.01019	0.4
102.02444	0.6
103.00650	3.1
103.02566	0.3
103.03226	0.4
103.98343	1.7
104.00958	1.3
106.06556	3.5
108.04507	0.4
108.08186	0.3
109.02894	1.5
110.06104	0.4
111.02985	0.4
113.00950	0.3
115.02460	0.6
115.03224	0.4
117.00286	0.3
117.02206	0.4
119.01939	1.6
120.02082	0.5
120.03348	0.3
120.42343	0.2
121.01680	6.3
121.02431	0.5
121.99374	2.0
122.01983	2.7
122.06036	9.2
122.09664	0.3
123.97470	5.0
123.98292	0.5
126.02238	0.4
126.05584	0.8
126.93790	2.4
127.01674	0.3
127.02518	1.2
127.03976	1.1
127.65045	0.3
131.01912	0.9
132.02045	0.5
133.03506	1.1
135.03189	0.3
136.03772	0.3
138.05441	0.4
139.02710	1.0
140.00439	0.7
140.03207	0.5
140.05692	0.5
140.07074	0.7
140.95140	0.4
142.03583	0.5
143.01924	0.5
144.03270	3.2
144.04999	0.4
144.94839	4.1
144.95860	0.6
144.99817	0.6
145.00890	3.4
145.03539	8.8
150.05511	100.0
151.05859	1.3
157.03459	0.4
161.02950	0.6
162.04279	0.6
162.95871	4.5
163.01836	1.5
163.04578	1.7
167.96445	1.8
168.05112	2.1
168.06538	10.0
168.07997	0.5
168.10143	0.8
168.13744	0.5
173.02948	0.3
175.53296	0.3
185.97466	1.3
186.06079	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03941	0.4
55.01871	0.7
55.05507	0.8
56.96584	0.4
57.01794	0.3
65.03931	0.6
67.05486	0.8
68.99780	2.5
70.75195	0.7
79.05508	0.6
80.02647	0.4
81.03449	0.6
81.07062	1.0
83.04970	0.5
85.02896	0.4
95.04987	0.6
95.08598	0.5
97.02919	1.0
98.03663	2.6
105.07050	0.5
109.02892	1.6
109.06557	0.4
111.00810	21.6
111.04490	0.8
112.01090	0.4
113.06054	0.6
123.08100	0.9
126.03142	28.9
141.05470	100.0
142.05763	0.8
169.04971	60.6
170.05252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
55.01880	0.5
65.03946	0.4
66.28771	0.3
67.61378	0.3
68.99789	2.6
70.28188	1.4
72.32952	0.4
80.02654	0.4
81.03416	0.3
95.08663	0.4
97.02921	0.6
98.03672	2.5
99.04458	0.4
108.48386	0.4
109.02897	0.9
111.00809	22.6
111.04478	0.3
113.06025	0.4
123.08094	0.3
126.03142	28.1
141.05470	100.0
142.05827	1.0
169.04974	59.4
170.05258	0.7
174.20276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	3,4-Dihydroxymandelaldehyde
Peak:m/z	Relative Intensity
53.03936	0.7
55.01877	6.4
55.05494	1.4
56.96557	0.8
57.07082	1.3
61.66514	0.6
65.03945	74.6
67.05231	0.6
67.05510	6.3
68.99826	0.6
69.03410	1.4
69.07066	3.8
69.35998	2.7
69.36413	1.7
71.04988	1.8
79.05482	1.6
81.03410	2.2
81.07058	5.7
83.08629	0.6
84.03463	0.5
85.02899	0.7
85.06537	1.6
91.05471	1.0
91.63152	0.5
92.10902	0.7
93.03413	66.2
93.07055	1.4
94.03713	0.8
95.04986	2.2
95.08617	6.0
97.06543	1.9
99.04440	1.4
105.04479	0.8
105.07051	2.2
107.04956	1.1
107.08597	1.9
108.02118	0.8
109.02891	3.6
109.06518	1.9
109.10162	11.7
110.03676	15.8
110.06022	0.6
111.00814	1.4
111.04449	100.0
111.08085	11.7
112.04770	0.7
113.06021	0.9
121.10125	0.9
123.04445	2.5
123.08087	3.4
123.11716	3.3
124.04642	1.1
125.06001	47.4
126.03166	1.7
126.06257	1.0
127.03928	0.7
127.11201	10.8
133.10155	1.0
134.06033	2.8
137.02382	0.7
141.05481	7.2
151.03922	24.5
151.05022	2.2
151.07579	1.3
151.11136	2.2
154.02664	0.9
163.97801	1.0
169.04974	18.8
169.06398	1.3
169.08742	1.0
169.10004	1.2
169.12250	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	169.0861
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
50.51632	0.4
53.03944	0.7
55.01877	100.0
55.05519	1.8
65.03954	1.2
67.05513	9.0
69.03432	0.6
69.07074	28.7
71.05001	0.9
71.24665	0.5
71.25007	0.8
79.05499	7.2
81.03431	1.1
81.07063	5.5
83.08625	0.4
84.83596	0.5
91.05495	7.2
93.07061	3.3
95.04990	1.0
95.08614	50.4
97.06541	14.0
97.07162	0.8
99.04475	1.0
105.07038	11.0
107.04971	2.2
107.08606	12.5
109.02913	0.9
109.06531	15.6
109.10176	0.6
111.04488	1.0
119.06103	1.3
123.08075	19.7
123.11755	1.1
126.03180	0.7
127.07616	0.9
133.06523	2.4
140.43456	0.5
141.05505	2.5
141.07054	0.6
145.96632	0.5
151.04010	0.6
151.07555	9.7
151.08652	0.8
161.02480	0.5
169.05042	2.0
169.08649	11.9
169.10095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0861
Annotation	Methylhexahydrophthalic anhydride
Peak:m/z	Relative Intensity
53.03948	0.9
55.01877	100.0
55.05515	2.6
56.02208	0.5
56.96571	2.4
57.07087	0.5
59.94833	0.5
61.01168	1.0
65.03954	1.7
65.13307	0.4
67.00504	0.5
67.05511	14.2
69.03413	0.5
69.07072	31.8
69.83495	2.4
71.04998	1.6
72.04505	0.5
73.93763	0.4
78.95126	0.5
79.05503	9.9
81.03427	1.4
81.07066	9.9
83.04996	1.0
83.08614	0.9
85.02937	0.8
85.06558	1.2
91.05491	6.5
93.07062	3.8
95.04993	2.1
95.08614	53.7
96.08962	0.6
96.92433	1.1
97.06537	16.5
98.21407	0.8
99.04462	1.2
102.03395	0.9
104.18111	0.5
105.07036	12.4
107.04972	2.2
107.08595	12.5
107.09296	0.8
109.02917	1.9
109.06525	15.4
109.10154	4.2
111.00904	0.6
111.04507	2.3
111.08131	1.0
115.04173	0.6
115.14824	0.6
119.06117	0.9
123.04482	1.3
123.08072	19.0
123.11746	2.1
124.03952	0.4
124.04638	2.5
124.95504	3.5
125.06003	0.6
126.03190	1.4
127.03972	0.7
127.07589	1.1
128.95134	0.6
133.04178	0.6
133.06517	2.5
133.10187	1.6
141.05470	5.6
141.07071	0.8
142.04707	0.9
146.04214	0.6
151.03889	1.1
151.07564	9.8
151.11217	1.0
152.07059	0.7
163.97794	0.7
168.98163	0.9
169.05002	4.3
169.07379	0.6
169.08667	11.5
169.10109	1.8
169.12271	0.6
170.08136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1169
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
52.75355	0.5
53.03971	0.6
55.01879	1.2
55.05517	6.4
56.96578	2.2
57.03447	1.5
57.07081	0.6
59.05019	0.6
65.03941	0.7
67.05507	1.7
68.99790	1.5
69.03454	1.3
69.07071	3.5
70.06609	0.6
70.94263	2.1
71.05004	1.8
71.50916	0.5
72.04520	15.6
72.08167	1.5
75.04494	0.5
79.05499	4.7
81.03416	0.8
81.07059	2.4
83.04992	2.1
83.08625	4.6
84.08144	0.9
85.02907	3.5
86.09717	1.9
87.04485	1.0
88.95311	1.4
89.07162	13.3
91.05471	1.1
93.07057	2.9
95.04984	0.8
95.08586	0.6
95.82005	0.5
97.02909	0.9
97.06530	1.9
97.10180	1.1
98.97583	0.8
99.04500	0.7
101.93120	0.5
103.05488	0.6
105.07056	1.9
107.04977	0.7
107.08602	2.7
109.06512	0.7
109.10181	1.2
110.01271	0.9
111.00773	1.2
111.04459	2.2
111.08085	1.8
111.96869	0.7
112.07640	0.8
115.05441	1.6
119.01805	1.6
125.06000	1.7
125.07093	0.7
125.07967	0.8
125.09637	2.5
128.02318	1.2
128.06226	21.5
129.07030	8.7
130.04710	0.5
130.07751	0.6
131.08519	0.6
135.08064	0.9
138.54991	0.5
139.00255	1.4
139.03905	1.1
139.53065	0.6
141.06993	7.5
142.07790	21.7
143.08568	100.0
144.08894	0.7
145.06485	0.8
147.94472	0.6
147.96523	1.0
152.23280	0.5
153.05492	1.2
153.09114	0.8
154.12218	0.7
155.06046	1.6
155.08557	1.8
156.09358	34.1
157.01276	0.5
157.09653	0.5
165.97661	1.2
171.02879	2.2
171.04214	0.8
171.05461	0.8
171.06693	0.9
171.08084	1.3
171.10132	1.3
171.11693	39.3
171.14908	11.3
171.18605	0.6
172.12093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	(1R,2R,4S)-p-Menth-5-ene-1,2-diol
Peak:m/z	Relative Intensity
53.03931	1.2
55.05513	12.9
57.03451	1.9
57.07072	2.2
59.04994	2.2
61.02924	2.1
67.05511	15.5
69.07076	9.0
69.49975	2.0
69.50383	5.9
71.04965	1.2
71.08238	2.0
71.08635	37.7
72.04523	45.9
79.05492	3.8
80.05842	3.0
81.07054	11.7
82.07389	1.2
83.04989	1.6
83.08614	12.3
84.04512	1.8
85.06536	4.7
89.07157	38.7
91.05473	1.6
93.07050	4.7
94.07381	2.3
95.08608	6.9
97.06569	7.6
98.04578	1.1
99.08099	29.4
101.06034	4.6
107.08597	5.6
108.08940	3.9
109.10161	18.2
111.08063	7.1
112.07602	1.2
119.08522	1.0
125.09659	1.6
126.09164	1.3
128.06236	2.3
129.06976	1.5
130.05031	2.1
135.11690	3.2
136.08386	2.7
140.23875	1.1
153.12744	3.6
155.10698	1.3
156.09337	1.8
171.06586	1.2
171.11548	4.5
171.13809	100.0
171.15001	29.4
173.11740	3.6
188.63297	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1325
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
52.09560	0.4
55.01851	0.7
55.05518	6.9
55.58521	0.4
57.03442	0.5
57.07077	1.6
58.07431	0.6
58.54987	0.5
59.05005	1.4
65.03937	0.6
67.05515	3.4
69.07066	0.6
71.08642	1.0
71.52450	0.9
72.93798	3.9
73.49254	0.6
74.06062	0.8
76.02222	0.9
79.05491	1.7
81.07076	2.8
83.04999	5.8
86.06147	0.5
87.04476	1.0
88.07626	1.6
89.07986	1.0
90.90396	5.0
90.94845	4.6
91.05491	9.4
93.07056	0.8
96.85487	0.5
101.06030	4.4
102.09202	0.7
102.87676	0.6
103.03293	1.5
103.09519	0.7
105.07038	9.5
105.15272	0.5
108.95890	0.8
109.10181	1.4
111.04449	9.3
113.06030	0.9
113.96398	0.9
115.05444	1.6
116.06223	1.3
117.07019	6.1
119.08589	8.3
125.83253	0.5
127.07542	0.9
128.06250	0.6
129.05487	2.0
129.07011	6.4
130.07816	2.2
131.08578	68.2
131.93004	2.9
132.08946	0.8
133.10138	2.0
137.06004	0.6
142.07813	1.4
143.08574	17.1
143.09714	0.9
144.09363	5.2
145.06509	0.9
145.10135	21.4
149.94080	5.7
149.96123	1.5
155.03410	0.5
155.07057	6.4
155.08365	0.6
156.09389	0.7
157.10120	0.9
158.07333	1.3
158.10930	26.4
159.11484	0.6
167.97166	1.5
171.11710	1.8
172.95683	1.1
173.02380	0.6
173.04546	0.6
173.05913	1.0
173.08226	12.6
173.09691	4.3
173.13278	100.0
173.17316	11.4
174.12634	0.7
182.28770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
51.02375	0.6
53.03941	1.6
55.01870	6.0
55.05510	2.6
57.03442	5.5
59.04991	0.9
65.03934	1.3
67.05511	9.9
69.03433	1.6
69.07079	4.7
69.20123	4.0
69.20547	2.6
70.06592	2.4
71.05000	1.2
78.01446	0.6
79.05498	11.5
79.05927	1.3
81.03438	1.1
81.07064	9.2
83.04989	4.3
85.02880	0.7
87.04485	1.0
91.05486	94.3
92.90073	1.0
93.07049	8.6
94.82366	0.6
95.04961	3.6
95.08617	1.4
97.02898	3.1
97.06535	3.2
98.03698	1.0
98.98473	18.5
103.05433	1.4
105.03403	2.2
105.07034	34.5
107.04944	6.0
107.08585	1.5
109.06550	1.6
111.04440	1.1
115.05458	5.0
116.06228	1.5
116.97240	1.2
117.07050	3.4
119.04981	1.2
119.08588	31.0
121.06496	1.0
127.03902	0.6
128.06219	2.6
129.05576	0.8
129.06033	1.1
129.07016	35.0
131.08575	42.0
133.06497	8.1
133.10129	18.3
133.92888	1.2
139.03915	0.9
142.07790	10.4
145.10153	2.0
146.07262	0.9
147.04379	0.8
147.08072	5.0
147.11682	13.1
150.03970	0.6
150.72116	0.6
151.93875	2.6
157.04283	0.7
157.10135	48.6
158.10542	0.8
161.57214	0.6
175.01581	0.7
175.03906	1.0
175.07799	2.2
175.11194	100.0
175.14671	7.4
176.07028	0.8
176.11615	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01868	2.2
55.05507	5.5
56.96552	1.2
57.03167	1.4
57.03437	22.6
59.05022	0.9
63.75828	0.8
67.05504	12.3
69.03412	3.1
69.07053	3.8
70.06579	2.7
70.09127	3.2
71.06047	0.8
79.05489	8.9
81.07053	3.8
85.02891	0.8
87.04467	1.5
91.05482	22.3
92.90038	1.5
93.07008	4.1
95.04964	13.2
95.08618	1.4
97.02882	4.0
98.03671	1.1
98.98464	27.4
103.05483	1.7
105.03378	1.3
105.07031	30.9
105.37493	0.8
107.04948	8.0
107.08562	2.2
111.04426	2.2
115.03896	0.9
115.05463	2.9
117.07007	6.6
119.04914	1.6
119.08579	68.8
121.06498	3.5
127.03939	1.1
128.06189	2.2
129.07008	9.3
131.04926	3.4
131.08546	6.1
132.05701	2.1
133.06491	28.5
133.10124	18.2
133.92790	1.3
135.08049	1.7
141.07028	1.8
142.07771	11.6
143.06068	0.9
145.06473	6.2
145.10155	2.6
146.07268	28.6
146.08441	1.5
147.08046	66.4
147.11685	23.0
151.93872	2.6
157.04201	1.9
157.07626	2.5
157.10127	12.9
160.08849	6.5
175.03819	1.2
175.06149	1.8
175.07611	4.0
175.11177	100.0
175.14679	10.3
176.11557	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03926	2.0
55.01871	7.4
55.05513	7.0
56.27295	0.8
56.41770	0.8
56.96309	0.8
56.96571	12.6
57.03429	1.9
59.05005	1.8
60.05652	1.0
65.03936	1.0
67.05505	11.0
69.03434	2.2
69.07076	7.7
69.64014	5.0
70.06601	3.9
73.06562	1.0
75.70813	0.8
75.95220	0.7
79.05495	13.6
81.03428	4.8
81.07064	15.3
83.04991	4.1
83.08640	3.9
85.02894	1.3
87.04473	3.1
91.05487	74.7
93.07053	7.1
94.01833	4.6
95.04974	8.3
95.08598	3.4
97.02911	6.4
97.06534	3.0
98.03679	1.9
98.21492	1.7
98.98476	27.1
103.02329	3.8
103.05489	1.1
105.03384	2.0
105.04543	0.9
105.07039	33.5
107.04962	7.9
107.08600	3.0
109.06530	1.5
111.04449	3.0
113.02540	1.4
115.03960	2.4
115.05473	4.3
115.07556	1.5
116.06251	2.3
117.07016	4.4
119.04980	2.1
119.08588	42.5
121.06520	1.8
121.10222	0.8
122.03072	1.1
125.02364	1.0
125.04417	1.4
127.03933	2.2
128.06219	2.5
129.05548	1.6
129.07013	26.0
131.08577	27.7
133.06506	7.4
133.10143	38.5
134.04898	9.6
139.03859	1.4
141.06995	1.1
142.07776	9.1
143.05432	27.9
143.55614	1.9
145.10139	4.5
145.55663	2.1
146.10979	0.9
147.04425	2.1
147.08035	5.6
147.11697	19.0
151.93994	1.8
152.05949	8.7
154.56247	4.0
157.01727	2.8
157.04280	0.9
157.06442	1.3
157.10135	37.1
159.86578	0.9
160.08812	1.1
163.56763	1.1
175.02713	1.7
175.04010	1.2
175.06059	2.4
175.07599	5.1
175.11194	100.0
175.14792	27.3
175.18881	2.6
183.21608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	L-arginine
Peak:m/z	Relative Intensity
53.15042	0.9
55.01871	1.4
55.05498	2.2
56.48757	1.1
60.05656	37.7
67.05504	1.1
69.03422	2.0
69.28448	7.0
69.32063	0.9
70.06599	100.0
71.04984	3.4
72.08163	22.2
81.03405	0.9
84.08127	2.8
85.02880	2.1
87.04470	3.5
87.14947	0.9
88.07607	1.0
91.05520	0.9
97.02901	3.4
98.03654	1.3
98.06066	7.4
98.21507	1.8
98.98473	8.5
103.02484	1.3
106.37523	1.0
111.04453	2.5
112.07635	2.6
112.08761	4.3
114.05547	3.2
115.03941	0.9
115.05863	1.2
115.08701	1.6
115.40115	0.8
116.07105	37.9
118.08681	1.5
119.01938	1.9
119.08556	1.1
127.03969	1.5
129.05507	1.0
129.10233	1.8
130.08786	1.3
130.09761	15.2
130.10626	1.4
132.02119	5.1
133.03491	2.1
139.03938	1.0
140.07069	1.3
157.10899	2.1
158.08144	1.5
158.09262	9.6
174.89616	1.1
175.04552	1.5
175.06087	1.0
175.07532	0.9
175.11938	33.6
175.15135	1.6
176.01137	1.1
176.10397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03955	1.0
55.05516	8.1
55.66231	0.6
57.07065	0.9
59.05436	0.7
67.05494	2.1
69.07073	11.5
69.33150	3.3
69.33569	2.1
70.06581	1.0
79.05490	4.2
81.07059	16.8
83.08617	2.9
91.05486	13.0
93.07048	7.0
95.04983	0.7
95.08618	11.4
97.02885	1.4
98.98466	7.5
105.07037	46.6
107.08604	8.8
115.05387	0.7
117.07030	3.1
119.08589	77.6
120.09396	0.8
121.10188	1.8
129.07008	1.4
130.06490	0.9
131.08592	8.6
132.09399	1.1
132.95912	0.7
133.06590	0.9
133.10139	56.0
145.10146	3.1
146.10928	3.2
147.11697	18.5
157.10117	1.5
160.12483	2.0
173.13258	1.8
175.11360	6.4
175.14841	100.0
176.15173	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03945	0.6
55.05513	9.1
57.07088	1.1
65.03941	0.4
65.21245	0.4
67.05518	3.2
69.07070	22.7
70.53354	1.0
70.53725	1.0
79.05496	3.7
81.07058	8.5
83.08620	4.6
91.05481	10.6
91.06028	0.8
93.07053	4.2
93.91660	0.4
95.04990	0.5
95.08622	8.1
97.02889	1.0
98.98477	4.2
103.05491	0.8
105.07038	29.3
107.08599	5.5
110.98515	0.4
117.07021	2.8
119.08588	87.7
120.08859	0.5
121.10093	2.5
129.06993	1.1
131.08566	5.5
132.09351	0.6
133.10138	69.4
134.10493	0.5
135.11713	0.8
142.07745	0.4
145.10133	4.7
146.10887	1.4
147.08075	0.6
147.11697	12.2
147.13487	0.5
157.10114	1.2
159.11676	0.7
160.12482	3.0
173.13306	2.5
175.07622	1.1
175.11461	4.3
175.14830	100.0
176.15208	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.05514	9.5
57.07075	1.0
60.58163	0.5
67.05513	3.0
69.03427	0.9
69.07073	22.6
69.37733	3.4
72.45439	0.5
79.05501	4.8
81.07057	9.3
83.08626	6.1
87.04490	0.6
91.05486	12.1
93.07043	4.7
95.08617	7.5
97.02893	0.9
98.20727	0.5
98.98473	4.6
103.05470	0.8
105.07042	28.6
107.08600	7.4
111.04482	0.5
115.05510	0.8
116.72796	0.5
117.07008	3.1
119.08589	82.3
121.10141	2.9
128.55788	0.5
129.06996	1.9
131.08574	5.4
132.09360	0.8
133.10141	68.9
134.10446	0.7
135.11687	1.1
145.10133	5.4
146.10938	1.0
147.04453	0.6
147.08125	0.5
147.11693	12.1
157.10144	1.6
160.12471	3.4
173.13316	2.2
175.04012	0.4
175.11392	5.1
175.14833	100.0
176.15192	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03945	1.4
55.05515	7.7
56.96568	2.1
57.07073	0.8
60.30900	0.5
67.05505	2.8
69.03440	0.9
69.07074	18.8
69.51835	3.6
70.06570	0.9
79.05515	3.5
81.07056	9.1
83.08611	4.5
91.05487	10.8
93.07060	4.9
95.04986	1.1
95.08613	7.9
97.02899	1.1
98.98477	9.1
105.07038	29.0
107.08603	6.3
115.05455	0.7
117.07012	2.5
119.08589	80.2
120.09427	0.7
121.10162	3.3
129.05614	0.6
129.07010	1.7
131.08572	5.5
133.10138	83.0
134.04918	0.9
134.10381	0.7
142.07864	0.6
143.05435	3.6
143.55638	0.6
145.10143	5.3
146.10970	1.3
147.04419	0.8
147.08066	0.8
147.11693	10.9
151.93835	0.6
152.05901	0.9
157.10149	1.5
160.12495	3.4
173.13263	1.6
175.06110	0.9
175.07553	1.4
175.11356	6.6
175.14832	100.0
175.18871	3.0
176.15163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03940	2.0
55.01877	1.9
55.05274	1.0
55.05514	13.2
56.96302	1.8
56.96567	24.9
57.03420	1.6
60.05637	1.4
67.05514	7.0
68.52450	0.9
69.03424	3.9
69.07072	21.3
70.06573	2.8
71.52901	1.3
72.11409	0.9
79.05489	6.2
81.03412	4.3
81.07061	18.2
83.04971	1.3
83.08617	9.1
85.02897	2.5
91.05486	24.2
92.90054	1.2
93.07062	7.5
94.01803	7.6
95.04983	5.1
95.08610	11.1
97.02888	4.8
98.03693	1.3
98.98466	23.0
103.02331	9.6
103.05431	1.7
105.03359	1.6
105.07034	42.4
107.04931	3.7
107.08609	8.7
109.06545	1.1
111.04450	1.8
113.02570	2.9
114.53100	1.4
115.04029	2.2
115.05463	1.5
116.77683	0.9
117.07040	4.8
119.08585	87.0
121.10149	3.2
122.03065	2.6
125.02382	1.4
125.04350	2.0
127.03915	1.7
128.04907	1.4
128.06198	1.5
129.07010	12.4
131.08557	10.5
133.06496	4.4
133.10135	69.4
134.04900	19.1
134.55000	1.0
139.00632	1.7
142.07765	3.4
143.05431	58.6
143.55602	3.9
145.10121	5.4
145.55688	5.1
146.10907	1.2
147.04417	1.2
147.06911	0.9
147.08049	3.2
147.11691	19.0
151.93813	3.1
152.05960	14.6
154.56209	8.0
157.01788	5.0
157.04280	1.1
157.06464	1.0
157.10103	10.6
160.08685	1.0
160.12477	3.0
163.56720	2.8
175.02773	2.1
175.07533	6.2
175.11198	31.7
175.14819	100.0
176.07083	1.2
176.15245	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95611	1.0
70.00486	5.4
70.00872	2.2
72.87657	1.1
77.15804	1.1
87.04480	3.0
98.06081	3.1
114.09155	1.6
122.49607	1.2
122.93975	1.1
126.05481	1.2
132.02127	100.0
134.43887	1.1
144.13957	1.4
150.03105	1.2
176.01106	27.9
176.12660	1.5
188.40703	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0912
Annotation	5,6,7,8-Tetrahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
53.03947	1.2
55.01874	1.4
55.05516	2.0
56.96567	1.7
57.03442	0.8
59.05001	0.7
61.02899	0.7
65.03965	1.2
66.46358	0.5
67.05508	2.5
67.45280	0.5
67.94309	0.5
69.03427	1.9
69.07068	1.8
71.04986	0.9
71.51318	0.7
75.52744	0.6
78.04710	0.7
79.05507	5.3
81.03406	0.9
81.07065	4.0
83.05006	1.0
89.03922	13.4
89.85632	0.5
91.05486	28.3
93.07047	9.7
94.90003	0.7
95.01356	0.8
95.04967	2.1
95.08611	3.0
98.97590	7.4
98.98476	7.0
101.00863	0.5
103.05474	3.3
103.58866	0.5
105.07036	100.0
106.04208	1.1
106.07371	1.3
107.04961	1.5
107.08607	8.5
109.06540	1.5
109.10168	0.8
111.04455	0.8
115.05473	1.6
115.96407	0.9
116.06249	3.9
116.97250	1.1
116.98634	6.7
116.99382	0.9
117.03394	24.0
117.07016	7.0
117.22777	0.6
118.96785	1.1
119.04939	0.8
119.08587	6.3
121.02879	0.7
121.06528	3.9
121.10128	4.9
124.05244	0.5
129.07016	6.2
130.07768	1.1
131.08575	95.9
133.06454	0.8
133.10139	32.6
134.03668	3.4
134.09634	0.9
134.99692	3.5
135.04446	3.4
135.08090	2.0
135.11682	4.4
135.92603	1.2
142.07732	0.6
144.09357	5.5
145.02850	35.7
147.11685	2.2
149.02322	4.5
149.05981	10.4
149.09639	7.7
149.13283	3.7
153.93689	2.8
157.10069	0.7
159.04442	0.9
159.08067	2.7
159.11703	23.5
159.13046	1.2
162.03096	1.6
163.03897	2.0
163.47791	0.5
171.94720	0.6
177.05475	20.5
177.09082	11.6
177.10457	0.7
177.12758	13.6
177.16388	1.5
178.12285	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	177.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
55.01865	1.7
55.05500	4.0
55.18755	1.0
57.03441	7.4
57.07079	100.0
57.09365	1.0
59.04972	1.0
67.05488	1.8
69.03446	4.3
69.07049	3.7
69.31290	8.3
79.05496	6.0
81.07053	5.9
82.01453	0.8
83.04946	2.1
83.08631	1.2
85.06545	52.0
89.03921	10.3
91.05482	13.5
93.07040	17.6
95.01287	1.0
95.04987	1.5
95.08595	3.9
98.20754	2.0
98.97604	2.6
98.98466	7.8
103.05550	1.9
103.07584	8.3
105.07040	21.7
107.04949	2.2
107.08596	25.5
109.06522	1.6
112.84942	0.9
115.05437	3.0
116.06231	1.2
116.98605	1.3
117.03381	17.7
117.07021	14.2
119.08582	18.7
121.02898	1.6
121.06482	5.9
121.10125	11.8
129.07008	8.3
130.07729	2.1
131.04924	1.3
131.08571	25.5
133.06479	2.4
133.10126	14.6
134.03622	2.7
134.99628	1.4
135.04393	3.6
135.08086	4.0
135.11693	26.7
140.56078	1.1
144.09355	18.5
145.02846	25.2
148.80287	1.0
149.02347	4.2
149.05994	10.6
149.09627	5.2
149.13260	11.5
157.10091	2.5
159.08115	1.9
159.10207	14.6
159.11700	71.8
162.03235	1.1
163.03938	1.7
177.05461	16.7
177.06845	1.4
177.09058	4.7
177.12756	35.3
177.16296	2.5
188.65627	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.2
55.01884	1.0
55.05523	2.1
56.96580	0.8
57.03447	1.6
57.07082	8.8
57.07306	0.8
62.41834	0.8
65.03961	1.5
67.05518	4.6
69.03446	2.7
69.07078	3.8
70.75169	1.2
70.75519	1.1
76.97298	0.7
77.03941	1.0
78.04698	0.9
79.01199	0.8
79.05490	6.1
81.03445	1.3
81.07073	5.4
83.04998	2.7
83.08640	0.8
85.02928	0.7
85.06543	5.4
88.02254	0.9
89.03926	16.6
91.05487	18.7
91.06021	1.1
93.07060	13.6
95.04997	2.0
95.08617	6.1
96.04573	0.9
97.06534	0.8
98.97559	4.5
98.98480	8.5
103.05460	3.5
103.07604	1.2
105.07040	45.9
106.04179	2.5
106.07364	0.8
107.04968	2.4
107.08602	22.1
109.06535	2.1
109.10180	1.0
115.05479	2.7
116.06260	2.0
116.98636	2.9
117.03390	34.2
117.07024	18.8
119.08586	20.4
121.06505	5.1
121.10159	10.1
123.08096	1.0
128.06258	1.3
129.07011	12.6
130.07785	5.8
131.04930	2.0
131.08577	42.3
133.10144	15.7
134.03644	4.8
134.99692	0.9
135.04428	4.4
135.08102	3.5
135.11700	22.4
142.07762	2.3
143.08600	1.4
144.09346	25.0
145.02858	50.2
147.11699	7.2
149.02370	4.3
149.05988	17.8
149.09599	2.9
149.13278	9.5
153.93697	1.2
157.10175	4.9
159.04454	0.9
159.08073	2.1
159.11702	100.0
160.12064	1.9
162.03091	1.1
163.03897	1.8
165.16838	0.7
177.05467	26.8
177.09044	5.4
177.12755	29.4
177.16306	1.8
178.12256	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03934	2.6
55.01860	3.2
55.05502	3.1
57.03433	3.2
66.80304	0.9
67.05508	24.4
69.07069	6.0
69.73460	3.8
77.03916	0.9
79.05498	31.1
81.03418	3.4
81.07061	38.6
81.07536	2.2
83.04980	2.9
83.08618	3.5
85.06532	1.6
89.03918	2.7
91.04908	1.4
91.05486	27.7
93.07049	48.0
94.28423	1.1
95.04968	8.0
95.08607	9.7
97.06532	9.4
98.21548	1.0
98.98473	4.4
99.08118	1.3
103.05446	1.5
105.07033	19.8
107.04953	3.2
107.08603	16.6
109.06544	5.3
109.10149	1.7
110.78808	0.9
111.08079	3.3
114.16739	0.8
115.05450	1.1
117.03353	5.7
117.07028	21.4
119.08612	5.9
121.06556	2.0
121.10141	9.0
129.07063	1.6
131.07596	1.7
131.08572	27.0
133.10141	30.7
135.08064	5.2
135.11693	9.3
144.09349	1.9
145.02843	8.7
149.02296	1.9
149.06006	2.1
149.09641	3.0
149.13269	19.6
153.20898	1.0
157.10097	1.2
159.11699	46.6
177.05453	5.0
177.09256	2.4
177.12755	100.0
178.13066	1.7
193.76216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
51.52867	0.7
53.03944	2.5
53.24935	0.6
55.01871	4.6
55.05515	4.0
56.42167	0.6
57.03423	2.2
57.07074	0.8
65.03935	1.2
67.05511	20.9
69.03416	0.8
69.07068	6.8
69.31152	5.3
71.04979	1.5
79.05496	28.2
81.03425	4.5
81.07060	33.0
83.04992	3.6
83.08635	3.6
85.06525	2.0
89.03931	4.1
91.04913	1.2
91.05489	29.6
93.07050	48.6
95.04984	7.6
95.08614	9.3
97.06525	7.7
98.20810	1.7
98.98486	5.1
99.08077	1.4
103.05448	1.0
105.04469	0.9
105.07039	17.9
107.04963	3.0
107.08601	20.4
109.06539	4.8
111.08084	2.7
115.05427	0.9
117.03396	7.4
117.06236	1.4
117.07028	22.2
119.08559	6.5
119.35729	0.8
121.06467	3.6
121.10158	11.0
123.08033	1.4
129.06978	2.1
130.07799	1.3
131.04929	0.9
131.08578	25.7
131.09543	1.7
133.10141	35.8
135.04332	0.8
135.08061	8.2
135.11722	9.6
144.09319	2.0
145.02859	10.3
149.02338	3.0
149.05975	3.5
149.09625	3.8
149.13260	18.6
157.10086	1.1
159.11699	46.3
177.05470	6.2
177.09267	2.1
177.12758	100.0
177.16243	2.5
178.13104	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	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03938	2.1
55.01861	3.6
55.05517	5.8
57.03424	3.3
57.07069	1.1
60.30943	1.0
64.06039	0.9
65.03931	2.3
67.05506	19.6
69.03419	1.9
69.07071	9.0
79.05499	30.0
81.03400	4.1
81.07059	35.6
83.05002	4.9
83.08620	2.1
85.06566	1.7
89.03909	6.6
89.55580	1.1
91.05484	30.9
93.07050	47.1
95.04973	9.7
95.08623	9.4
95.28297	1.0
97.06537	7.8
98.20783	2.2
98.98469	7.6
99.08093	1.2
103.05493	1.4
105.04556	0.9
105.07040	16.5
106.98347	1.1
107.04943	5.6
107.08606	19.2
109.06514	5.3
109.10213	1.3
111.08041	2.2
113.47910	1.0
115.05475	2.0
117.03387	11.0
117.07018	22.8
119.08556	6.6
121.06512	4.4
121.10167	11.3
123.08062	1.4
129.07007	2.8
130.07790	1.4
131.08569	27.6
133.10141	33.1
134.03619	1.5
135.08072	8.4
135.11699	11.5
144.09349	2.4
145.02850	17.6
147.11719	1.3
149.02335	2.7
149.05945	5.7
149.09608	4.0
149.13278	19.6
157.10150	1.6
159.08093	1.3
159.11703	47.9
177.05452	9.9
177.09346	2.3
177.12753	100.0
177.16164	2.1
185.21088	1.1
186.05537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
53.04185	0.7
55.05504	2.4
57.03433	1.4
57.07082	18.2
67.05497	3.0
69.03429	3.9
69.07066	2.8
69.45155	5.6
77.00608	1.0
79.05507	4.5
79.83360	0.7
81.03412	0.8
81.07068	4.1
83.04994	1.0
83.08590	1.0
85.06542	10.0
89.03915	5.4
91.04922	0.7
91.05489	14.6
93.07048	16.9
93.11179	0.8
95.04956	1.5
95.08608	2.5
98.98466	3.1
103.05517	0.9
103.07590	1.4
105.07043	24.8
107.04947	1.5
107.08604	30.8
109.06551	1.6
110.39278	0.8
115.05457	2.5
116.06213	0.8
117.03389	7.5
117.07030	16.4
119.08590	24.0
120.09360	1.2
121.06502	4.5
121.10155	14.9
128.06239	1.1
129.07024	12.2
130.07816	3.7
131.08577	29.7
133.10144	21.8
134.03618	1.5
135.04439	0.8
135.08060	2.4
135.11699	46.9
137.09622	1.5
142.07768	2.0
143.08531	0.9
144.09348	26.2
144.10406	1.6
145.02864	12.7
149.02353	2.4
149.06027	4.5
149.09637	2.1
149.13278	13.3
149.93524	0.9
151.16846	1.1
151.37755	0.8
157.10152	3.0
159.11703	100.0
160.12044	1.2
177.04153	1.2
177.05434	5.7
177.09196	2.5
177.12767	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11400	1.0
53.03946	1.6
55.05489	1.8
57.07066	4.2
67.05515	4.4
67.37059	1.2
69.03430	4.6
69.07069	4.8
69.91440	3.4
78.04697	1.3
79.05504	5.4
81.07064	4.5
83.05001	1.7
83.08637	1.4
85.06542	1.7
88.02222	0.9
89.03923	24.9
91.05482	14.3
93.07041	13.3
95.04973	2.1
95.08600	3.6
96.55149	0.8
98.20813	0.9
98.97568	1.6
98.98479	6.5
103.05462	3.7
103.93789	1.0
105.07034	26.6
106.04157	2.2
107.04937	1.6
107.08606	23.6
109.06522	1.4
115.05456	1.7
116.06209	1.7
117.03385	45.1
117.07028	14.4
119.04941	0.9
119.08575	19.1
120.09361	1.2
121.06489	4.6
121.10148	13.3
123.08055	1.5
128.06171	1.4
129.07007	10.4
130.06522	1.0
130.07780	4.7
131.04880	0.9
131.07025	1.0
131.08569	34.6
133.10132	20.1
134.03659	6.0
135.04439	3.9
135.08075	8.4
135.11699	35.7
136.34666	1.1
137.09528	1.0
142.07819	1.4
143.08578	1.0
144.09341	23.8
145.02850	65.6
146.03268	1.0
149.02344	4.0
149.05992	17.4
149.09581	2.2
149.13248	11.7
153.93684	1.4
157.10144	5.0
159.08133	2.1
159.11699	100.0
160.11998	1.1
161.09593	1.4
162.03023	1.2
162.06805	1.1
163.03902	2.7
177.03905	1.3
177.04320	0.7
177.05473	32.1
177.09033	6.1
177.12764	35.4
177.16348	2.8
186.05507	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1275
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03946	2.0
55.01864	0.9
55.05494	1.5
57.07072	3.3
57.22424	0.6
67.05495	2.5
69.03425	2.8
69.07067	2.1
71.05927	1.5
71.06265	0.9
78.04686	0.9
79.05093	0.7
79.05492	4.3
81.03422	0.8
81.07038	3.7
83.04971	1.6
86.51068	0.7
89.03923	22.1
91.05483	13.8
93.07044	11.8
95.04973	1.1
95.08604	2.9
98.03651	0.6
98.97585	2.5
98.98479	4.1
103.05473	2.9
105.07037	26.1
106.04171	2.3
107.04955	1.1
107.08591	24.4
109.06547	1.4
115.05460	2.6
116.06223	1.1
116.98654	1.2
117.03384	40.7
117.07021	14.4
119.08580	23.2
120.09362	1.4
121.06480	3.8
121.08470	0.8
121.09321	1.4
121.10149	10.7
128.06194	0.9
129.06995	11.5
130.07817	4.1
131.04942	0.9
131.06966	1.4
131.08575	31.0
133.06622	0.6
133.09134	0.9
133.10141	21.3
134.03619	4.5
135.04457	3.9
135.08072	9.3
135.11691	36.4
138.64162	0.8
142.07776	1.6
143.08615	1.6
144.09343	26.2
145.02852	55.1
146.03188	0.9
147.11667	2.6
149.02365	1.9
149.05980	15.8
149.09657	1.8
149.13261	11.7
157.10138	4.5
159.04378	0.7
159.11694	100.0
160.12035	1.9
162.03120	1.3
163.03868	3.1
177.05476	31.1
177.08937	3.1
177.12755	33.4
186.05565	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1276
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
53.03933	0.9
55.05507	1.6
55.10800	0.6
57.03416	2.5
57.07079	24.3
57.11392	0.7
61.02918	0.6
67.05518	3.5
69.03412	2.4
69.07062	2.8
69.35411	4.8
71.04989	0.8
79.05498	4.6
79.64242	0.6
81.07053	4.0
83.04989	1.0
85.06551	17.2
89.03906	3.9
91.05485	13.4
93.06487	1.1
93.07047	16.6
95.04964	2.0
95.08593	2.5
98.97583	1.1
98.98457	3.3
100.02534	1.0
103.05448	1.0
103.07571	2.1
105.07037	26.8
107.08601	27.1
109.06564	1.4
115.05449	1.6
116.06183	1.0
117.03383	7.7
117.07020	15.7
119.01836	0.8
119.08582	22.6
120.22205	0.7
121.06492	2.6
121.10146	10.2
123.08071	0.7
128.06268	0.9
129.07021	11.8
130.07805	4.5
131.08575	29.1
133.06548	1.1
133.10130	19.1
134.03600	0.8
135.04391	0.9
135.08066	2.0
135.11700	38.9
137.09627	0.8
142.07797	1.2
143.08578	0.8
144.09354	23.4
145.02850	10.5
147.09207	0.9
149.02380	2.1
149.06013	2.8
149.09651	2.5
149.13269	14.0
154.31070	0.8
157.10143	3.8
157.17543	0.8
159.11697	100.0
160.12024	1.8
163.03888	0.7
177.05498	5.3
177.09143	2.5
177.12758	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03943	1.7
55.05275	0.9
55.05517	11.3
57.03442	1.1
57.07081	1.5
67.05511	9.6
69.03430	1.5
69.07072	34.0
70.91885	2.6
73.90144	1.0
79.05497	18.6
81.03397	1.2
81.07067	20.1
83.08629	14.7
85.79073	1.0
89.03920	12.2
91.05474	10.9
93.07043	39.2
95.04947	2.3
95.08614	53.3
97.10164	2.5
98.98465	11.3
99.04515	1.3
99.08063	1.2
103.05438	2.9
105.07026	9.0
106.04202	1.5
107.08600	64.0
109.10165	16.8
117.03373	21.2
117.07018	3.0
119.08567	4.6
121.02898	1.4
121.06501	3.1
121.10149	100.0
131.04935	1.6
131.08574	5.8
133.10121	2.8
134.03554	2.3
135.04402	3.2
135.08025	1.9
135.11702	20.0
144.09261	1.1
145.02849	29.0
149.02330	5.7
149.05984	8.7
149.09599	2.7
149.13275	8.5
153.93669	1.7
159.08072	2.5
159.11714	7.2
163.03867	1.4
177.04057	1.7
177.05467	19.6
177.09076	4.8
177.10390	2.1
177.12823	16.2
177.14781	5.8
177.16383	95.6
186.05463	1.5
190.03879	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1228
Annotation	mephedrone
Peak:m/z	Relative Intensity
56.96578	1.7
57.03427	0.3
57.13166	0.3
59.93115	0.3
64.56419	0.3
67.93234	0.3
68.87183	0.3
69.03452	0.7
71.42165	0.5
73.02920	0.5
77.94161	0.4
80.24289	0.3
81.03424	0.4
85.02913	0.8
88.02226	1.0
91.05498	2.5
93.07082	0.5
97.02905	0.6
98.97581	0.9
103.34216	0.3
105.07028	0.8
109.73186	0.4
110.97531	0.4
117.07018	1.0
118.03708	0.4
118.06556	5.2
118.07387	0.5
118.96770	2.5
119.04962	0.7
119.07331	6.5
128.98628	0.7
132.08086	0.5
133.99118	0.8
134.09660	45.8
135.09984	0.5
136.95316	0.4
137.06000	2.4
146.03189	0.4
151.07561	0.4
154.96486	0.8
160.03935	0.4
160.11215	0.9
161.01184	0.3
162.09138	1.6
163.09933	1.2
177.98050	1.6
178.05006	2.8
178.12279	100.0
179.00175	0.7
179.12560	1.0
197.01137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47219	0.7
55.01868	1.5
56.96550	1.4
57.03434	1.7
58.29018	0.6
59.07365	1.1
61.02936	1.0
66.49544	0.7
67.05492	2.0
69.03421	1.8
69.24291	6.4
70.06589	3.0
71.05004	1.0
73.02937	1.8
74.32022	0.7
79.05495	1.7
81.03434	1.2
82.01462	3.4
82.99841	3.1
84.04504	1.1
84.08150	4.8
85.02905	2.3
92.07874	1.7
93.02121	0.7
97.02911	1.9
98.21482	1.2
98.97596	2.3
100.02492	6.6
101.00890	42.1
105.06962	1.0
110.02180	0.8
113.00893	0.7
113.03458	0.8
115.00624	2.9
115.02440	5.4
116.98657	0.7
117.00259	1.8
117.01954	1.1
117.76926	0.7
118.01059	1.1
118.03545	2.3
119.01929	100.0
120.02052	2.4
123.04544	0.8
126.00811	1.1
129.04027	1.2
131.01910	3.3
133.01660	6.0
133.02533	1.2
133.03462	12.9
133.06525	1.4
137.02962	20.0
139.02379	1.0
140.74211	0.8
142.03503	1.3
143.01901	3.7
145.03566	0.9
147.04399	1.7
147.61316	0.8
148.55151	0.7
151.02742	0.8
151.04497	1.3
152.07062	1.5
155.01941	1.4
156.02097	1.5
156.03156	3.4
156.05054	8.3
157.03458	1.8
161.02968	37.4
173.03014	1.6
174.03156	1.8
174.06079	1.2
179.02293	1.6
179.04027	39.3
179.99008	0.8
180.05112	1.2
185.03072	0.9
191.66631	0.7
197.03049	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
50.26764	1.0
51.40987	1.3
53.03944	4.0
55.01857	3.8
55.05511	12.5
57.03443	5.7
57.07082	7.3
59.04992	2.7
65.03928	1.9
67.05183	2.0
67.05507	26.0
69.03432	5.6
69.07076	18.2
69.98388	1.8
69.98741	4.6
71.04988	3.4
71.08620	4.1
73.02903	1.2
77.03901	1.4
79.05495	10.6
81.07062	20.8
81.66074	1.1
83.04985	32.2
83.08602	6.2
85.02887	1.6
85.06533	4.2
91.05486	13.2
93.07046	17.6
95.04971	19.8
95.08611	78.9
97.10152	3.0
98.21465	1.3
105.03398	16.0
105.07034	19.6
106.31574	1.2
107.08593	29.7
109.06523	15.4
109.10159	35.6
111.08130	2.6
117.07024	2.6
119.04944	3.3
119.08591	27.4
121.06478	2.7
121.10148	24.6
123.04420	4.9
123.08072	40.0
123.11723	5.5
124.08858	1.4
133.02859	2.3
133.06496	3.3
133.10147	17.9
135.08049	2.2
135.11700	21.7
136.08807	1.2
137.05978	4.4
137.09624	13.5
137.13275	6.4
147.04427	7.1
151.07530	2.1
151.11145	2.2
151.14830	31.8
151.16049	1.6
161.05972	3.1
161.09607	5.2
161.13264	24.5
162.09154	1.7
179.03416	15.6
179.06932	8.3
179.10747	9.1
179.14308	100.0
180.14786	1.3
182.76442	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1432
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03941	3.0
55.01864	3.7
55.05518	8.3
56.96552	5.3
57.03429	4.5
57.07079	14.3
59.04980	3.7
62.84447	1.2
65.03934	2.4
67.05510	32.0
68.20489	1.2
68.85062	1.2
69.03415	5.4
69.07069	11.1
69.54818	7.9
71.04974	3.5
73.02917	2.0
77.03918	1.5
79.05076	2.2
79.05499	33.7
81.03416	2.5
81.07059	60.6
83.04993	7.9
83.08595	3.1
85.06512	1.7
89.03905	1.6
91.05488	42.1
93.07050	51.0
95.04964	14.2
95.08616	64.1
97.06528	5.9
97.99199	2.2
103.05396	1.5
105.07034	52.1
107.04906	2.0
107.07880	2.7
107.08599	52.0
109.06518	10.4
109.10163	14.8
111.08112	1.9
117.07010	3.9
119.04969	7.6
119.08586	45.7
120.09271	1.2
121.06516	4.7
121.10158	19.4
121.64492	1.1
123.04439	6.8
123.08087	11.3
123.11706	4.4
124.42313	1.3
131.08553	2.1
133.02850	2.9
133.06490	3.8
133.10136	77.8
135.04364	1.5
135.08110	1.3
135.11703	42.4
137.06035	2.9
137.09605	8.8
137.13284	11.5
143.08566	2.8
147.04402	8.5
147.55280	1.4
151.03914	3.0
151.11203	4.5
151.14859	1.3
160.05827	1.2
161.05940	4.2
161.09621	21.7
161.13261	61.2
162.09123	3.1
179.03397	18.6
179.04814	2.1
179.06535	6.8
179.10689	89.8
179.14313	100.0
180.10231	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03935	3.8
55.01870	3.6
55.05520	18.5
56.96548	3.4
57.03420	2.5
57.07082	2.5
59.04991	3.5
67.05511	95.6
69.03416	7.4
69.07094	11.6
71.04978	6.5
71.52657	2.7
71.61080	2.2
79.05505	25.8
81.03420	5.3
81.07063	73.4
83.04971	6.2
83.08608	4.6
91.05493	21.0
92.21085	2.5
93.07050	31.2
95.04955	19.1
95.08616	100.0
97.06474	3.0
98.98463	3.3
105.07043	23.8
107.08576	14.8
109.06521	10.6
109.10165	53.0
119.04945	5.1
119.08592	24.2
121.10148	7.5
123.04431	3.9
123.08068	17.3
133.06439	2.5
133.10152	18.7
135.11676	9.8
137.09607	16.4
137.13208	3.2
147.04372	7.5
151.11240	4.6
151.14845	11.7
158.69608	2.0
161.06017	5.4
161.09665	6.3
161.13297	11.3
164.04016	4.7
168.25871	2.3
179.03436	16.8
179.06410	28.5
179.08566	3.9
179.10681	9.5
179.14316	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03934	3.2
55.01866	4.4
55.05509	20.0
56.96568	2.6
57.03424	6.2
57.07074	2.7
65.03928	2.9
67.05507	87.6
69.03419	7.1
69.07076	14.0
71.04990	7.6
71.54045	3.1
79.05489	22.5
81.03425	4.6
81.07057	61.4
81.07535	3.5
83.04991	2.2
83.08619	3.8
85.06506	2.6
91.05479	18.6
93.07043	26.1
95.04985	17.9
95.08608	100.0
97.06519	2.8
98.98434	2.3
105.07046	18.3
107.08580	13.7
109.06530	8.5
109.10163	49.6
109.72747	1.7
111.06236	1.8
116.52341	1.6
118.15525	1.6
118.16399	1.5
119.04918	2.2
119.08578	24.8
121.10134	6.5
123.04442	2.3
123.08081	13.6
123.11606	2.0
133.02846	2.8
133.06476	3.3
133.10118	11.6
135.11685	4.7
136.02164	2.3
137.06018	2.0
137.09624	15.0
144.95966	1.9
147.04419	5.4
151.03909	2.3
151.11224	3.8
151.14810	10.4
161.05960	4.3
161.09647	5.0
161.13326	14.4
162.09117	2.3
163.03914	2.2
164.04016	6.7
179.03416	10.9
179.06419	22.6
179.08257	3.3
179.08516	4.4
179.10669	7.5
179.14316	48.6
180.10196	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
52.03580	0.8
53.03947	4.4
55.01874	6.8
55.05241	1.2
55.05511	24.7
57.03437	3.0
57.07061	2.1
59.04985	1.6
65.03934	2.6
67.05506	100.0
69.07068	17.5
69.54052	5.2
71.04980	2.6
73.06586	1.1
75.33212	0.7
77.03928	1.1
79.05495	66.5
81.03421	20.2
81.07056	92.3
83.04983	33.5
83.08624	16.2
85.06521	2.9
91.05482	51.6
93.07045	41.2
95.04971	11.0
95.08607	75.0
97.06532	33.9
97.10146	3.2
98.21716	0.8
99.08111	3.8
105.04523	1.9
105.07031	27.2
107.08590	11.3
109.06518	7.0
109.10152	12.6
111.08071	8.4
113.09641	10.7
117.07027	1.7
119.08585	34.4
121.10162	6.0
123.08084	5.6
131.08574	1.0
133.10135	24.6
135.11687	8.6
137.09598	1.4
159.11674	1.9
161.05975	1.1
161.13260	23.1
161.14616	1.2
179.03412	2.2
179.06355	3.9
179.10770	2.3
179.14317	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
51.02380	0.7
53.03947	5.2
55.01870	7.9
55.05515	28.6
57.03445	2.7
57.07073	1.4
59.05011	1.4
65.03933	3.5
67.05508	100.0
68.05022	0.7
68.05820	0.7
69.03446	1.0
69.07073	14.5
71.05002	2.5
71.24660	0.6
77.03927	0.8
79.05496	65.5
81.03422	21.5
81.07059	92.8
82.07404	0.6
83.04584	0.5
83.04985	35.2
83.08623	17.3
85.06539	3.7
91.05486	53.2
93.07048	42.6
95.04983	9.7
95.08611	76.8
97.06533	35.8
97.10159	3.8
98.21478	1.0
99.08072	3.1
103.05511	1.0
105.04546	0.9
105.07037	29.7
107.08598	12.3
109.06522	8.0
109.10165	13.9
111.08088	9.4
113.09653	8.4
117.07037	1.8
119.08585	37.4
121.10159	6.8
123.08078	3.8
123.11720	1.0
131.08545	1.1
133.10138	24.5
135.11691	8.3
137.08200	0.6
137.09639	1.9
151.11253	0.7
159.11694	0.8
161.13258	22.4
164.04123	0.7
179.03371	1.5
179.06355	4.9
179.14317	81.2
179.51469	0.6
180.14661	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
52.54096	0.2
53.03946	1.0
55.01859	0.6
55.05515	0.7
56.96564	3.3
57.07077	0.8
63.02400	0.2
65.03941	2.9
67.05502	1.8
69.03432	0.7
69.07063	0.7
69.29852	2.6
71.04972	0.4
71.95262	1.0
73.71988	0.3
79.05492	4.9
80.51911	0.3
81.03404	0.4
81.07053	1.3
82.04201	1.3
83.04960	2.2
83.08622	0.3
85.02912	1.3
89.03917	11.9
91.05484	2.1
93.03412	1.2
93.07035	2.0
95.01317	0.3
95.04958	1.6
95.08603	1.2
97.06527	1.6
98.02460	0.3
98.97583	44.5
105.07041	0.7
107.04956	5.1
107.08593	2.4
108.02080	0.3
110.03654	1.2
110.98885	0.3
111.04459	3.0
116.98621	23.2
117.03383	18.1
117.07076	0.3
119.04928	0.3
119.08568	0.5
121.10149	3.1
123.08060	5.1
125.06031	3.1
134.99660	8.8
135.04411	32.0
135.08026	0.6
135.11696	1.1
136.04778	0.4
137.09676	0.5
138.03104	1.0
139.03912	2.4
140.00189	2.5
142.02599	0.4
145.02849	19.9
145.03880	0.9
145.10124	1.1
153.00731	0.6
153.05446	0.6
158.01259	1.8
158.06146	0.3
163.03897	100.0
163.11156	2.9
164.04276	1.1
170.02034	0.5
170.75598	0.4
171.06523	0.6
181.04953	11.4
181.06381	0.5
181.08569	1.0
181.10368	0.6
181.12160	2.2
186.05476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03951	0.6
55.01881	1.0
55.05519	0.4
56.96298	0.4
56.96567	4.9
57.07066	0.7
65.03945	1.1
67.05500	0.5
68.73424	0.3
69.03431	0.6
69.07095	0.4
70.41748	1.0
71.95264	1.1
79.05493	4.4
81.03421	0.7
81.07059	0.8
83.04984	1.4
85.02923	0.6
89.03917	12.0
91.05482	2.7
93.03415	0.7
93.07038	2.0
95.04964	1.4
95.08614	0.5
97.06515	1.4
98.97588	56.5
103.05470	0.4
105.07058	0.7
107.04955	5.3
107.08627	1.9
109.02896	0.3
109.06538	0.4
111.04456	1.1
116.98624	33.5
117.03382	16.9
117.07037	0.7
119.04928	0.6
119.08618	0.3
121.02879	0.4
121.06526	2.3
121.10137	1.9
125.05993	2.4
134.99667	12.0
135.04419	30.8
135.08067	2.8
135.11671	0.7
136.07538	0.6
136.62589	0.3
139.03946	1.4
140.00185	2.2
144.95142	0.3
145.02853	20.0
145.10135	0.8
148.52544	0.4
153.00688	0.9
153.05525	0.4
158.01222	2.4
163.03905	100.0
163.11111	2.4
164.04280	0.8
181.04993	4.3
181.06467	0.3
181.08572	2.2
181.12163	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03944	1.0
55.01871	0.6
55.05505	0.5
56.96569	5.1
57.03455	0.5
62.16416	0.3
65.03947	3.6
67.05509	2.2
69.03426	0.8
69.52807	1.3
69.53216	1.0
71.95266	1.5
78.42979	0.3
79.05495	4.0
81.03423	1.1
81.07068	1.2
82.04202	0.8
83.04971	0.9
85.02909	1.7
89.03920	12.8
91.05491	2.7
93.03394	0.8
93.07073	2.3
95.04980	1.9
95.08652	0.5
97.02941	0.5
97.06544	1.6
98.97589	72.0
103.05486	0.5
105.07053	0.7
107.04958	5.0
107.08577	1.8
108.02085	1.0
109.06525	0.6
110.03667	1.7
111.04442	1.7
111.08057	0.4
113.07941	0.4
116.97260	1.1
116.98627	42.1
117.03384	14.5
117.07005	0.7
119.04957	0.9
121.06522	1.9
121.10130	2.2
121.65011	0.4
123.08045	0.5
125.06033	2.2
134.99666	14.6
135.00681	0.8
135.04419	27.6
135.08031	2.3
135.11691	0.8
137.02394	0.5
137.06004	1.5
138.03102	0.7
139.03886	1.4
139.07549	0.5
140.00198	3.1
142.02585	1.0
145.02856	19.8
145.03822	0.7
145.06487	0.4
145.10107	0.5
149.06056	0.5
149.07272	0.4
153.00719	1.5
153.05486	0.9
153.09021	0.5
158.01227	3.3
163.03909	100.0
163.11165	2.1
164.04291	0.9
164.07071	0.3
171.06535	1.3
176.02306	0.7
181.02609	0.6
181.04973	13.7
181.06319	0.6
181.08505	2.7
181.12199	1.6
181.13841	0.3
186.05637	0.5
195.29066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03944	1.7
55.01867	2.1
55.05502	3.5
56.96552	3.0
57.07081	28.0
59.04999	3.1
66.23190	1.3
67.05500	2.6
69.07059	4.4
69.23789	11.9
79.05490	10.1
81.03425	6.5
81.07051	4.9
83.04985	51.7
89.99205	1.2
91.05447	1.7
93.07065	7.7
95.04974	16.8
95.08640	1.4
96.73086	1.2
97.05929	1.8
97.06536	26.8
98.97596	35.3
105.07023	4.7
107.04925	2.2
107.08595	11.8
111.08092	1.5
116.98628	20.3
119.08572	3.2
121.06487	2.5
121.10126	12.9
123.08077	1.3
125.06001	87.4
134.99680	8.7
135.11668	5.9
140.00191	5.8
145.10150	9.9
147.31783	1.4
151.11522	1.2
158.01244	4.6
163.03961	1.6
163.11189	100.0
176.79283	1.2
181.12236	46.7
181.15799	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03944	2.4
55.01862	2.0
55.05503	2.4
56.96571	6.0
57.07080	31.0
58.94221	1.1
59.04995	2.7
61.42443	1.1
65.03936	1.3
67.05486	4.0
69.03385	2.0
69.07056	3.5
69.39831	2.7
69.40246	6.0
70.72317	1.1
71.95242	1.1
73.87476	1.3
79.05494	10.3
81.03423	8.3
81.07072	5.3
83.04985	58.4
85.02875	2.0
91.05465	2.7
93.07063	9.0
95.04978	19.1
95.08599	2.1
97.02814	1.2
97.05930	2.0
97.06536	36.0
98.97591	96.3
103.05529	1.5
105.07016	5.2
107.04960	3.5
107.08596	11.5
111.04388	1.6
116.97326	1.7
116.98631	39.7
116.99458	2.0
117.03384	2.1
117.07064	1.7
119.08578	3.3
121.06544	5.5
121.10129	12.1
123.08061	1.8
125.05999	96.4
130.07802	1.1
134.99632	11.9
135.04391	2.7
135.08072	2.4
135.11664	6.5
140.00180	4.2
145.02847	2.3
145.10150	9.9
148.05162	2.5
153.07210	1.2
158.01285	2.5
163.03925	10.4
163.11188	100.0
181.04956	12.6
181.08708	8.6
181.12236	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.1541
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
50.30669	0.4
53.03937	0.8
53.90712	0.4
55.01880	0.6
55.05511	5.0
56.96569	0.6
57.03430	1.1
57.07071	2.1
58.02965	24.0
65.46541	0.4
67.05508	13.2
69.07073	45.6
70.06589	1.9
70.11243	1.3
70.11658	1.0
71.08614	0.7
74.06068	1.0
75.60339	0.5
79.05502	4.5
81.07065	13.4
83.04968	1.3
83.08616	5.8
84.08149	7.4
86.06088	1.0
91.05482	4.3
93.06480	0.6
93.07044	7.0
95.04969	1.5
95.08610	4.3
97.06528	2.1
98.06040	2.1
98.09728	2.2
98.21485	0.5
98.97603	3.9
99.97911	1.5
100.07619	5.8
105.07037	10.1
106.89639	0.5
107.08598	13.6
109.06498	1.5
109.10165	36.6
112.07600	2.6
114.09178	12.1
116.98616	1.6
117.98976	0.7
119.08565	0.9
121.10141	1.2
123.11722	6.2
126.09164	11.5
126.12807	0.9
133.10139	27.0
135.11691	13.2
137.13228	0.6
138.11703	0.7
138.12787	13.7
140.10745	0.8
140.14342	1.0
147.11694	4.0
151.09981	0.6
151.11192	9.6
153.12749	9.8
154.15892	1.0
164.14297	1.5
165.12761	2.0
182.15416	100.0
183.15779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04246	2.1
51.40378	1.8
53.03939	6.7
55.01872	18.3
55.05504	2.5
57.03442	54.3
58.36614	2.2
61.02932	38.3
64.63241	2.4
67.05499	3.9
68.98309	2.9
69.03092	4.0
69.03434	54.5
70.99878	2.4
71.01351	2.9
71.04976	8.9
71.49071	3.4
72.08139	2.5
73.02922	88.1
77.00888	3.0
79.02153	4.5
81.01910	3.0
81.03053	2.2
81.03423	22.4
81.07056	3.4
82.99837	11.1
83.01320	3.3
83.04973	3.7
85.02135	3.1
85.02913	77.1
86.03703	2.5
86.99314	2.6
87.01897	9.2
87.04477	3.4
88.02676	7.7
91.03937	3.3
91.05483	6.4
92.05814	9.4
93.01884	18.9
94.02676	10.6
94.99809	2.7
95.04971	11.9
95.08633	3.4
96.02419	4.0
96.05335	3.8
96.92834	4.3
97.02898	71.8
98.98471	6.1
99.01888	5.6
99.04467	14.0
100.02666	14.6
101.00893	61.2
101.01550	3.1
101.02371	4.2
101.03461	2.9
102.00979	3.0
102.02416	26.9
102.52462	3.7
103.02473	3.3
103.03191	4.8
103.53317	3.3
105.00352	3.0
105.03411	10.7
106.02658	6.4
108.02408	15.5
109.02854	14.8
109.06517	3.1
111.02945	30.1
111.53034	3.4
113.00874	26.6
113.01598	2.8
114.02397	11.8
115.02431	9.9
115.03172	4.8
117.02918	7.6
119.01929	88.4
120.02016	5.1
120.03423	4.3
120.05280	10.3
121.28819	2.3
123.02944	23.2
123.04415	15.5
123.53036	3.0
124.02544	2.4
124.04751	10.4
127.02390	7.7
127.03906	19.2
129.02910	21.7
129.03899	5.4
130.03665	4.4
131.01904	68.2
132.01997	5.0
132.03421	12.9
133.03448	8.3
135.02887	7.2
136.03700	5.7
136.07607	2.7
137.03012	13.0
137.05946	4.4
137.07928	22.3
137.09587	3.0
138.03452	29.1
138.53537	3.2
139.02380	7.5
141.03912	4.2
142.03523	13.0
143.01915	89.6
144.01990	6.6
144.03481	14.9
144.53482	2.7
145.03462	35.2
145.04604	3.2
145.04996	2.4
146.03506	3.8
147.01393	4.6
147.03986	6.9
148.04741	5.2
149.02917	6.5
150.03204	2.5
153.03928	10.5
155.01901	74.4
156.02060	2.7
157.03468	25.3
160.04567	8.5
161.02966	78.7
162.03197	4.6
163.04439	4.7
166.05824	8.4
166.92325	2.3
167.01913	22.9
169.03502	6.1
171.05009	4.2
173.02971	100.0
174.03072	6.2
174.04462	3.1
175.04523	6.5
177.02560	2.6
178.02666	4.0
179.03992	3.6
183.04962	3.5
183.06477	2.8
183.09535	3.9
183.11449	3.0
184.04549	2.8
185.02975	62.6
186.03123	6.2
187.04524	5.9
191.04002	8.6
197.02979	9.3
199.04497	4.4
203.04005	30.6
204.04056	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	183.0654
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02395	1.2
53.03951	16.2
55.01878	4.2
55.05490	0.7
65.03943	5.3
67.05176	1.0
67.05508	10.0
69.03439	0.6
69.07064	1.4
69.73965	1.1
69.74389	2.3
71.04981	1.2
77.03922	2.9
79.05524	1.5
79.83698	0.6
81.03406	2.7
81.07063	2.9
83.05008	0.6
83.08621	0.7
91.05505	0.8
93.07043	1.2
93.14658	0.5
95.04972	96.2
95.08622	3.4
97.02887	1.3
97.06529	0.9
98.21386	0.8
98.97687	0.6
98.98456	3.0
99.04432	1.1
100.97172	0.7
101.95052	1.3
102.79330	0.6
105.03423	3.3
105.04508	7.4
107.08585	1.2
109.06516	0.7
109.10157	1.6
111.04436	1.1
118.96801	0.7
119.08602	1.7
121.10151	1.1
123.04434	100.0
123.08071	2.6
123.11727	2.5
124.04778	0.7
125.02355	3.6
125.06013	0.7
127.07513	0.7
136.07573	1.3
137.07930	10.3
137.09602	1.4
137.13260	0.7
140.04692	35.0
155.07039	31.9
155.08087	0.7
162.89746	0.6
165.07463	6.4
165.09015	1.0
165.12735	0.8
178.59189	0.5
183.06575	13.1
183.11679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00638	0.2
70.69958	0.1
70.70327	0.3
70.99382	0.1
78.41027	0.1
82.01440	0.2
82.99844	6.2
83.99876	0.1
100.02500	0.2
101.00887	54.0
101.95048	0.6
102.00967	1.2
111.00425	0.3
115.02468	0.2
119.01926	100.0
119.98734	0.1
120.02005	1.4
120.34627	0.1
121.02356	0.3
124.02459	4.8
125.02556	0.2
133.03506	0.2
137.02962	16.2
138.03008	0.2
142.03505	27.7
143.01926	1.1
143.03667	1.3
160.04567	4.2
161.02965	15.7
165.05096	0.3
177.50107	0.1
179.04013	14.4
184.04562	0.5
202.05705	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	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23309	0.5
57.03432	1.0
61.02927	0.9
68.65312	0.5
69.03421	1.1
70.34288	1.0
70.34661	1.1
73.02916	2.2
80.94978	0.7
82.99846	7.3
85.02913	1.6
97.02902	1.4
100.02494	0.6
101.00890	62.7
102.00983	1.7
111.00414	0.6
112.02779	0.5
115.02477	0.7
117.03983	0.6
119.01932	100.0
120.02068	2.2
121.97558	0.7
124.02465	4.8
131.01920	0.5
133.01659	1.2
137.02966	15.5
139.03310	0.7
139.20512	0.5
142.03513	29.2
142.94919	1.0
143.01900	4.3
143.03630	1.4
144.02069	1.1
145.01665	0.9
145.03606	0.6
156.02066	0.9
157.01648	0.7
160.04575	3.7
161.02977	19.3
161.04338	1.0
162.03075	1.1
165.96535	0.8
166.90901	0.5
174.03067	0.8
179.04022	14.2
184.04567	2.0
185.02959	0.6
186.03120	0.9
187.02763	0.7
195.00926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
60.33884	0.3
70.06586	1.0
71.52666	0.7
73.02906	1.0
81.80962	0.4
82.99846	6.3
85.02909	0.7
86.09690	0.5
97.02898	1.2
100.02496	0.5
101.00892	55.1
102.00966	1.5
103.44583	0.4
111.00407	0.5
115.02446	0.5
119.01934	100.0
120.02055	1.1
124.02451	5.9
125.02586	0.4
133.03481	0.5
137.02966	15.8
142.03513	27.5
143.01906	2.4
143.03667	0.9
145.01735	0.6
156.02061	0.6
156.03439	0.7
160.04579	3.2
161.02977	16.3
161.04358	0.8
162.03247	0.5
165.04010	0.7
165.96547	0.5
166.05077	0.6
179.04025	13.6
181.03380	0.8
184.04535	0.7
184.07373	0.5
184.09818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0723
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
52.78447	0.5
52.85478	0.5
56.05035	1.1
58.06619	1.2
60.08164	13.7
61.91361	0.5
69.94926	0.5
69.95216	2.7
71.07378	8.5
71.37005	0.6
86.09710	78.7
98.98475	10.9
101.95040	1.2
104.10740	2.3
125.00011	59.2
184.07349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0728
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
51.28511	0.5
52.99485	0.6
56.05030	0.7
60.07886	1.0
60.08166	15.2
68.17467	0.6
69.33204	1.3
69.33611	5.2
71.07378	8.2
86.09709	79.0
98.21582	1.3
98.98479	13.0
101.95051	0.8
104.10752	4.5
125.00007	61.7
141.17886	0.6
184.07350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0727
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
54.80941	0.6
56.05031	1.0
60.07895	1.1
60.08168	16.3
68.20067	0.5
70.13780	2.2
71.07383	6.9
86.09709	78.6
93.79247	0.6
98.98470	13.4
101.95060	3.1
104.10738	2.6
119.96055	1.0
125.00006	64.4
136.49481	0.6
137.64975	0.7
147.11183	0.5
173.67514	0.7
184.07347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1079
Annotation	L-Alanyl-L-proline
Peak:m/z	Relative Intensity
53.03949	0.8
55.01632	0.7
55.01873	6.3
55.05517	6.2
55.08525	0.4
56.05027	1.1
56.96561	0.8
57.03426	0.5
67.05492	2.3
69.03440	2.8
69.07066	0.6
70.06583	0.9
70.57106	0.9
70.57479	1.0
71.01342	0.5
71.04987	1.3
72.08160	3.4
79.05486	2.3
81.03422	2.5
81.07058	21.8
82.06588	0.6
83.04962	0.9
83.08624	13.6
84.04497	1.9
84.08145	1.7
85.02902	1.3
85.06551	4.3
85.94604	0.5
88.02213	4.5
91.05467	0.9
95.04994	0.9
95.08596	1.3
96.08114	1.2
98.09698	17.9
99.04470	0.7
99.08112	0.5
105.04755	0.4
105.07013	0.8
108.08129	3.8
109.02892	1.5
109.06517	4.2
110.06026	1.0
115.05405	2.4
119.08562	0.6
123.08089	0.9
124.07610	1.1
126.09159	31.7
127.03925	1.0
127.07520	0.8
128.07167	0.5
131.04948	2.8
142.08640	1.3
142.12268	1.0
143.04878	0.8
145.10153	0.6
151.07524	0.8
151.08659	7.5
159.08067	0.6
159.11739	1.0
163.97636	0.6
166.05542	0.4
169.09729	100.0
170.10136	0.8
170.11674	0.8
173.00876	0.8
176.05219	0.6
187.02457	0.8
187.03922	7.5
187.05701	0.9
187.06090	0.9
187.07619	0.7
187.10805	13.9
187.12509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51435	0.3
56.96568	0.7
81.45122	0.3
84.04523	1.5
84.08170	0.8
86.09702	0.8
88.00439	0.4
91.05501	2.5
103.05474	0.7
107.08585	0.4
111.04400	0.4
115.05453	3.6
117.05757	0.6
117.07012	3.3
118.06546	56.5
127.67303	0.4
128.07063	0.5
132.08125	0.6
142.06512	4.3
143.07314	9.4
144.04445	0.7
144.08087	22.8
145.06416	0.5
146.06013	100.0
147.06404	0.8
155.06050	0.7
160.07619	1.1
160.09843	0.3
167.19440	0.4
170.04659	0.5
170.06032	8.2
170.09961	0.4
188.07074	27.0
188.08820	0.9
207.33316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
66.35438	0.4
70.75431	0.6
70.75749	0.5
72.05303	0.3
84.04498	0.7
91.05471	2.8
103.05484	0.5
115.05463	4.6
117.05767	0.8
117.07011	3.6
118.06544	58.8
119.06891	0.6
132.08134	0.5
135.88338	0.4
142.06532	5.2
142.31546	0.4
143.07315	10.3
144.04433	0.6
144.08086	22.5
145.06499	0.6
146.06013	100.0
147.06387	0.8
155.06123	1.0
160.07552	0.9
170.06010	9.4
188.07068	27.2
189.07463	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49973	0.3
55.01878	2.7
55.05517	8.1
56.05038	0.8
57.03449	3.8
57.04548	0.3
57.05823	0.7
58.73666	0.2
59.05012	0.4
60.04526	0.4
60.08173	0.9
61.02926	0.8
64.84297	0.3
67.05518	0.6
68.99802	0.3
69.03440	1.1
69.07059	0.3
70.06602	1.7
70.99833	0.3
71.01357	1.9
71.05000	0.7
71.50189	0.3
72.08162	100.0
73.02917	2.1
74.07213	0.3
75.04478	0.3
78.27153	0.3
78.35535	0.3
79.05505	0.3
82.06611	0.3
82.67244	0.3
83.01352	0.5
83.05001	0.4
83.06844	0.3
84.04520	0.5
84.08152	6.7
84.08634	0.5
85.01416	0.4
85.02913	1.7
85.08512	0.4
85.53063	0.3
86.09713	1.2
86.33398	0.3
87.00890	0.3
87.04469	2.7
89.02421	0.4
94.93048	0.8
95.01334	0.5
97.02896	0.7
97.15775	0.2
99.04494	0.3
100.07639	0.9
101.00894	2.3
101.01408	0.2
101.02388	5.8
101.03027	0.4
102.02434	0.4
103.00667	0.4
103.02454	0.8
110.02229	0.4
111.00829	0.9
111.02991	0.5
113.00919	0.7
113.02353	0.7
115.02480	0.7
115.03935	4.2
116.07090	0.3
118.08667	13.9
119.01929	5.1
120.03400	0.4
121.01678	0.7
126.09169	1.3
127.03954	0.5
129.01823	1.4
130.08650	2.2
131.01871	1.4
133.03511	1.1
135.03206	0.3
137.02974	1.1
139.00281	0.7
143.01974	0.9
143.03508	0.5
143.08954	0.4
143.11792	4.2
144.10234	0.5
145.02438	0.5
145.03506	1.1
147.01396	0.6
147.05090	0.8
147.08434	0.3
149.02997	0.4
155.01949	0.5
156.05281	0.3
157.01344	4.9
157.03418	0.4
159.02931	0.4
161.02969	1.5
171.02789	0.5
171.05067	0.5
171.11360	0.5
174.38167	0.3
175.02432	0.5
177.02576	0.8
185.02945	0.6
189.02408	0.7
189.03925	0.7
189.06073	0.6
189.09451	0.6
189.12248	3.5
189.16074	1.0
207.03651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	H-ILE-GLY-OH
Peak:m/z	Relative Intensity
54.86477	0.3
55.01861	0.6
55.05513	0.7
56.21017	0.2
57.03433	0.8
57.07081	0.3
57.39009	0.3
58.99889	0.3
60.08149	0.7
60.19460	0.3
61.02921	0.4
67.05497	1.3
68.99797	0.6
69.03443	0.6
69.07078	1.5
69.85152	1.2
70.06595	1.0
72.08156	3.8
73.02919	1.3
79.05521	0.4
81.03407	0.4
82.99859	0.4
83.04980	0.3
84.04512	0.4
84.08147	4.1
84.90096	0.3
85.02907	0.5
85.06541	0.3
85.08479	0.5
86.09709	100.0
87.04474	0.3
87.10043	0.9
88.04029	0.4
89.52425	0.3
98.69507	0.3
98.97611	0.3
100.07462	0.3
101.00883	2.1
101.02360	0.4
102.09182	0.4
103.00635	0.4
103.02440	0.7
105.07067	0.6
107.04984	0.3
110.02185	0.5
111.02908	0.5
111.04428	0.4
113.00871	0.7
115.02418	0.4
115.03988	0.4
116.45553	0.3
117.02892	0.5
118.08631	0.4
119.01968	2.3
119.02764	0.5
125.06023	0.7
129.03978	0.5
130.08650	1.0
131.01904	0.5
133.03497	0.6
139.00322	0.3
143.01915	0.7
144.13943	0.4
145.03554	0.7
147.01395	0.7
147.05055	1.2
147.11717	0.5
149.02965	0.4
157.03455	0.4
159.01488	0.3
161.02989	1.7
161.05977	0.3
162.05508	0.3
167.01910	0.3
171.05092	1.1
173.02986	0.5
177.02510	0.4
185.03012	0.9
189.02481	0.4
189.06303	1.7
189.09155	0.5
189.12312	2.6
189.16051	0.9
203.04160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1235
Annotation	19461-38-2
Peak:m/z	Relative Intensity
51.40912	0.4
55.01889	0.7
55.05508	1.1
55.64207	0.4
56.96564	0.7
57.03426	1.0
60.08165	0.4
67.05493	0.7
68.99786	0.5
69.03427	0.8
69.07075	1.7
70.06610	0.7
71.01402	0.4
71.05017	0.5
71.42467	0.7
72.08161	4.0
73.02919	0.6
75.05608	0.6
79.05500	1.3
81.03413	0.7
81.07071	0.9
83.04977	1.6
84.08144	1.7
85.02911	1.3
85.04816	0.4
85.06556	0.6
86.09708	100.0
87.04463	0.6
87.10061	0.5
91.05484	0.9
93.07024	0.8
95.08620	0.6
96.07010	0.4
97.06515	0.8
98.97591	0.8
101.00890	0.8
101.02401	0.5
101.06055	0.5
105.07042	1.2
107.04951	0.8
109.10203	0.4
111.00825	0.8
111.04463	0.8
114.05537	1.0
114.16437	0.5
115.03959	0.5
116.98680	0.6
118.08691	0.5
119.01914	1.5
119.08562	1.1
125.05984	0.7
128.06242	0.6
129.03954	0.4
129.05479	0.6
130.05026	0.6
130.08604	0.6
130.72350	0.4
131.01976	0.4
132.10207	40.4
133.10178	0.4
139.00169	0.4
143.08598	1.1
143.11800	24.0
145.10139	1.0
147.05020	0.9
147.08134	0.4
149.02916	0.5
153.05466	0.7
153.09140	1.0
156.09322	0.6
157.06119	0.9
160.73894	0.4
161.03008	0.4
161.05942	0.8
161.09610	0.6
161.13248	0.5
171.04980	0.7
171.11584	1.2
189.02510	0.6
189.04045	0.8
189.05701	1.4
189.09138	0.9
189.12378	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01875	5.6
55.05519	4.1
64.59512	0.5
64.91624	0.5
65.03924	1.4
67.05509	10.6
69.03427	0.9
69.07077	3.7
69.69083	3.8
69.72131	0.8
71.04993	0.6
79.05073	1.0
79.05500	12.7
81.07063	7.9
83.04990	1.4
83.08616	1.3
85.06551	1.2
87.04437	0.7
90.01807	0.6
91.05489	55.4
91.54523	0.6
93.07047	9.6
95.04967	3.1
95.08611	4.0
97.06519	2.6
98.21466	1.2
103.05464	1.3
105.03387	1.0
105.07042	27.7
107.04958	3.3
107.08616	3.5
109.06514	2.2
111.07365	0.6
114.80714	0.6
115.05453	2.2
116.05367	0.6
117.07022	9.6
119.08591	13.8
121.06515	3.5
121.10120	1.4
123.08077	1.3
125.09626	1.4
128.06229	4.1
129.07024	28.2
130.07780	2.3
131.08580	4.3
133.06487	2.6
133.10143	12.1
143.07512	1.0
143.08575	15.8
145.10138	22.4
146.04106	0.7
147.08052	7.5
147.11708	9.9
149.02296	0.8
156.09325	4.0
157.54974	0.7
159.08054	1.1
159.11655	1.5
160.05203	1.3
161.05986	2.4
161.09630	2.2
161.13275	11.8
169.10115	0.8
171.11700	48.2
185.84258	0.8
189.05441	1.7
189.09181	5.6
189.12746	100.0
189.16386	2.4
190.13080	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24717	0.8
53.35577	0.8
55.05506	1.4
68.78040	0.9
69.03424	5.2
69.07060	0.9
69.70747	1.6
69.71149	4.3
76.78010	0.8
79.05482	1.6
85.02892	2.0
91.05473	5.6
93.07015	0.9
95.08630	1.0
105.07031	11.8
107.08571	2.2
115.05473	1.3
117.07020	3.5
119.08577	16.8
128.06192	1.9
129.06992	3.0
130.07845	4.3
131.08597	6.5
133.06487	2.6
133.10153	4.2
133.30048	0.9
141.06998	7.2
142.07732	1.5
143.08575	7.2
143.79503	1.0
144.09328	2.3
145.06490	1.3
145.10129	16.9
147.08080	6.3
147.11684	14.3
152.78552	1.0
155.08545	1.6
156.09351	44.5
159.08105	4.4
159.11696	15.4
161.09602	2.1
161.13275	3.5
171.11690	62.9
174.10390	8.9
189.09128	3.0
189.12744	100.0
190.13135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.05
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.59367	0.2
70.62066	0.2
70.62413	0.5
83.59308	0.2
89.03941	0.9
94.95572	0.2
103.87826	0.2
114.42891	0.2
116.04992	2.7
144.04443	4.1
162.05511	100.0
163.05853	0.8
185.07129	0.3
189.33078	0.2
190.05003	47.7
191.05310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1262
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99078	0.6
56.96567	0.7
57.07079	17.3
59.99112	2.8
66.09197	0.5
67.79148	0.4
69.94906	1.5
73.73528	0.5
75.64124	0.4
78.00158	26.6
79.05499	0.5
81.07019	0.6
86.09717	8.0
87.04471	0.8
88.02216	0.6
89.55073	0.5
91.05484	0.9
92.01686	0.6
95.08580	0.7
97.02895	0.5
98.20898	0.7
102.03370	0.4
105.07049	0.7
105.72578	0.4
112.24936	0.5
116.05294	0.8
121.02866	0.5
124.04660	0.9
134.06361	34.1
134.10454	0.7
135.08099	0.5
148.07889	2.1
149.02354	3.2
149.05397	0.7
162.05479	1.7
163.11203	0.5
167.05482	0.7
173.09601	0.5
190.04967	1.8
190.12616	100.0
191.10498	0.6
191.12932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03949	5.0
55.01860	6.6
55.05513	13.6
56.96564	4.9
57.03444	2.5
57.07056	2.0
62.49177	1.4
65.03923	2.3
67.05502	19.1
68.99818	1.4
69.03432	20.3
69.07069	11.9
70.77503	4.5
71.01351	2.3
71.04984	9.1
72.93782	2.0
79.05496	33.9
81.03405	4.3
81.07061	28.1
83.04986	9.8
83.08618	3.3
85.06550	2.6
86.98058	1.6
91.05483	37.4
93.07050	41.4
95.04974	21.0
95.08614	12.0
97.06533	14.3
101.73930	1.4
102.04668	1.8
103.05460	5.8
105.07034	59.5
107.04954	28.5
107.08600	59.5
109.02868	3.2
109.06519	28.1
109.10151	20.1
111.08075	2.5
112.99127	2.1
115.05456	6.5
116.06241	1.6
117.07014	25.5
118.04148	1.9
119.08581	19.1
121.06510	55.3
121.09316	2.8
121.10143	32.3
122.07278	2.7
123.04375	1.7
123.08070	10.5
128.06207	1.4
129.07047	8.1
130.07796	10.3
131.00117	2.6
131.04916	5.2
131.08569	43.3
133.06468	3.2
133.10135	100.0
135.04361	2.1
135.08066	36.9
135.11685	10.7
136.03519	1.7
136.08820	2.0
137.09621	22.2
143.05412	2.0
143.08571	5.5
145.04036	1.8
145.06514	7.5
145.10130	70.6
147.08051	4.6
147.11694	12.3
147.52850	1.5
149.01233	4.3
149.05962	5.4
149.09621	15.3
149.13254	16.5
153.06940	1.7
155.08588	13.4
158.07265	4.8
158.10922	6.4
161.09666	2.5
162.14215	1.8
163.03790	2.0
163.07552	4.4
163.11197	37.2
163.14827	3.8
167.02231	2.1
171.06717	4.0
173.05954	2.5
173.09625	46.1
173.13266	23.5
176.04692	2.0
180.07146	2.2
180.46823	1.6
191.03433	3.7
191.07050	11.4
191.10680	73.3
191.14307	84.7
191.16071	4.0
207.31952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1069
Annotation	Schiffnerone B
Peak:m/z	Relative Intensity
53.03943	4.1
54.54531	1.4
55.01884	9.4
55.05503	6.7
56.96554	5.8
57.03431	3.5
57.07061	1.9
58.58597	1.4
65.03943	2.4
67.05183	1.9
67.05511	30.8
69.03429	6.9
69.07068	11.5
69.20314	1.5
69.67205	8.7
70.98067	1.3
71.04981	4.9
73.02931	3.0
78.36439	1.4
79.05499	41.2
81.03420	2.8
81.07060	25.0
83.04981	6.4
83.08615	3.4
85.02888	3.5
85.06528	1.8
89.03897	1.4
91.05492	33.4
93.07053	53.3
95.04989	10.6
95.08616	10.4
97.06547	10.3
99.58743	1.7
103.03943	3.7
103.05473	4.7
105.07039	33.2
107.04967	20.6
107.08609	53.3
109.02879	1.8
109.06529	11.8
109.10182	10.3
111.04437	5.0
115.05463	4.0
116.06271	3.6
117.07028	24.5
118.06505	2.3
119.08587	27.5
121.06518	22.1
121.09328	3.0
121.10150	41.1
123.08054	4.2
123.11723	2.2
125.06026	2.2
129.07027	10.6
130.07788	6.3
131.00195	2.7
131.04955	5.3
131.08583	42.9
132.05763	1.8
133.06435	2.4
133.10153	24.6
135.04420	2.1
135.08058	16.6
135.11707	33.8
137.09610	4.2
143.08582	4.9
145.06511	9.4
145.10135	74.7
147.08066	4.3
147.11679	14.3
149.01204	4.1
149.06007	4.5
149.09619	20.6
149.13329	7.4
155.08565	7.4
158.07262	2.2
158.10901	2.5
160.05057	1.7
161.09598	1.9
163.07529	3.6
163.11192	98.9
171.06673	2.1
173.09645	37.8
173.11050	3.0
173.13197	10.5
176.04832	1.7
181.12234	3.6
191.03410	37.3
191.07016	14.2
191.10689	100.0
191.14308	32.7
191.17940	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32176	1.2
53.03942	2.0
55.05499	5.3
56.96539	1.5
57.03432	2.2
57.07060	2.6
59.04985	3.5
61.26940	1.2
67.05511	8.0
69.03425	8.7
69.07072	9.9
70.21297	1.2
71.04980	3.7
71.05340	2.8
79.05506	10.1
81.07056	13.2
83.04974	5.4
83.08627	3.9
85.06534	3.9
86.83063	1.4
91.05481	22.5
93.07046	18.8
95.04989	3.4
95.08612	13.0
97.06528	8.2
102.89112	1.2
103.05447	1.8
105.07036	53.3
105.27551	1.3
107.04977	2.5
107.08601	32.7
109.06516	5.2
109.10143	6.6
111.08102	2.6
115.05413	3.1
116.06214	1.7
117.07014	8.4
119.07806	2.2
119.08593	25.8
121.06524	7.4
121.10142	22.4
123.08068	5.6
129.06967	6.7
130.07787	3.7
131.08575	61.0
133.10138	100.0
134.99348	1.3
135.08057	15.3
135.11681	5.4
143.08574	11.9
144.09334	4.5
145.06573	1.7
145.10129	33.3
147.08032	2.7
147.11682	16.8
149.09645	13.3
149.13255	18.2
158.10934	18.4
161.09613	1.4
161.13260	4.6
163.07570	2.9
163.11201	4.3
163.14851	6.6
171.39015	1.4
173.09602	3.6
173.13274	74.4
178.88597	1.3
191.08206	3.0
191.10693	6.6
191.14316	90.4
202.55444	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05499	4.1
56.96565	1.8
57.03428	1.7
57.07077	3.1
67.05492	4.4
69.03415	4.6
69.07069	7.4
71.05003	2.6
79.05495	6.2
81.07060	9.8
83.04967	5.3
83.08598	3.3
85.06547	2.7
88.31866	1.4
91.05492	18.7
93.07047	14.2
94.88753	1.1
95.04971	3.1
95.08080	1.2
95.08599	7.8
97.06519	4.1
101.95683	1.3
103.05467	1.8
105.07036	64.4
107.08599	29.2
107.80384	1.3
109.06497	5.1
109.10141	3.9
111.08051	1.2
115.05455	2.6
116.06232	1.8
117.07040	10.2
119.08582	31.6
121.06487	2.6
121.10140	13.0
123.08080	2.9
128.06200	2.2
129.07019	9.3
130.07777	3.3
131.08575	95.7
133.10138	43.4
135.08049	10.9
135.11707	3.4
143.08574	14.9
144.09360	7.5
145.10132	35.7
146.96318	1.2
147.08064	1.2
147.11673	13.2
149.09601	5.0
149.13280	8.8
158.10904	20.9
160.05107	3.1
161.09673	1.7
161.13269	20.7
163.11118	2.0
163.14836	7.3
171.11617	2.1
173.13277	100.0
191.07098	2.1
191.10715	2.5
191.14314	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
55.01865	1.8
55.05516	7.8
56.96565	1.6
57.03428	3.1
57.07066	3.2
59.04984	2.0
61.60109	1.2
65.03927	1.8
67.05511	9.3
69.03432	10.8
69.07069	8.2
70.75887	3.3
71.04977	3.8
79.05491	12.3
81.03412	3.5
81.07072	13.0
83.04977	5.0
83.08615	3.7
85.06537	3.5
91.05486	21.2
93.07049	18.1
95.04956	5.2
95.08598	10.6
97.06539	8.6
103.05454	3.0
105.06313	2.0
105.07033	41.5
107.04958	1.9
107.08598	37.9
109.02864	10.4
109.06518	8.1
109.10160	5.8
111.08025	1.6
115.05451	3.4
116.06242	2.2
117.07029	13.1
119.08591	25.7
121.06463	7.5
121.10145	22.7
123.08085	10.6
123.11715	1.9
128.06207	1.2
129.07014	5.2
130.07755	2.3
131.04955	2.0
131.08574	57.2
133.10136	100.0
135.08058	17.1
135.11678	5.3
137.09621	1.8
143.08566	9.1
144.09309	4.6
145.06468	4.7
145.10124	32.1
147.08020	2.1
147.11682	17.7
148.08772	1.5
149.06084	1.5
149.09642	9.4
149.13249	27.0
150.10374	2.2
158.00676	1.5
158.10928	19.5
160.05064	2.5
161.13223	2.9
163.07495	4.0
163.11201	3.9
163.14854	4.8
173.13272	76.1
191.05482	1.6
191.07057	5.3
191.10678	5.1
191.14314	95.6
199.24113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27774	1.0
53.03936	1.1
53.32372	1.1
55.01862	1.1
55.05515	5.8
57.03428	1.7
57.07070	2.7
65.03933	1.3
66.04719	1.2
67.05498	4.7
69.03438	18.7
69.07078	11.4
69.42253	3.1
69.42664	4.6
71.05003	2.3
79.05511	8.6
81.03407	1.3
81.07063	8.8
83.04981	12.6
83.08604	3.0
85.06556	2.5
91.04977	1.6
91.05486	15.4
93.07054	10.6
95.04993	2.1
95.08620	10.1
96.83347	1.0
97.06537	3.3
100.67117	1.0
103.05485	11.3
105.07035	19.0
107.04944	3.3
107.08601	29.7
109.02889	1.2
109.06523	7.5
109.10139	2.9
111.08080	2.5
115.05444	1.9
116.06246	1.4
117.07027	10.4
118.04174	2.7
119.04984	1.4
119.08595	19.5
119.58511	1.0
121.06532	5.2
121.10145	17.5
123.08096	5.5
128.06224	1.3
129.07005	5.7
130.04192	1.6
130.07762	2.1
131.04938	9.2
131.08583	22.6
133.10129	20.7
135.08061	19.7
135.11693	4.1
137.09666	1.4
143.08557	10.3
144.09369	2.6
145.10150	13.3
147.08157	1.1
147.11697	9.0
148.05197	5.6
149.09648	10.9
149.13261	10.8
158.10939	9.8
160.04991	1.5
161.09625	2.1
161.13176	1.3
163.07538	9.3
163.11229	3.0
163.14803	4.7
173.09613	1.8
173.13283	33.6
176.04703	1.3
176.11943	2.1
191.07004	11.4
191.10735	5.4
191.14319	100.0
211.55275	1.0
213.28886	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01861	0.8
55.05516	2.7
55.72785	0.6
56.96553	0.6
57.03438	0.9
57.07066	0.7
59.04957	0.6
61.24802	0.5
67.05228	0.5
67.05511	5.6
69.03429	15.8
69.07069	4.6
70.07007	2.6
71.04965	0.8
79.05497	5.6
79.91884	0.5
81.03403	0.6
81.07058	10.6
83.04974	2.5
83.08621	1.8
85.06532	0.6
91.05475	6.3
93.07046	8.9
95.04964	1.6
95.08609	12.8
97.06550	3.6
98.20750	0.7
103.05500	0.6
105.07043	8.4
107.04952	2.1
107.07880	1.0
107.08599	19.9
109.06551	3.9
109.10144	2.8
111.08076	1.2
115.05447	0.9
117.07001	1.8
117.90517	0.6
119.08591	3.8
121.06512	3.8
121.10144	10.0
122.07296	0.9
123.08067	16.5
123.08952	0.8
125.09624	0.7
129.07025	1.0
130.07770	0.8
131.08568	8.2
133.10133	34.0
135.08038	8.4
135.11690	3.1
137.09621	8.1
143.08536	1.2
144.09348	0.6
145.10139	6.8
147.08005	1.0
147.11687	2.6
149.01192	0.6
149.09619	4.3
149.13266	6.2
150.10381	0.7
158.10916	2.1
163.11211	1.3
163.14833	3.5
173.09601	1.0
173.13269	8.8
176.12030	0.8
191.03326	1.0
191.07056	1.7
191.10791	3.4
191.14313	100.0
192.14645	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	1.4
55.01867	1.3
55.05512	4.9
57.03421	1.2
57.07063	2.4
59.05008	1.1
65.03925	1.3
67.05504	24.0
69.03419	3.6
69.07071	7.7
69.30363	4.5
69.30780	3.1
71.04610	2.1
71.04996	40.6
79.05496	13.2
81.07058	11.9
83.04989	2.4
83.08596	2.5
85.06541	13.8
91.05486	20.3
93.07046	16.9
95.04976	9.6
95.08611	9.9
97.06540	10.8
99.08092	1.3
103.05466	1.4
105.07035	39.9
107.04953	3.4
107.08598	52.0
109.06516	34.4
109.10159	66.6
111.08057	3.3
115.05449	1.7
116.06232	1.4
117.07012	7.1
118.49382	0.9
119.08592	11.1
121.06540	8.0
121.10146	62.1
123.07209	2.0
123.08068	33.3
129.07004	2.8
130.07773	1.3
131.08572	41.9
133.06456	1.6
133.10133	55.7
135.08060	46.6
135.08838	0.7
135.11678	2.2
137.09615	3.7
143.08542	3.6
144.09343	1.4
145.10133	15.6
146.05983	1.0
147.08067	1.3
147.11682	22.2
149.09604	9.8
149.13286	14.2
155.98930	0.9
158.10880	7.6
160.05038	1.3
161.09680	1.1
163.07590	1.3
163.11159	2.1
163.14833	2.4
173.09601	1.5
173.13268	47.7
191.03381	8.6
191.07018	2.7
191.10649	4.2
191.14307	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98612	1.0
53.03942	2.3
54.02897	0.9
55.01851	2.0
55.05520	6.1
56.96563	2.1
57.03424	1.9
57.07073	3.4
64.15139	0.8
65.03930	1.7
67.05510	10.4
69.03085	1.4
69.03431	17.9
69.07071	14.3
69.38526	1.0
71.04999	4.5
71.51143	1.2
79.05074	1.2
79.05497	15.4
81.03420	1.6
81.07063	12.2
83.04983	8.9
83.08617	3.5
85.02914	1.1
85.06535	3.9
91.05482	31.4
93.07048	21.8
95.03664	0.9
95.04958	4.0
95.08609	16.8
97.06538	6.5
103.05467	4.3
105.07037	43.4
107.04960	5.7
107.08600	41.3
109.02913	1.7
109.06526	10.5
109.10159	7.0
111.08076	3.4
115.05452	3.0
116.06254	1.3
117.07030	14.6
119.08588	32.4
121.06518	7.9
121.10151	26.5
122.18481	0.9
123.08073	6.9
123.11698	1.1
128.06221	2.2
129.07007	10.8
130.07787	4.6
131.04903	2.2
131.08571	51.6
133.09116	1.9
133.10138	38.8
135.04355	1.7
135.08066	22.6
135.11702	6.1
137.09595	1.6
143.08572	17.7
144.09354	5.9
145.06468	2.6
145.10132	35.6
147.08040	1.9
147.11691	19.4
148.05150	1.6
149.06004	2.4
149.09642	14.7
149.13264	15.3
149.96133	1.7
150.10493	1.3
155.08553	2.0
156.09380	1.1
158.10919	18.8
160.05083	4.3
161.09612	3.0
161.13249	2.6
163.05922	1.5
163.07550	5.8
163.11179	6.3
163.14828	8.4
165.18413	1.1
167.97131	1.0
171.11633	1.3
173.05991	2.1
173.09686	6.3
173.13271	56.3
176.11903	1.3
191.03365	2.3
191.05414	1.8
191.06981	6.7
191.10692	16.9
191.14311	100.0
192.07727	1.1
210.83681	1.1
212.50725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.94260	0.5
53.03936	1.4
55.05515	5.1
57.07063	2.4
59.04984	1.0
65.03936	1.2
67.05517	3.9
67.54905	0.7
68.99847	0.7
69.03087	1.0
69.03436	15.9
69.07079	7.7
70.10715	0.7
70.11046	2.9
71.04990	0.7
79.05492	4.9
80.38346	0.7
81.07069	3.3
83.04498	0.8
83.04987	14.6
83.08624	0.9
85.06533	1.2
91.05495	6.7
93.07047	8.0
95.05000	1.4
95.08622	3.2
97.06524	2.5
98.20801	0.7
105.07028	7.9
107.04967	1.5
107.08604	23.6
109.02959	0.6
109.06522	4.1
109.10135	2.2
117.03365	0.6
117.07004	2.9
119.07942	0.7
119.08616	7.6
121.06525	7.7
121.10155	14.2
123.08052	3.3
129.07019	1.7
130.07799	0.7
131.08574	11.7
133.10138	15.3
135.08063	16.3
135.11705	2.8
136.08826	2.1
143.08560	4.6
144.09370	0.9
145.10138	7.8
147.08026	1.0
147.11720	7.7
149.09647	4.7
149.13264	4.8
158.10919	7.3
161.09610	4.8
163.11198	1.4
163.14835	1.6
173.09735	1.3
173.13277	18.8
176.11943	2.0
178.18460	0.7
191.10727	3.4
191.14320	100.0
192.14761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53862	1.1
50.64217	1.1
51.14469	0.9
53.03941	2.9
55.01858	1.8
55.05516	9.1
56.96565	1.3
57.03430	1.6
57.07092	1.9
65.03927	1.4
67.05506	9.1
69.03438	28.7
69.07075	8.7
69.47235	7.4
71.04984	2.1
77.03912	1.3
79.05499	42.4
81.03429	2.6
81.07062	40.4
83.04976	16.4
83.08609	3.4
85.06542	3.5
90.94825	0.9
91.05487	17.5
93.07049	18.8
95.04984	5.9
95.08611	7.1
97.06522	1.9
103.02488	1.1
103.05502	1.7
105.04511	1.3
105.07040	25.2
107.04961	29.4
107.08602	69.3
109.02889	1.5
109.06518	7.8
109.10172	10.2
111.08105	2.2
115.05443	2.4
115.07495	0.9
117.07035	5.3
119.08585	9.8
121.06519	13.0
121.10144	19.7
122.07263	3.0
123.08060	4.2
129.07031	2.3
130.07791	1.8
131.04929	1.5
131.08572	18.1
133.10138	100.0
135.08066	15.4
135.11697	2.2
137.09628	22.5
143.05345	1.2
143.08548	4.2
145.06479	2.1
145.10132	11.3
147.08083	1.4
147.11687	8.8
149.01265	1.3
149.09636	4.9
149.13268	15.3
158.10916	7.0
161.09628	4.0
163.07539	1.4
163.11169	4.4
163.14824	3.2
173.09676	1.8
173.13275	21.2
191.03383	3.0
191.07051	2.7
191.10706	8.3
191.14310	94.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.4
55.01862	4.3
55.05499	5.5
56.96554	3.7
57.03439	2.4
57.07071	2.7
59.04998	1.8
60.23324	1.4
67.05514	10.4
69.03436	13.4
69.07075	7.6
70.06532	1.5
70.17490	3.1
70.17889	3.9
71.04983	5.0
73.02888	1.9
79.05496	17.1
81.03412	4.2
81.07066	12.8
83.04990	9.5
83.08625	2.2
85.06537	4.7
91.05487	22.8
93.07056	19.6
95.04990	7.8
95.08601	11.8
97.06522	5.6
98.97586	1.7
103.03955	2.0
103.05447	4.9
105.03387	1.7
105.07042	28.4
107.04977	13.5
107.07883	2.1
107.08596	36.7
109.02869	6.9
109.06532	13.7
109.10159	13.0
111.08049	1.6
115.05434	3.1
116.06268	2.0
117.07021	14.4
118.06527	1.9
119.08587	13.0
121.06520	13.5
121.10152	21.3
122.07301	1.8
123.08065	9.0
123.11687	2.2
128.06163	1.9
129.07037	2.7
130.04985	1.7
130.06607	2.3
130.07729	2.6
131.04895	2.7
131.06894	4.8
131.08571	31.2
133.10139	72.4
135.08049	25.8
135.11670	6.9
137.09618	6.4
143.08548	4.6
144.09265	1.5
145.06502	6.3
145.09070	2.7
145.10133	31.5
146.06000	1.9
147.08018	4.1
147.11707	15.0
149.01207	1.9
149.06033	2.2
149.09628	10.9
149.13290	12.7
149.96106	1.5
150.10391	2.3
155.08568	4.2
158.07300	1.8
158.10919	7.2
159.72885	1.7
160.05139	2.7
161.09654	3.7
163.07530	5.8
163.11124	8.5
163.14871	6.9
163.76189	1.4
167.05542	4.9
168.05627	1.7
170.03664	2.0
173.05902	2.9
173.09622	10.8
173.13275	28.0
176.11961	2.6
191.03461	11.1
191.05434	3.5
191.06969	11.6
191.10657	23.7
191.14313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1795
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03946	1.0
55.05510	9.3
57.07081	4.5
67.05511	9.6
69.07073	25.9
69.81378	1.3
69.81776	1.7
77.03906	0.7
79.05502	9.0
81.07060	11.2
83.08622	11.4
91.05476	3.2
93.07053	32.8
95.08613	48.4
97.10182	3.5
98.21578	0.7
105.07039	3.4
107.08602	37.9
109.06510	0.9
109.10165	43.3
119.08590	2.0
121.10152	46.6
123.11705	5.1
131.08568	1.4
133.10144	2.8
135.08064	1.6
135.11700	59.0
143.15967	0.7
147.11687	2.6
148.12479	2.8
149.09628	0.7
149.13274	27.1
150.02808	0.8
151.94888	0.7
163.11253	1.0
163.14845	1.0
173.13223	1.2
191.10667	1.7
191.14432	4.2
191.17961	100.0
192.18481	1.3
211.43919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0658
Annotation	6-Methoxy-1-methylisatin
Peak:m/z	Relative Intensity
55.25037	0.2
56.96556	0.3
65.03948	0.2
67.05507	0.4
69.03450	0.2
69.07063	0.3
69.37878	1.4
72.93781	0.2
74.47047	0.2
79.05469	0.4
80.05014	0.3
81.03407	0.2
81.07044	0.4
83.05002	0.2
85.36645	0.2
90.94843	0.5
91.05472	0.7
93.07037	0.4
94.06566	0.3
95.04976	0.5
95.19756	0.2
98.20764	0.4
98.97597	0.2
105.07017	0.7
106.06583	0.4
106.07359	0.5
107.08583	0.3
108.08121	0.7
115.07568	0.2
118.06538	0.9
119.04938	0.3
119.08571	0.2
122.06027	0.4
122.10540	0.2
124.07597	0.2
132.08904	0.3
132.95850	1.3
133.06453	0.3
133.10141	0.2
134.06026	4.9
134.10457	0.3
136.07582	2.1
146.05978	1.4
146.10500	0.5
147.04439	0.3
147.06813	2.3
147.07930	0.3
148.07617	0.6
149.02403	0.2
149.04707	0.4
149.96141	0.3
150.96935	2.0
160.05098	2.6
161.05989	0.5
161.23393	0.2
162.05518	1.3
163.06271	0.6
164.07080	23.1
174.05542	0.4
174.13603	0.4
178.02638	0.3
192.06566	100.0
192.13910	1.2
192.17430	1.7
193.04964	1.2
193.06866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.077
Annotation	Carbendazim
Peak:m/z	Relative Intensity
55.05494	0.2
56.96560	0.4
65.03931	0.2
67.05515	0.2
68.05833	0.2
68.68565	0.2
68.97845	0.2
69.91373	0.2
70.47107	0.3
70.47482	0.4
79.05495	0.3
84.05267	0.2
86.09672	0.2
95.04980	0.2
105.07060	0.4
107.04955	0.5
110.07073	0.2
114.47236	0.2
132.05583	2.1
132.95848	0.5
133.02815	0.2
133.06346	0.4
135.05556	0.2
136.08525	0.2
145.70206	0.2
146.06017	0.4
146.10504	0.3
148.07620	0.3
150.96959	0.5
160.05083	100.0
161.05386	0.2
163.04028	0.3
163.07658	0.2
164.07932	0.5
165.51730	0.2
190.28952	0.2
190.83513	0.2
192.07722	29.9
192.11267	1.5
192.13762	0.5
192.17548	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02386	1.0
53.03946	7.5
55.01868	2.7
55.05511	7.3
57.03436	0.7
57.29469	0.5
59.05001	1.3
62.62175	0.5
65.03931	1.2
67.05507	24.6
69.03423	0.9
69.07069	7.7
69.95477	2.4
71.04996	10.0
73.06546	0.6
76.56131	0.5
77.03928	1.8
79.05495	55.9
80.28114	0.5
81.03422	10.2
81.07059	19.5
83.04990	5.7
83.08611	2.8
85.02917	0.6
85.06541	3.5
87.04467	1.2
91.05483	78.6
92.05804	0.7
93.07046	100.0
94.07400	0.5
95.04969	16.8
95.08601	2.6
97.02911	0.5
97.06532	2.4
103.05510	0.8
105.04532	3.8
105.07033	35.0
107.04940	2.3
107.08591	3.1
109.06529	6.6
109.10144	0.6
111.08083	0.6
113.05994	2.3
113.17085	0.6
115.05456	2.4
116.06185	0.7
117.07006	1.5
118.06593	0.6
119.08584	17.5
121.06451	1.1
121.10145	0.6
123.08060	0.6
127.07549	2.3
128.06238	1.4
129.07014	15.4
131.07597	1.2
131.08577	22.2
133.06479	2.3
133.10135	78.8
134.10451	0.6
137.09650	0.7
142.07777	3.4
145.10112	1.2
147.08058	6.0
147.11691	15.9
149.09616	2.9
157.10126	22.3
161.06053	1.0
165.12811	0.7
175.11192	17.3
193.04965	1.7
193.08531	1.2
193.12242	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	193.1225
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03942	3.9
55.01884	3.4
55.05519	9.1
56.96582	0.7
57.03438	10.5
57.07083	0.9
61.60233	0.5
65.03938	2.7
66.66386	0.6
67.05508	26.4
69.03434	3.3
69.07077	3.7
69.46040	4.4
71.05006	1.8
75.34824	0.5
79.05502	19.8
79.86070	0.6
81.03423	100.0
81.07059	14.8
83.04989	5.8
83.08628	13.3
85.06541	0.8
91.05486	21.5
93.07053	12.4
95.04977	41.2
95.08600	4.7
97.02901	2.3
97.06554	1.8
97.10159	1.3
103.05511	0.8
105.07039	20.9
107.04966	8.7
107.08605	6.5
109.06553	5.0
109.10172	4.8
111.04466	2.0
111.08099	2.7
115.05477	2.8
117.07080	1.5
119.04958	1.3
119.08587	14.1
121.06479	3.4
121.10148	5.1
123.04449	1.3
123.08105	2.2
128.06241	0.9
129.07013	9.8
131.08575	8.8
133.02910	0.8
133.06491	8.8
133.10127	11.6
135.08130	0.6
135.11708	2.7
137.06010	1.3
137.09633	2.4
142.07799	3.1
145.10263	0.6
147.07019	0.8
147.08029	4.0
147.11713	10.1
149.09650	4.8
150.03146	1.0
151.07576	0.9
151.11212	0.9
157.10135	6.3
157.19591	0.6
161.06012	5.8
165.12773	2.3
175.11208	9.3
175.14859	3.4
178.02660	1.6
193.04976	5.2
193.08615	1.2
193.12251	18.1
193.14130	0.9
193.15807	2.9
197.04297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
50.01595	0.8
53.03732	1.0
53.03948	7.7
55.01876	4.6
55.05513	9.0
57.03424	3.6
65.03934	2.2
67.05507	31.2
69.03416	2.8
69.07068	7.0
70.91095	1.2
70.91409	1.2
71.04998	5.4
77.03941	1.0
78.45990	0.8
79.05498	33.7
81.03420	100.0
81.06593	1.2
81.07060	23.0
81.23303	0.9
83.04983	7.3
83.08624	12.6
85.02905	1.2
85.06554	2.3
91.05482	51.3
93.07049	33.2
93.07641	1.5
95.04970	45.0
95.08607	4.1
97.02883	1.9
97.06524	4.5
99.08082	1.4
103.05468	1.6
105.04543	1.6
105.07035	32.7
107.04962	12.7
107.08604	5.4
109.06544	6.4
109.10119	1.8
111.04433	2.6
111.08083	4.0
113.06035	0.8
115.05427	4.5
116.06207	0.8
117.07005	1.3
119.04961	1.1
119.08579	19.4
121.06494	2.5
121.10130	6.1
123.08067	1.9
128.06296	0.9
129.07008	15.6
131.08575	19.0
133.06561	5.4
133.10136	58.2
135.11696	1.2
137.09636	2.0
142.07764	4.4
145.10127	1.3
147.08047	6.7
147.11697	21.9
149.09615	18.4
150.02998	0.8
151.11191	1.1
157.10144	23.9
161.06012	2.0
165.12776	2.4
171.66008	0.8
175.11189	27.0
175.14877	2.7
178.02588	1.4
180.30850	0.8
193.04947	4.1
193.08630	2.3
193.12251	34.8
193.15904	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1225
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02386	1.6
53.03946	7.0
55.01873	1.8
55.05516	9.7
57.03423	1.6
59.04996	1.1
64.57783	1.1
65.03934	2.5
67.05506	33.5
69.07058	10.6
70.69520	2.3
71.05002	9.4
73.06538	1.5
73.69882	1.0
77.03915	2.0
77.19627	1.0
79.05495	65.3
81.03062	0.9
81.03422	9.6
81.06591	1.9
81.07058	27.2
83.04985	10.0
83.08600	4.3
85.06528	3.8
87.04479	1.3
91.05482	80.3
93.07044	100.0
94.07329	1.5
94.56966	1.1
95.04967	18.4
95.08597	6.4
97.02883	1.3
97.06514	3.2
105.04517	3.3
105.07034	36.9
107.04965	6.5
107.08588	6.9
109.06528	6.6
109.10107	0.9
113.05994	4.2
115.05420	2.3
116.06201	1.1
117.06995	1.4
119.08571	19.9
121.10146	2.3
127.07542	2.7
128.06114	1.0
129.07016	17.7
131.08569	26.9
133.06494	3.0
133.10133	88.9
135.07996	1.1
135.11694	2.1
137.09625	1.4
142.07758	4.5
145.10086	2.1
147.08073	8.7
147.11687	23.2
147.35873	1.0
149.09636	3.0
157.10129	29.5
161.05914	1.1
163.11253	1.8
163.57770	1.1
164.31375	0.9
165.12729	1.8
175.11195	25.4
175.14807	1.1
193.04968	3.6
193.10439	2.5
193.12233	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
53.03936	1.1
55.05514	9.8
57.03426	0.9
57.07059	1.7
58.05795	0.9
59.04990	1.0
67.05511	8.9
69.07072	29.7
69.96154	4.4
71.04999	15.9
79.05494	5.8
81.07053	21.6
83.04949	1.5
83.08603	2.5
83.36716	0.9
85.06554	11.7
91.05474	6.1
93.06491	1.6
93.07046	24.4
95.04970	31.8
95.08061	1.6
95.08616	18.2
97.06519	2.8
97.10167	11.6
99.08100	6.6
105.07039	12.9
107.08596	32.2
109.06519	100.0
109.10155	18.5
111.08075	7.0
111.11729	3.7
115.05427	1.1
119.08586	24.3
121.10149	8.1
123.08059	7.5
123.10832	1.4
123.11704	20.8
125.09662	0.9
131.08534	1.2
133.10130	23.1
133.45549	0.9
135.11694	32.8
137.09633	14.2
147.11707	5.4
147.12677	0.8
149.13255	10.3
151.11150	4.2
151.14821	1.4
175.14836	40.8
179.99147	0.8
193.04956	2.5
193.08556	1.1
193.12213	2.4
193.15886	72.3
193.88242	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
51.02392	0.6
53.03953	2.1
54.54756	0.4
55.01875	2.1
55.05512	7.9
57.03443	1.4
57.07075	3.4
59.05010	4.8
60.91533	0.4
64.67439	0.4
65.03939	0.9
67.05508	15.3
69.03438	2.3
69.07073	10.4
71.05001	1.0
71.43336	0.7
77.03938	0.7
79.05497	9.9
81.03421	38.3
81.07056	10.8
83.04988	3.3
83.08624	6.9
85.06551	2.1
91.05485	17.7
93.07046	10.2
95.04374	0.8
95.04974	15.4
95.08613	20.7
97.02902	1.1
97.06560	0.8
97.10162	0.4
98.97587	0.8
99.08112	2.1
103.05466	2.7
104.06257	0.6
105.07039	33.5
107.04935	3.3
107.08604	8.5
108.05643	0.5
109.06522	2.8
109.10163	20.4
109.79266	0.4
111.04434	1.2
111.08106	1.7
113.29169	0.5
115.05454	4.3
117.07012	1.8
118.04139	2.2
119.05008	0.9
119.08588	55.5
119.18040	0.4
121.06498	1.2
121.10145	6.9
123.08067	3.4
123.11716	1.9
129.05519	0.6
129.07019	3.5
131.05009	0.5
131.08548	4.7
133.02875	1.5
133.06508	16.7
133.10138	66.1
134.10864	1.6
135.08040	1.0
135.11697	14.3
137.05954	1.0
137.09621	8.8
142.07762	1.0
143.06049	1.8
145.10118	4.3
146.03661	1.2
147.04451	0.5
147.08087	1.7
147.11697	20.4
149.02425	0.5
149.09633	1.6
149.13274	5.4
151.07486	0.5
151.11232	1.3
151.14841	4.8
157.10127	3.0
157.53235	0.5
159.11687	0.9
160.12534	3.0
161.06009	19.8
165.05453	0.6
165.12790	0.8
173.13309	1.3
175.04033	0.5
175.11491	3.4
175.14830	100.0
176.15149	0.9
178.02675	1.1
178.06325	2.7
178.07628	0.5
193.04994	6.4
193.08600	4.7
193.12267	6.7
193.13977	0.8
193.15883	16.7
194.15480	0.6
194.74243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.159
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.02380	0.5
52.02608	0.4
53.03953	4.1
55.01876	3.5
55.05514	12.1
57.03442	3.1
57.07086	2.6
59.05009	1.5
65.03951	2.6
67.05511	27.3
69.03439	4.4
69.06729	0.6
69.07076	7.2
69.44181	2.8
71.05011	2.3
77.03938	0.5
79.05502	19.5
81.03425	100.0
81.07061	20.4
83.01329	0.6
83.04988	7.1
83.08627	13.7
85.02907	0.6
85.06561	3.7
89.70066	0.4
91.05489	23.8
93.07054	15.6
94.04167	0.6
95.04976	39.6
95.08614	16.3
97.02889	2.3
97.06549	2.3
97.10189	1.2
98.11852	0.5
99.08105	9.9
103.05503	3.4
105.04527	0.9
105.07038	38.4
107.04966	7.7
107.08601	13.0
109.06534	4.6
109.10165	18.6
111.04470	2.2
111.08086	4.2
115.05452	6.1
116.06192	0.6
117.07034	2.4
118.04134	2.0
119.04946	1.6
119.08591	42.4
121.02869	0.6
121.05733	0.4
121.06506	2.1
121.10149	7.7
123.04441	0.8
123.08066	4.2
123.11698	2.2
125.06034	0.7
125.09671	0.4
129.07016	8.5
131.04961	0.8
131.08582	8.7
132.05759	0.5
133.02853	1.2
133.06505	19.0
133.10141	41.0
135.08092	2.3
135.11699	16.6
135.12733	0.9
137.05984	1.3
137.09621	10.3
142.07814	2.4
143.04958	0.6
143.06047	1.4
145.10124	2.3
146.97412	0.6
147.08058	4.7
147.11699	16.7
149.02306	3.3
149.09642	4.9
149.13289	3.6
151.03920	0.7
151.07526	0.7
151.11169	2.1
151.14873	2.9
157.10152	7.1
160.12521	1.4
161.06021	18.5
162.06435	0.4
165.05443	0.6
165.12788	1.6
165.16457	0.6
173.13327	0.7
174.93523	0.4
175.11241	8.3
175.14838	52.6
178.02669	2.0
193.04964	8.2
193.08623	6.9
193.10306	1.0
193.12263	14.1
193.15909	18.0
193.17702	0.9
194.15395	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
50.65472	0.4
53.03941	0.9
55.01855	0.5
55.05516	5.0
57.07081	3.9
59.04998	1.0
61.74257	0.4
65.03938	0.9
67.05510	8.3
69.03427	0.5
69.07071	9.0
70.96267	0.7
73.00015	0.4
79.05486	3.2
81.03424	4.4
81.07057	7.4
82.66862	0.3
83.04971	1.0
83.08608	3.4
84.67084	0.4
85.06530	1.8
91.05482	8.6
93.07046	7.6
95.04983	2.6
95.08611	24.2
97.06545	0.5
103.05438	1.0
105.07039	15.1
107.04963	0.5
107.08595	7.9
109.06520	1.6
109.10162	22.7
111.04452	0.5
111.08086	0.5
115.05470	1.1
116.49895	0.5
117.07057	1.9
119.08588	53.6
120.09384	0.5
121.10150	4.8
123.08035	2.1
123.11725	1.6
129.07051	0.6
131.07712	0.5
131.08580	2.5
133.06523	2.2
133.10135	65.2
134.10826	1.3
135.10709	0.8
135.11707	13.8
137.09625	8.9
137.10609	0.7
145.10120	4.0
146.10928	0.5
147.08029	0.7
147.11696	15.4
149.02322	0.4
149.13252	4.9
151.11182	0.4
151.14842	5.3
157.10132	0.6
159.11671	0.6
160.12476	3.3
161.05977	2.3
173.13281	1.3
175.14830	100.0
176.15161	0.7
178.02560	0.5
193.05002	2.5
193.08603	1.3
193.10342	0.4
193.12257	1.3
193.15894	17.7
200.78348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
53.03933	0.3
55.05507	0.7
56.96547	0.7
65.03930	0.4
66.98505	0.3
67.05497	1.2
68.96328	0.4
68.99781	0.5
69.07059	0.4
69.26252	2.7
70.46784	0.3
75.95104	0.4
79.05485	3.0
81.03419	0.6
81.07056	1.8
83.04977	0.4
89.03919	11.1
89.06035	1.2
91.05463	1.3
93.07040	1.4
94.93850	0.3
95.04945	1.0
95.08624	0.8
97.06593	0.4
105.07013	0.4
107.04964	3.9
107.08591	1.4
109.98927	0.4
117.03378	15.4
119.04952	0.4
121.06500	0.5
121.10160	0.8
125.05937	0.4
125.09608	0.6
130.96306	0.9
135.04419	24.2
135.11662	0.9
139.07623	0.4
143.05386	0.4
145.02847	21.4
148.97356	0.9
149.05975	0.7
149.09653	0.5
153.05479	1.5
153.09114	0.8
153.97896	0.7
163.03902	100.0
164.04282	0.5
164.06987	0.3
167.08568	0.4
171.98965	0.9
177.05457	6.1
177.09125	1.4
177.12778	0.6
186.05499	0.5
189.91742	0.3
195.02911	0.9
195.06485	0.7
195.10155	0.4
195.13844	0.4
195.15721	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03944	6.3
55.01867	5.8
55.05515	20.2
56.96560	4.3
57.03433	6.6
57.07076	4.3
58.04993	1.6
58.48830	1.5
59.68676	1.4
65.03941	5.7
67.05509	76.2
68.96320	2.6
69.03422	3.1
69.07072	20.5
70.46290	3.9
70.46618	1.6
71.01375	1.6
71.04991	6.3
71.08636	1.6
71.95290	1.9
79.05499	53.0
80.05844	1.5
81.03422	15.0
81.07063	100.0
83.04990	28.3
83.08626	11.2
85.06537	4.4
87.04469	1.9
89.03902	8.4
89.06039	22.4
91.04973	2.8
91.05489	30.6
93.07050	73.3
95.04977	11.7
95.08614	47.6
97.06546	16.0
99.04488	1.5
99.08090	2.8
100.02488	4.2
105.04513	1.6
105.07028	12.2
107.04948	4.8
107.06998	1.5
107.08601	31.6
109.06535	5.6
109.10162	5.5
109.86787	1.7
109.98957	3.0
111.08112	8.9
117.03384	14.6
117.07007	13.2
118.03530	1.7
119.08577	5.0
121.06515	8.1
121.10173	12.4
123.08071	2.9
123.11703	1.8
130.96254	4.1
131.08556	15.1
133.02852	4.8
133.08609	5.3
133.10167	17.3
134.03661	1.9
135.04445	6.6
135.08061	8.1
135.11699	24.8
139.07564	2.9
139.11134	1.6
145.02859	22.6
147.11661	1.8
148.97346	3.9
149.06013	7.8
149.09599	2.9
149.13277	23.8
149.97186	2.4
151.11194	2.4
153.09099	2.7
153.97906	3.5
159.11696	23.6
163.02554	3.6
163.03917	64.8
167.08723	1.5
171.98958	5.1
177.05486	40.3
177.12790	12.8
177.16415	2.7
180.09335	3.0
189.66229	1.4
195.02864	7.8
195.06548	3.8
195.08221	2.6
195.11728	8.5
195.13818	26.3
195.15735	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	195.1381
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03939	6.1
55.01863	4.6
55.05515	18.9
57.03445	15.0
57.07081	2.2
65.03954	2.7
67.05509	67.6
69.03416	4.1
69.07071	19.9
71.04986	5.2
71.12450	2.4
75.09116	1.7
76.25193	1.5
77.12440	1.6
79.05496	43.8
80.05836	1.6
81.02943	1.6
81.03420	31.7
81.07059	100.0
83.04987	21.2
83.08633	9.5
85.06535	5.2
89.06039	5.2
91.05484	34.9
93.07053	63.3
94.07393	2.8
95.04965	9.6
95.08607	31.9
97.06541	17.0
97.10181	2.2
99.08066	3.4
99.58945	1.9
105.07030	13.2
107.04948	3.0
107.08606	28.7
109.06515	5.7
109.10168	6.4
109.98959	1.7
111.08090	6.5
117.03380	6.1
117.07040	14.7
119.08582	4.1
121.06530	11.3
121.10156	15.7
123.08076	18.0
123.11712	1.6
131.08575	18.3
133.02818	2.4
133.10152	26.5
135.04414	3.0
135.08015	4.5
135.10732	2.2
135.11693	23.6
137.09622	1.9
145.02864	10.3
149.13269	27.5
151.11253	2.1
153.05380	1.8
155.35822	1.7
159.11710	19.8
163.03911	28.1
171.98994	3.1
177.05521	10.9
177.12817	13.2
195.02975	2.6
195.08301	1.6
195.10068	2.1
195.11879	2.6
195.13855	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03952	3.8
55.01870	4.3
55.05513	15.9
56.96576	0.6
57.03434	8.4
57.07073	2.9
65.03935	2.3
67.05505	66.4
68.05843	0.7
68.96343	0.7
69.03443	1.4
69.07070	19.2
69.95662	1.8
69.96080	1.4
71.01365	1.9
71.04997	6.4
71.08632	0.7
73.02937	1.3
77.03943	0.9
79.05495	39.0
81.03419	6.3
81.07057	100.0
82.07408	0.8
83.04978	14.0
83.08620	12.4
85.06536	4.0
89.03928	1.6
89.06035	3.1
91.04906	1.2
91.05482	25.6
93.07045	62.0
95.04964	5.4
95.08607	31.1
97.06535	15.2
97.10159	1.6
99.04491	1.0
99.08083	3.5
100.02467	0.8
105.04540	1.4
105.07035	9.3
107.04938	1.9
107.08595	27.6
109.06509	2.2
109.10151	3.7
109.98968	1.0
111.08080	7.0
113.06008	0.9
113.09641	1.7
117.03380	3.8
117.07033	10.4
119.08607	2.7
121.06548	3.4
121.10149	13.5
123.08096	0.9
123.11740	1.4
125.09657	0.8
129.07024	0.6
130.96301	1.6
131.08582	11.3
133.02908	1.0
133.06544	0.7
133.08597	0.9
133.10133	11.5
135.04442	2.4
135.08089	3.6
135.11693	22.3
135.91722	0.6
136.58003	1.1
139.07529	0.9
144.09389	0.9
145.02872	7.1
146.38626	0.6
147.11670	0.7
148.97380	1.7
149.06006	2.1
149.09619	1.8
149.13266	27.6
151.11243	1.2
151.58597	1.2
153.97890	1.4
157.10179	0.7
159.11691	17.7
163.03909	19.3
163.05244	1.2
171.98996	2.0
177.05464	8.4
177.12741	12.4
177.16403	1.1
195.02901	1.9
195.06540	0.8
195.08115	1.2
195.10168	0.7
195.11972	1.2
195.13811	17.1
195.15686	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03952	5.9
55.01876	4.6
55.05523	21.4
56.96553	1.4
57.03440	8.3
57.07077	3.1
59.36894	1.1
65.03950	3.8
67.05511	79.6
69.03424	2.3
69.07072	18.6
71.05000	9.0
71.53390	1.7
71.63513	1.3
73.02930	1.4
79.05500	54.9
81.03422	25.5
81.07065	100.0
83.04996	21.1
83.08627	14.8
85.06559	3.1
87.04480	1.8
89.03935	4.3
89.06044	10.6
89.28492	1.2
91.05490	34.2
93.07051	63.6
95.04961	8.9
95.08616	38.3
97.00533	1.4
97.06538	17.4
97.10191	1.7
99.08109	1.7
103.05479	1.6
105.04526	1.7
105.07035	13.1
107.04970	3.2
107.08602	27.1
109.06525	4.7
109.10182	4.9
111.08089	6.2
113.09718	1.7
117.03390	7.8
117.07019	16.9
119.08608	3.0
121.06549	10.2
121.10154	14.5
123.08117	2.5
131.08572	18.7
133.02855	1.9
133.08652	2.2
133.10139	24.7
135.04428	3.0
135.08095	5.4
135.11710	27.3
139.07585	1.9
144.09398	1.5
145.02864	10.9
149.06007	4.0
149.09651	3.1
149.13274	27.6
151.11125	3.3
159.11705	21.0
163.03917	26.7
168.54941	1.5
177.05478	20.8
177.12758	15.1
188.81081	1.3
195.02946	3.9
195.06641	1.7
195.08417	1.8
195.10133	1.6
195.11882	2.0
195.13817	29.1
195.15549	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03945	4.0
55.01857	3.1
55.05516	100.0
56.12115	0.9
59.63356	1.0
65.03921	1.2
67.05508	15.7
68.96333	2.3
69.03429	4.5
69.07076	83.4
69.30180	2.4
69.30590	5.4
71.04999	2.3
79.05507	6.9
81.03424	2.9
81.07070	7.2
83.04990	88.5
83.08595	1.3
84.08163	1.4
85.02913	1.2
85.06549	1.3
89.03929	14.3
89.06010	3.3
91.05494	7.1
93.03410	2.4
93.07063	14.8
95.04975	7.0
95.08617	17.2
97.06535	14.3
103.05446	2.1
105.07025	5.5
106.04171	1.0
107.04964	4.8
107.08604	12.6
109.02860	1.6
109.06525	4.0
109.10162	15.7
109.98950	1.8
111.04427	1.6
111.08088	15.3
117.03394	33.7
119.08579	3.5
121.06512	3.6
121.10146	4.4
123.08056	2.0
125.05995	2.9
130.96252	4.6
131.08598	3.3
133.10167	1.8
134.03616	5.5
135.04448	7.0
135.08124	2.4
135.11700	11.1
137.09634	63.9
139.05089	1.4
145.02859	65.0
148.97372	3.2
149.05995	17.7
149.08600	1.1
149.09604	5.5
149.13301	2.2
153.05516	6.8
153.12759	68.5
153.97908	5.2
159.11691	7.0
162.03117	1.4
163.03905	13.7
171.99022	4.2
177.05486	97.9
177.12790	6.7
178.05800	1.4
195.02885	2.9
195.06505	3.4
195.08540	1.7
195.10170	2.2
195.13756	11.5
195.15395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03936	4.1
55.01860	2.8
55.05276	1.3
55.05514	17.7
56.01571	0.8
57.03447	4.9
57.07061	2.1
65.03922	3.5
67.05510	68.5
69.03419	1.7
69.06731	1.6
69.07072	18.2
71.01363	1.9
71.03349	1.1
71.03679	0.9
71.04999	4.9
75.22226	1.0
79.05497	41.8
81.03427	11.7
81.07061	100.0
83.04987	12.1
83.08628	13.1
84.03018	0.8
85.02899	1.2
85.06544	4.7
91.04911	1.7
91.05488	38.4
93.07049	60.4
95.04987	4.8
95.08611	32.2
97.06540	12.4
97.10150	0.9
99.08089	2.1
105.07043	11.3
107.04961	1.7
107.08600	26.9
109.06519	2.6
109.10141	3.8
111.08097	5.4
113.06013	1.0
117.07021	12.2
119.08578	2.7
119.30613	0.9
121.06494	6.1
121.10132	10.2
123.11694	2.8
125.09580	1.2
129.07024	1.0
131.08566	14.5
133.02856	1.6
133.10144	26.7
135.08044	3.5
135.10707	1.8
135.11702	30.5
147.11717	1.0
149.13266	22.1
151.11189	4.1
155.42796	0.9
159.11697	19.7
163.03894	13.2
167.14279	1.0
169.33281	0.9
177.05540	1.8
177.12785	11.7
192.61259	0.9
195.13805	24.2
199.72968	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
50.46018	1.5
53.03944	7.5
55.01869	2.6
55.05519	19.1
55.62486	1.4
57.03439	9.6
57.07075	4.0
65.03943	2.8
66.12976	1.5
67.05511	25.8
69.03426	6.3
69.07072	38.1
69.14737	12.8
69.15149	3.4
71.05005	17.4
75.10062	1.6
76.58649	1.7
77.03928	3.4
78.75511	1.8
79.05498	51.0
81.03415	6.8
81.07062	55.8
83.04996	4.0
83.08620	7.6
84.66772	1.6
85.06534	2.8
89.03934	5.1
89.06039	8.2
91.05483	34.5
93.07052	81.0
94.10516	1.6
95.04960	9.7
95.08617	21.8
97.06535	7.9
98.20808	4.6
101.70904	1.5
103.05459	2.7
105.04518	2.3
105.07036	23.8
107.04958	6.5
107.08607	46.5
109.06525	14.0
109.10170	2.6
111.08122	1.6
115.05436	2.1
117.03379	10.3
117.07046	20.3
119.08602	15.5
121.06523	15.2
121.10146	15.0
123.08093	14.9
129.07007	5.1
130.07777	2.5
130.96307	5.3
131.08577	30.9
133.02887	7.7
133.03711	1.6
133.06508	34.0
133.07520	1.4
133.08643	3.6
133.10129	8.3
135.04446	10.3
135.08047	8.5
135.11720	10.1
135.51266	1.7
137.09647	2.2
144.09364	7.3
145.02841	21.5
148.97383	2.7
149.05983	6.6
149.09627	2.5
149.13286	18.8
150.05916	1.7
153.97940	2.0
159.11717	19.5
163.03914	100.0
171.98915	2.5
174.08951	2.4
177.05478	28.4
177.12758	13.9
177.16382	1.8
195.02859	4.1
195.06514	1.8
195.08170	2.6
195.12042	1.9
195.13814	8.2
195.15520	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	195.1381
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03959	3.3
53.33208	0.6
55.01874	3.6
55.05514	18.0
57.03447	4.5
57.07078	1.6
65.03941	3.0
67.05508	71.1
69.03438	1.4
69.07075	19.2
70.16741	2.3
70.82214	0.6
71.01364	1.5
71.05003	7.4
71.08628	0.8
73.02916	1.3
73.06533	0.7
79.05497	40.5
81.03423	11.1
81.07059	100.0
82.07376	0.8
83.04990	10.2
83.08625	12.7
83.41639	0.6
85.02904	1.1
85.06541	4.0
87.36409	0.6
89.03903	1.0
89.06040	2.0
91.05484	37.5
93.07048	59.9
95.04974	7.0
95.08610	30.5
97.06532	12.3
97.10151	1.2
99.04464	0.9
99.08092	1.5
105.04529	1.2
105.07037	11.9
107.04971	2.1
107.08598	27.1
109.06516	2.9
109.10163	3.0
111.08092	5.4
113.06011	0.8
115.05414	0.9
117.03360	2.3
117.07024	14.6
119.08572	2.2
121.06500	5.7
121.10144	10.0
123.08074	1.8
123.11712	4.1
125.09688	1.1
129.06946	0.7
131.08565	15.1
133.02834	1.4
133.06532	3.9
133.09114	1.5
133.10136	30.4
135.08087	2.9
135.11694	27.3
136.47644	0.7
139.07553	0.9
145.02840	4.4
147.11728	1.1
148.97409	1.0
149.05986	1.1
149.09641	2.1
149.13268	22.2
151.11176	3.9
159.11693	17.7
163.03911	14.0
167.14290	0.9
177.05518	4.3
177.12746	11.6
187.20937	0.8
195.02846	1.6
195.12025	1.4
195.13831	22.6
195.15498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
52.42668	1.1
53.03962	1.4
55.01867	3.5
55.05515	14.3
57.07066	5.0
58.92723	1.2
62.85545	1.1
67.05506	14.5
68.96345	1.4
69.03424	6.8
69.07069	29.8
70.85469	3.0
71.04987	7.9
79.05496	12.4
81.03413	3.6
81.07062	44.3
81.70396	1.4
83.04979	2.7
83.08630	15.3
84.08128	1.3
85.06548	4.9
85.10169	1.3
89.03924	6.8
89.06035	5.0
91.05486	8.1
93.07052	28.5
95.04962	2.6
95.08610	56.8
97.06567	2.3
97.10168	8.5
99.08097	33.7
103.05459	1.6
105.06999	6.2
107.04941	4.2
107.08595	43.7
109.10159	11.5
109.98918	1.8
110.99017	1.7
111.04449	1.3
111.08060	9.4
111.11746	2.1
113.09642	5.5
117.03384	13.3
119.08595	1.9
121.06510	3.7
121.10151	60.3
123.11697	3.9
125.09636	21.0
130.96298	3.8
131.08580	4.0
133.10152	3.5
134.03639	1.6
134.99002	2.4
135.04428	4.0
135.08023	3.1
135.11708	17.9
137.13263	18.6
139.11186	4.1
145.02847	28.2
147.11650	1.4
148.97398	5.2
149.06001	8.1
149.09624	4.3
149.13277	9.2
151.99274	13.6
153.05467	1.8
153.97911	3.5
159.11717	4.0
163.03902	11.5
165.07066	2.0
167.01634	51.0
167.08646	1.5
171.98973	5.5
177.05482	43.2
177.09004	2.0
177.12775	3.8
177.16396	100.0
186.05583	1.4
195.01140	61.7
195.02870	4.6
195.06517	3.7
195.08279	2.6
195.10172	1.7
195.11801	1.3
195.13803	5.4
195.15715	2.7
195.17438	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	197.1175
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03951	5.6
55.01869	2.0
55.05513	10.3
57.03438	2.1
57.07063	1.7
59.04996	1.8
67.05507	5.7
69.03433	2.8
69.07058	3.4
69.85261	3.6
69.85629	2.1
70.95869	22.2
71.01351	1.2
72.93793	9.2
73.02888	1.1
77.03944	1.6
79.05502	8.0
81.03412	1.9
81.07060	9.6
83.04981	2.0
85.06512	1.4
88.96896	2.3
90.94813	1.8
91.05483	14.2
93.07048	18.2
95.04964	10.9
95.08613	5.3
97.06533	2.8
98.20829	1.6
99.04448	4.9
105.03398	100.0
105.04520	3.1
105.06405	1.6
105.07038	24.2
107.05017	1.2
107.08604	60.3
109.06535	9.3
109.10177	7.4
111.04378	1.1
111.08029	1.2
111.98484	24.5
111.99252	1.6
113.96408	2.3
114.94801	1.7
117.07059	1.0
119.04939	2.9
119.08582	7.1
121.06500	3.7
121.10119	2.6
123.04470	9.2
123.08060	1.6
123.11726	4.4
125.06006	25.8
125.09634	2.5
127.03928	11.0
129.99510	8.1
131.08554	3.2
132.95844	55.3
133.10144	51.8
135.08055	1.6
135.11702	47.3
137.05994	38.1
137.06816	0.7
137.07065	1.1
137.09615	4.7
140.04677	1.4
141.05489	1.3
143.08546	2.5
144.46938	1.1
146.07320	1.5
147.04366	1.0
150.96901	40.1
151.11215	7.5
155.07140	1.4
155.97435	40.0
161.09637	29.7
161.13240	1.6
173.98511	42.0
179.07231	7.9
179.10683	95.0
180.10924	1.3
197.00125	2.7
197.08105	5.0
197.11740	74.2
198.18538	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	197.1174
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03968	0.8
55.01890	1.4
55.05508	3.7
55.70960	0.6
57.07097	1.1
59.05014	0.8
65.39064	0.7
67.05500	4.8
69.03466	1.6
69.07094	3.1
69.48597	3.6
70.06625	0.7
70.95866	9.0
70.96230	0.7
71.01342	0.7
72.93782	4.5
73.02938	2.1
78.90289	0.6
79.05489	7.8
81.07056	10.0
83.04972	0.9
87.04514	0.8
90.94844	1.5
91.05483	15.4
93.07049	17.1
95.04988	2.1
95.08613	6.2
97.06538	1.7
99.04475	1.0
99.05576	1.5
105.07034	26.7
107.08597	100.0
109.06509	3.4
109.10159	6.6
111.98483	11.5
114.94799	1.1
117.07034	1.0
119.04984	1.4
119.06034	1.2
119.08585	16.1
121.06497	2.3
121.10145	14.5
123.08058	2.7
123.11690	2.8
125.05967	2.1
125.09584	1.7
128.06221	1.0
129.99538	3.4
131.08539	2.9
132.05757	0.8
132.94865	1.5
132.95834	23.5
133.10135	60.3
135.08040	1.0
135.11664	3.3
136.11201	1.4
137.05984	5.1
137.09590	2.8
139.07553	4.0
143.08546	2.3
146.07224	1.6
149.09613	11.7
150.96896	16.0
151.03851	1.0
151.07475	3.1
151.09425	0.9
151.11183	20.8
155.96252	1.2
155.97432	18.0
161.09625	17.9
161.13165	0.8
167.10684	34.5
173.98506	17.1
179.10626	43.7
179.11826	2.2
180.06474	1.0
186.29675	0.8
197.00092	1.0
197.11610	72.7
198.18494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1174
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03947	0.7
54.64277	0.6
55.01869	1.2
55.05519	6.9
57.07081	1.6
59.05001	3.8
63.79616	0.5
67.05506	18.2
69.03426	1.7
69.07074	4.8
69.45878	4.8
70.95870	6.6
71.05008	1.6
72.93801	2.2
73.88587	0.8
79.05498	6.8
81.07059	30.7
83.04978	1.5
83.08620	1.8
83.31445	0.6
85.06544	1.7
90.94849	0.7
91.05482	15.2
91.06029	1.2
92.35793	0.6
93.07048	22.0
95.04968	7.1
95.08614	20.7
95.09238	1.0
97.06516	1.4
97.10139	1.3
98.21603	0.9
100.42863	0.6
105.06310	0.9
105.07034	25.8
107.08597	60.2
108.00285	0.6
109.06530	5.6
109.10166	7.3
111.08075	1.0
111.98486	8.0
113.05980	0.9
114.94767	1.0
117.07022	1.0
119.04968	1.9
119.08592	10.8
121.06517	6.9
121.10151	1.8
123.04439	2.8
123.08075	1.5
123.11686	3.1
129.99519	1.5
131.08536	3.4
132.95844	15.5
133.10135	59.2
135.08044	2.0
135.11696	59.1
137.05991	2.4
137.09637	4.1
137.13264	26.3
143.08595	1.0
146.04173	0.6
146.07277	0.7
150.96870	9.8
151.11191	6.0
155.97426	11.7
161.09618	32.1
161.13226	5.8
167.10674	0.8
173.98495	11.2
179.10677	100.0
179.14064	4.4
180.10143	0.9
197.11734	98.2
197.15453	2.9
198.18546	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	198.0763
Annotation	(S)-alapyridaine
Peak:m/z	Relative Intensity
50.08941	0.4
51.49108	0.4
55.01864	1.5
55.05262	0.5
55.05509	4.5
56.91765	0.3
57.07080	3.1
58.06587	0.7
58.71746	0.3
65.03934	0.4
67.05506	0.6
69.03425	0.8
69.07069	4.3
70.06577	0.5
70.25765	1.0
70.26115	0.6
70.95854	1.3
71.04984	0.4
71.08627	1.0
72.04520	0.6
72.08133	0.6
72.93784	0.6
79.05482	1.3
80.04968	0.5
81.03438	0.4
81.07045	1.5
82.06598	0.9
83.04979	0.7
83.08621	4.1
85.02911	2.2
86.06075	0.8
86.09675	0.5
93.07033	0.9
95.04947	0.5
95.08571	1.1
96.02117	0.5
96.04478	0.6
96.08129	0.7
97.02881	0.8
97.06519	0.9
97.10168	2.0
99.04444	0.5
100.07607	1.2
107.08589	0.5
109.05252	0.7
110.03659	0.7
110.06043	1.0
111.03204	2.5
111.04447	0.9
111.08070	0.6
111.21517	0.4
111.98471	0.6
112.03978	2.7
112.98744	0.9
114.05567	0.6
116.97226	2.4
121.10206	0.5
124.03936	1.2
124.07567	0.9
125.06029	0.8
126.05524	8.2
127.03919	0.5
131.99541	0.7
132.95830	2.0
133.96034	1.7
134.06006	0.6
134.95911	0.5
137.04733	3.0
138.05458	1.1
138.12878	0.4
140.06958	0.5
145.04973	1.1
150.96895	1.5
151.97057	0.9
152.03447	2.8
152.07066	4.1
152.96904	1.0
154.04997	3.9
155.05789	8.2
155.97409	0.8
156.97717	1.7
157.97520	0.7
162.05498	0.7
166.04987	0.7
167.05716	1.0
170.08131	36.0
173.98465	0.8
174.98819	2.8
175.98531	2.5
180.06511	3.4
198.07625	68.0
198.18536	100.0
206.23366	0.4
216.18813	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88932	9.6
55.23813	9.9
57.03430	26.1
61.02931	14.6
69.03446	12.7
69.07047	14.9
70.06601	15.6
70.99879	15.3
71.02544	15.9
73.01414	10.6
73.02928	27.2
81.07053	19.4
82.01441	15.3
84.04512	33.2
85.02917	22.5
86.06068	33.6
87.04471	27.3
88.85117	9.4
91.02445	11.3
97.02937	12.3
97.06538	23.5
100.02525	25.4
102.05527	10.3
114.09172	22.0
119.01897	20.3
126.98788	45.6
144.01875	10.1
144.99843	45.3
150.00368	13.5
168.01443	100.0
172.09593	10.8
177.02495	83.2
187.02728	9.8
200.04175	69.9
200.09201	33.7
200.12790	74.0
215.77065	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	200.1283
Annotation	N-Hexanoyl-L-homoserine lactone
Peak:m/z	Relative Intensity
55.01863	4.7
55.05504	5.2
56.05036	7.8
56.96558	3.9
57.03437	31.7
61.02922	3.3
64.99332	1.5
67.05500	4.1
68.05029	3.6
69.03436	12.4
69.07072	21.8
70.06591	17.7
70.55394	3.3
70.99853	5.6
71.04996	3.2
73.02923	7.7
79.05494	9.5
80.05068	1.7
81.03422	2.8
81.07067	20.8
82.01427	7.4
82.06564	4.0
82.63064	1.4
84.04510	26.7
84.08144	3.9
85.02914	12.7
86.06070	68.5
86.09711	12.1
87.04472	88.4
89.00802	1.6
91.02438	1.9
95.06032	1.4
95.08611	5.4
96.08153	7.8
97.02867	4.8
97.06536	66.5
98.06071	3.0
98.09690	7.0
98.97588	47.5
99.04499	1.4
99.08102	28.6
100.02486	8.1
100.07657	2.6
101.00864	8.3
102.00940	3.7
102.02238	1.8
102.05547	13.2
103.00681	1.8
104.07121	13.7
108.08070	1.9
110.01244	2.6
110.06031	1.5
110.09669	4.7
110.97556	3.9
112.07626	9.0
113.00884	8.7
113.01624	2.1
114.09172	44.5
116.10732	3.9
116.97244	1.8
116.98608	20.2
118.03481	3.5
118.96768	1.6
119.01898	17.5
120.01996	4.8
120.08091	1.6
124.07593	3.2
126.09130	4.6
126.98775	6.5
127.03925	2.4
128.02333	1.7
128.07063	5.8
131.01915	23.0
133.03496	3.1
134.99678	4.1
135.95711	2.0
137.05974	4.2
138.09160	13.5
142.08606	12.9
143.01918	1.7
144.99849	8.1
146.02328	2.2
149.02957	6.5
154.03500	16.1
154.08640	9.1
154.12283	7.5
156.05098	5.7
156.10188	15.8
157.10995	3.6
158.08115	3.0
158.99664	3.2
159.01405	6.2
160.04590	2.0
161.02869	4.4
168.01431	14.0
170.03381	1.8
172.04593	3.9
172.09708	5.7
172.13321	1.8
173.02925	2.7
175.98624	2.2
177.00757	4.1
177.02425	26.6
182.02992	13.4
182.08130	2.6
182.11731	9.2
191.03972	5.0
195.03578	5.1
200.04034	32.2
200.12827	100.0
201.02440	3.3
218.04996	6.8
219.03519	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	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.01877	1.2
55.05498	2.7
57.03427	1.7
59.93107	0.9
67.05495	4.5
69.03421	2.4
69.07062	1.8
70.02950	1.2
71.52534	1.4
71.82685	0.7
79.05482	3.4
81.07056	8.4
83.05000	0.8
83.08609	0.9
85.02891	0.8
85.06531	1.2
86.09687	1.3
91.05473	7.5
93.07056	4.4
95.04967	2.7
95.08591	3.1
98.97604	4.7
100.03964	1.0
101.51102	0.7
105.07037	5.8
107.08626	1.5
109.06518	2.1
109.10147	2.3
113.06052	1.0
113.09556	0.8
114.05540	1.1
115.05514	1.6
116.98616	1.8
117.06994	4.2
118.96762	14.9
119.08578	16.8
121.06505	3.3
121.10168	0.8
123.08089	0.9
123.11707	3.2
127.03921	3.5
128.06204	2.7
129.06984	7.0
130.07764	1.9
131.08572	29.6
133.10130	31.0
133.11110	1.8
133.99098	3.5
134.99605	1.0
136.95459	2.0
137.06010	1.6
137.09572	2.0
141.06982	1.3
141.09157	0.9
141.12743	0.9
141.98421	0.9
142.07774	3.4
143.08560	24.2
144.05667	0.8
144.09355	6.0
145.06480	3.1
145.10132	25.6
150.95711	1.3
153.07010	2.3
154.96442	3.1
155.08556	3.2
157.06519	0.8
157.10139	5.3
158.07266	2.9
158.10915	34.8
158.99646	1.3
159.08055	11.3
159.11685	9.6
159.97034	1.6
160.08783	1.0
161.03026	1.0
161.09590	1.5
165.05516	1.0
168.09306	2.0
171.08051	8.4
171.11717	3.0
172.08842	12.3
173.05943	1.1
173.09665	14.8
173.13266	100.0
177.00682	0.9
177.98082	12.2
183.06485	1.1
183.11729	5.2
185.09610	1.6
186.10403	36.4
201.05434	2.7
201.09067	3.3
201.12752	96.7
201.16437	3.6
202.13177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99339	0.8
70.41518	2.9
97.53237	0.8
98.20776	0.8
101.00887	1.2
112.11753	0.8
138.03375	1.0
193.15746	1.0
198.41556	1.0
203.05283	100.0
211.86484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98802	0.3
52.18061	0.3
53.03946	0.4
55.05505	1.4
55.93531	0.4
56.96568	0.5
57.03442	0.8
59.04982	0.6
60.04531	2.2
65.03926	0.5
67.05510	2.6
68.05033	0.6
69.03423	1.3
69.07078	1.7
70.06602	0.3
70.52367	0.6
71.05016	1.5
72.08154	0.3
79.05513	1.9
81.07076	1.7
83.04982	0.9
84.04500	0.5
84.08144	1.4
85.02895	0.6
86.09709	4.1
87.04465	1.2
91.05487	4.0
93.07050	2.7
95.04955	0.3
95.08627	2.4
96.04483	0.7
97.02899	1.2
97.06532	0.6
98.97549	0.8
99.04482	0.5
99.08077	0.4
101.06010	0.6
105.07039	18.6
107.08588	0.4
109.02856	0.4
111.04425	0.5
113.96378	0.4
114.05520	0.7
115.03945	0.8
115.05457	2.0
116.06206	0.7
116.98641	0.5
117.07027	19.1
119.01875	0.5
119.08610	4.4
120.96508	1.7
121.06543	0.3
121.10161	2.8
123.08090	0.3
126.05515	0.6
128.04965	0.3
128.06233	1.1
129.05540	0.6
129.07010	8.9
130.07813	2.1
131.08580	16.2
132.10182	0.9
133.10147	0.9
135.98849	0.4
138.95129	0.5
139.11183	2.0
141.06982	2.0
142.07790	26.5
143.08557	2.2
144.09354	10.0
145.06540	0.7
147.04437	1.0
147.08063	0.9
147.11708	1.0
148.97720	0.9
149.09607	0.4
156.96255	0.6
157.10141	100.0
158.10445	0.7
159.11702	35.6
161.05920	0.5
161.09622	0.9
168.03688	0.4
169.07680	0.6
171.55515	0.7
175.07605	0.5
175.11203	5.4
179.97775	1.8
180.56055	0.4
185.09621	3.2
188.04745	0.4
203.03471	0.6
203.05241	1.4
203.07074	1.8
203.10677	8.9
203.14432	0.9
204.08656	0.6
204.10329	0.5
204.58391	0.3
210.84862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	4'-Hydroxy-3'-prenylacetophenone
Peak:m/z	Relative Intensity
53.03939	2.6
55.01872	1.9
55.05503	3.5
56.96563	0.9
57.03427	1.5
57.07077	5.2
60.04515	3.2
63.92926	1.7
65.03931	2.0
67.05491	2.9
69.03435	16.4
69.05381	1.0
69.07067	3.3
69.38937	1.3
69.39342	4.9
71.04991	3.8
74.68532	0.7
78.95283	10.4
79.05499	5.4
80.17825	0.7
81.03426	5.1
81.07039	4.9
81.93978	1.5
83.04973	2.8
85.02905	6.3
87.04462	1.0
91.05476	10.7
93.07049	11.3
95.04970	4.7
95.08617	3.8
97.02905	13.5
97.06532	2.3
98.97580	0.9
99.04449	4.0
103.05456	2.8
105.07040	47.6
107.04991	1.8
107.08591	11.3
109.02885	9.0
109.06552	3.6
111.04412	1.2
115.05415	5.0
116.14951	0.9
117.07021	11.9
118.06551	1.3
119.08589	33.4
119.97896	11.3
120.08142	1.8
121.02895	4.7
121.06519	12.5
121.10154	6.1
122.94215	4.8
123.08057	8.6
123.11658	1.0
127.03931	5.6
127.05882	1.0
128.06236	1.3
129.07010	6.5
130.06512	1.0
130.07782	4.1
131.04909	1.8
131.08577	11.8
133.06456	2.0
133.10152	7.3
135.04451	2.1
135.08078	11.6
135.11681	5.0
136.08833	1.3
137.06041	1.1
140.95251	7.4
141.07007	1.0
142.07774	1.2
143.05013	1.7
143.08589	2.2
144.09349	12.0
145.06448	4.6
145.09058	1.3
145.10141	16.5
146.06036	1.9
147.08060	13.4
149.02357	34.8
149.05988	17.0
149.09604	2.2
149.13361	1.3
155.05885	0.9
157.10114	2.1
158.07335	1.1
158.96335	7.7
159.04425	2.6
159.08118	4.5
159.11702	74.4
160.07584	1.3
161.05963	4.2
161.09657	8.8
161.13295	3.8
162.10423	1.2
163.07538	9.1
163.11179	18.3
163.96864	13.9
169.10149	1.3
172.08818	4.1
173.06015	1.7
175.11177	1.6
176.11914	0.7
177.05629	0.8
177.12750	12.7
181.97916	16.6
187.03914	2.7
187.07562	1.2
187.11217	10.8
188.07115	2.4
204.99500	1.1
205.04916	2.5
205.06708	1.5
205.08871	4.7
205.12253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03949	0.6
55.05503	2.2
56.96552	1.0
57.03429	1.2
57.07077	3.6
60.04520	1.6
63.92950	0.8
65.03916	0.9
67.05507	3.6
69.03413	2.6
69.07069	2.9
71.04996	18.6
71.25098	0.6
71.25419	0.6
78.95264	2.5
79.05509	3.1
79.62683	0.5
81.03408	2.4
81.07071	9.5
83.05011	0.7
83.61963	0.6
84.04525	1.1
85.02898	2.5
85.04861	0.8
85.06522	1.0
86.58568	0.6
87.04453	1.1
91.05492	7.7
93.07046	9.5
95.04957	3.2
95.08621	12.2
97.02899	9.7
97.06515	1.4
99.04456	1.3
99.08070	1.3
105.07040	31.6
107.08603	10.4
109.02882	5.3
109.06525	2.9
109.10170	2.3
111.08061	3.7
113.09653	11.2
113.96427	1.0
117.07012	2.9
119.08582	12.7
119.97899	4.0
121.02896	2.9
121.03862	0.6
121.06519	2.0
121.10159	14.0
122.94212	1.1
123.08104	0.7
127.03897	2.2
127.05846	1.9
130.07806	0.7
131.08574	11.3
133.10117	2.8
135.08049	1.8
135.11705	2.3
137.09608	0.7
139.03955	0.9
140.95227	1.7
143.08655	0.9
144.09264	0.6
145.10135	22.1
147.07950	0.9
147.11702	32.8
149.01176	1.2
149.02359	25.3
149.09604	2.0
149.13194	1.1
152.21463	0.6
158.96312	2.4
159.04581	0.8
159.08084	0.9
159.11700	6.6
161.13310	6.5
163.11177	4.9
163.14796	3.1
163.96864	3.8
177.12756	2.3
177.16273	0.8
181.97931	5.4
187.06018	0.8
187.07721	0.7
187.11217	1.3
187.14842	33.3
204.99583	1.2
205.08798	2.0
205.12271	4.2
205.15887	100.0
215.13982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.6
55.05506	7.5
56.05021	3.4
57.03441	20.7
58.06593	6.4
58.68228	2.3
59.04991	5.7
60.04535	14.7
61.02930	37.0
63.92938	4.0
65.92652	2.9
67.05518	3.1
68.05031	5.0
68.98272	2.6
69.03429	24.2
69.07074	4.5
70.02950	7.5
70.03735	2.8
70.06580	5.4
71.01352	5.9
71.04991	24.2
71.51312	2.8
72.04525	27.8
72.08139	2.2
73.02924	67.9
74.02431	4.2
74.03255	5.8
75.04490	2.3
76.03993	6.5
78.95293	12.5
79.05527	2.7
80.94969	12.9
81.03404	11.5
81.07059	3.2
82.01408	3.4
82.06580	3.5
82.99857	3.2
83.04970	7.6
84.08148	7.2
85.02433	3.6
85.02908	40.9
85.06541	6.2
86.03219	3.3
86.06065	5.5
86.09716	2.9
87.04456	7.0
89.06039	13.7
90.05560	100.0
91.02430	2.3
93.07017	3.6
95.01320	4.9
97.02889	27.4
97.06524	4.8
98.02412	19.0
98.03067	3.3
98.06043	4.8
98.09692	5.5
99.04450	12.4
100.03971	12.5
100.07615	6.6
101.00882	40.0
101.02396	6.7
101.06010	2.8
102.00976	5.2
102.02396	4.8
103.00636	8.6
103.02402	2.4
103.03938	6.5
108.02451	2.9
109.01411	2.6
109.02852	6.0
109.64632	2.3
110.02153	4.2
110.03209	2.9
110.06023	8.1
111.02914	4.7
112.02842	2.3
113.00874	8.8
114.05553	5.3
115.00624	2.5
115.02415	8.7
115.51471	2.9
116.02626	4.4
116.03450	12.7
116.07115	8.0
117.02043	3.5
117.02914	7.1
117.03822	2.1
119.01919	55.5
119.97919	6.1
120.02023	10.4
120.98224	4.5
121.01679	14.5
121.97557	10.6
122.94172	2.5
123.02944	3.2
123.96451	2.9
124.02522	5.3
124.11179	3.6
124.93856	4.9
125.02655	8.8
126.03461	3.2
126.05447	2.6
126.09161	4.6
127.02410	2.5
127.03940	14.4
128.02380	6.4
128.03375	2.6
128.04263	3.0
128.07077	25.0
128.10690	5.3
129.03918	2.7
131.01868	15.9
132.02016	8.2
132.03407	2.3
133.01634	7.3
133.03488	14.6
134.03531	6.7
135.03149	4.2
135.08038	2.7
137.02817	8.2
139.02403	9.1
140.03111	6.5
140.07053	7.7
140.95291	5.0
142.01884	3.2
142.03502	65.2
142.08643	5.1
142.12283	6.8
142.94923	3.8
143.01886	9.9
144.02087	4.0
144.10194	15.2
145.01573	6.0
145.03459	9.0
146.03279	5.4
146.08115	19.3
147.03181	5.5
148.07549	2.7
150.02693	4.6
151.02408	3.5
152.03191	2.7
153.54108	3.3
154.02815	5.7
154.53053	4.3
155.03767	11.3
157.01587	6.7
157.03571	3.5
158.03398	3.9
158.96330	4.6
159.96706	4.2
160.01685	3.5
160.03090	4.7
160.04535	23.3
160.09691	17.6
160.13329	9.6
160.53061	3.7
160.96033	7.3
161.02831	20.0
162.03098	4.9
163.02678	6.9
163.96857	8.9
164.97182	10.3
165.96506	13.7
166.02980	4.6
166.53014	4.3
167.03844	4.2
169.01797	2.8
170.08125	18.7
170.11798	5.3
171.01352	11.8
173.03011	14.6
174.03214	5.0
174.11290	8.6
175.03380	4.3
176.03250	3.6
177.02409	5.2
179.03831	2.8
181.97902	6.4
182.98193	10.0
183.01501	4.2
183.03249	4.1
183.97543	15.8
184.04494	5.9
185.02971	7.0
186.03099	4.4
187.00903	4.8
187.02672	5.1
188.07483	4.3
188.09187	80.0
188.12791	12.1
189.00841	4.7
189.02463	16.2
190.02538	4.4
191.04047	5.6
191.14299	5.2
196.56453	2.8
200.01068	3.3
201.00670	4.0
201.02417	9.0
201.04163	3.8
203.04025	11.1
206.06033	3.5
206.08545	2.3
206.10304	35.0
206.12137	5.4
206.13745	22.1
206.15532	4.8
207.03345	2.6
218.02000	3.1
219.03526	3.4
221.05215	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	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84034	10.7
73.46307	2.4
74.04535	2.3
82.99835	5.1
101.00900	34.9
102.00922	4.8
103.00636	6.5
119.01933	59.6
120.02038	7.0
121.01711	9.8
121.97607	2.2
124.02476	7.8
137.02934	6.5
142.03516	100.0
142.04639	5.1
143.03595	5.7
144.03270	11.2
147.70673	2.5
159.98112	2.0
160.04546	16.0
165.05101	4.1
179.00626	4.0
179.98705	3.8
184.04584	2.3
188.99170	7.9
191.49496	13.8
191.64929	2.5
191.99533	5.3
193.83475	2.6
200.49968	22.8
201.00082	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	207.1017
Annotation	Narchinol A
Peak:m/z	Relative Intensity
51.02382	0.7
53.03949	12.2
55.01872	8.8
55.05509	5.0
55.86787	0.4
57.03433	0.8
57.07061	0.4
65.03941	1.4
65.92627	0.4
67.05505	16.9
69.03436	3.3
69.07072	9.1
69.07403	0.3
69.15189	3.3
69.33412	0.3
71.01364	0.7
71.04984	4.2
71.43359	0.4
73.02921	0.7
77.03918	0.5
79.01840	0.5
79.05493	13.0
80.94975	0.9
81.03421	16.7
81.07057	7.5
83.01366	2.0
83.04987	2.3
83.08620	6.4
85.02905	0.6
85.06542	1.4
91.05484	22.7
93.03418	0.6
93.07050	10.6
95.01330	0.7
95.04971	8.2
95.08611	10.6
97.02894	11.1
97.03523	0.5
97.06554	3.2
99.00831	2.9
99.04424	0.5
99.08094	1.2
103.05479	1.6
105.03395	1.0
105.07035	17.9
107.04960	29.2
107.08602	3.2
109.02883	100.0
109.06503	1.8
109.10175	1.8
111.04441	1.8
111.08080	6.9
111.08790	0.6
113.06004	0.4
115.05447	2.8
115.96436	1.7
116.97218	0.4
117.07018	7.3
119.04956	3.2
119.08582	7.3
121.02847	1.8
121.06503	3.8
121.10141	1.2
121.97599	1.3
123.04428	6.9
123.08080	1.8
123.11724	0.4
125.02348	0.6
128.06218	5.6
129.06993	2.5
131.08588	2.5
132.05669	0.5
133.06519	4.2
133.10138	17.4
133.97461	0.5
135.04434	0.6
135.08043	0.8
137.05981	0.9
137.09657	0.8
139.03911	0.4
139.07513	0.7
142.94885	0.4
143.08568	10.9
145.06485	5.0
145.10150	0.8
146.07277	1.5
147.04404	3.1
147.08047	2.7
147.11673	2.9
149.09636	1.6
151.07558	1.1
151.11188	1.2
152.06335	0.4
153.06987	2.7
155.06018	0.6
160.96025	0.7
161.06015	1.4
161.09621	22.0
161.13297	0.8
163.07628	0.5
163.11168	0.6
165.12767	1.2
165.96564	1.5
167.05658	0.4
170.15508	0.4
171.08064	9.5
171.09508	0.5
171.37878	0.3
174.03191	0.5
175.03816	0.4
179.10680	5.9
183.97607	1.5
189.09109	14.7
189.12762	1.6
189.16389	0.7
207.06560	1.3
207.08214	0.8
207.10155	6.5
207.13730	3.4
207.17487	1.2
213.31783	0.4
221.41495	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.01217	1.8
55.05506	8.7
57.03438	15.9
60.37551	2.0
64.73061	1.9
66.87392	1.9
67.05496	8.1
69.03416	8.0
69.07067	7.1
69.82856	8.9
71.04977	3.3
79.05492	6.9
81.07056	9.4
83.04970	4.3
83.08640	1.8
91.05481	25.2
93.07059	20.5
95.04986	4.6
95.08618	11.5
97.06554	2.2
99.04440	2.8
105.07037	47.1
107.08602	28.1
109.06503	6.6
109.10149	13.0
111.08092	3.6
115.05437	2.2
117.07021	6.8
119.04977	5.0
119.08595	39.3
121.06491	5.4
121.10155	36.7
121.97598	2.2
123.08065	8.8
123.11716	10.3
129.06990	4.7
130.07805	3.8
131.08565	20.6
133.10136	35.3
135.08054	6.0
137.09644	4.9
143.08571	6.1
144.09341	6.0
145.10141	8.2
147.04419	4.3
147.08047	5.5
147.11696	18.6
149.09636	16.1
151.11217	2.3
156.09294	3.8
159.11710	41.1
161.09674	2.6
161.13260	27.6
163.11171	13.8
165.09164	5.0
165.12784	12.9
171.11688	6.3
175.03876	7.1
179.08971	2.9
189.12750	76.9
189.14450	3.9
207.06491	6.9
207.08403	3.9
207.13817	100.0
215.70076	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05507	4.6
57.07072	4.5
59.04998	1.6
67.05507	28.3
69.03437	3.5
69.07076	2.3
70.86204	0.9
70.86533	1.8
71.04999	1.8
77.03901	0.7
78.95090	0.9
79.05502	4.5
81.07063	6.5
83.04977	2.6
85.06544	8.6
91.05477	6.8
93.07049	11.7
95.04977	3.0
95.08613	100.0
97.06519	1.9
98.13310	0.8
105.07036	14.9
107.08601	17.5
109.06503	4.7
109.10162	3.0
111.08068	1.4
113.05991	6.2
116.06206	1.2
117.06995	1.0
119.04971	1.0
119.08588	20.0
120.09402	1.0
121.06529	3.3
121.10151	14.6
123.08076	45.8
123.11711	5.3
125.09630	1.1
129.07002	0.7
130.89021	0.9
131.08594	4.6
132.33823	0.8
133.06517	2.2
133.10152	5.7
135.08105	1.3
135.11708	5.1
136.64862	0.8
137.09602	4.8
137.13254	1.5
139.07521	0.8
143.08589	0.8
145.10124	2.6
147.08035	4.7
147.11702	11.5
149.09625	47.1
151.07433	1.1
151.14778	4.2
156.09352	2.1
159.08115	0.8
159.11559	0.7
160.08824	1.1
161.09621	1.7
161.13281	15.3
163.11201	2.2
165.09128	1.2
165.12762	10.4
166.50105	0.8
171.11644	3.9
174.10402	3.0
179.14297	2.8
189.12749	18.0
207.13792	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03946	6.0
55.01878	1.2
55.05515	8.5
59.14997	0.6
67.05508	28.2
69.07075	6.8
69.90190	4.1
71.04983	1.4
73.06544	1.4
77.03932	1.9
79.05496	52.2
79.83816	0.8
81.03423	1.5
81.07059	22.2
81.96829	0.7
83.04991	3.1
83.08609	3.6
85.06544	2.1
87.04464	1.0
91.05486	46.2
92.96818	0.8
93.07047	100.0
94.07416	0.7
95.04973	10.5
95.08624	10.7
97.06525	1.4
97.10163	2.2
98.83497	0.7
99.59217	0.7
105.04532	3.6
105.07031	25.6
107.04900	1.0
107.08600	11.0
109.06537	4.5
109.10143	1.4
111.08104	1.1
117.07037	4.6
119.08592	13.8
121.06498	2.4
121.10157	2.2
123.08060	3.1
127.07601	0.8
128.06290	1.1
129.07013	11.0
131.08586	1.7
133.02515	0.8
133.10094	4.8
141.09090	0.9
143.08556	5.5
145.10124	8.9
145.32732	0.8
147.08067	1.6
147.11690	46.6
161.09680	3.7
161.13257	9.0
171.10278	1.5
171.11696	25.5
171.25981	0.7
189.12750	13.0
207.13817	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.36116	0.9
55.05498	3.4
57.07069	3.5
59.04996	1.8
67.05511	15.7
69.03424	6.3
69.07057	3.3
69.42393	7.8
71.04985	3.7
77.03954	1.1
79.05478	4.7
81.07066	4.8
83.04977	4.4
85.06557	5.0
91.05486	8.8
91.39077	0.9
93.07043	13.6
95.04981	2.6
95.08615	58.1
97.06494	1.9
99.04484	1.0
103.05466	1.1
105.07037	17.2
107.08598	17.7
109.06556	6.8
109.10198	2.5
111.08066	1.4
112.25237	1.1
113.05995	4.5
115.05480	1.1
117.06977	1.4
119.04931	1.9
119.08585	22.9
121.06503	4.3
121.10150	17.1
123.08076	42.1
123.11697	5.1
128.06221	1.2
129.07011	1.3
131.08572	3.7
131.49359	1.0
133.06509	2.4
133.10146	6.7
135.08080	1.6
135.11696	3.5
137.09615	4.8
142.94853	1.0
143.08563	3.8
145.10147	3.3
147.08043	5.3
147.11682	12.1
149.09633	100.0
151.07538	3.4
151.14813	1.7
156.09328	3.4
159.08031	1.2
160.08887	1.4
161.09621	3.6
161.13269	21.4
163.11148	6.0
165.09148	1.8
165.12799	9.9
165.96645	1.1
171.11737	7.8
174.10364	3.5
179.14336	1.5
183.97609	1.7
187.25012	1.0
189.12761	32.9
207.13811	72.9
208.14003	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03955	2.1
55.01872	1.8
55.05508	7.8
57.03428	1.4
57.07079	6.4
58.65715	1.3
59.05005	1.9
59.64773	1.5
65.03937	2.8
67.05178	2.2
67.05509	28.4
69.03432	8.8
69.07076	3.7
70.69154	4.1
71.04987	3.0
71.12163	1.3
71.89965	1.2
79.05497	9.2
80.94955	2.2
81.07067	9.5
83.04967	4.0
85.02911	8.6
85.06535	14.1
91.05485	14.3
93.07040	12.3
95.04971	5.6
95.08611	100.0
97.06512	2.1
105.07035	23.4
107.08600	24.9
109.06516	6.6
109.10159	5.6
111.56174	1.9
113.06001	7.6
114.29579	1.5
117.06993	1.9
119.04949	4.0
119.08586	30.9
119.09377	2.8
121.06500	4.4
121.10154	20.7
121.97582	2.4
123.04466	3.6
123.08075	54.5
123.11713	7.9
125.09573	1.5
129.07007	3.2
131.08563	7.2
133.06512	3.5
133.10115	14.4
135.08046	3.8
135.11665	7.2
137.06021	1.4
137.09627	9.3
137.13240	1.4
143.08623	2.4
145.10117	3.0
147.04434	5.2
147.08057	9.3
147.11676	20.7
149.09625	52.3
151.07544	8.3
151.14856	5.1
156.09343	1.5
159.08177	1.4
159.11678	1.7
161.09654	6.9
161.13268	37.1
163.11230	4.0
164.04758	1.9
165.09084	2.6
165.12758	14.3
165.96558	4.3
171.11765	2.6
174.10464	4.4
175.04015	3.5
179.07018	2.0
179.14336	5.6
183.97665	3.7
189.12732	24.4
192.04105	2.6
195.01804	1.6
195.59846	1.4
207.06514	6.0
207.10379	2.1
207.13823	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03942	3.9
55.01862	5.3
55.05509	12.4
57.03425	4.4
57.07083	2.7
59.04992	6.1
65.03924	3.4
67.05508	28.0
69.03449	18.4
69.07063	8.9
70.38674	2.2
70.84478	3.7
71.04980	6.0
79.05484	13.6
80.94939	5.2
81.03408	4.8
81.07059	21.3
83.04974	13.1
85.02890	7.4
85.06520	7.2
86.26960	2.0
91.05488	28.8
93.07047	27.1
95.04977	16.1
95.08612	42.3
97.06516	5.9
103.05446	5.1
103.26949	2.3
105.07037	75.8
107.04957	6.4
107.07886	2.8
107.08601	37.0
107.10688	1.9
109.06518	38.5
109.10172	24.1
111.08057	6.7
113.06006	2.4
115.96456	4.1
117.07022	4.6
119.04956	13.8
119.08590	60.4
120.61608	2.2
121.06496	14.6
121.10165	27.9
121.97581	6.2
122.07279	3.9
123.04417	6.0
123.08072	50.2
123.11692	7.1
124.93837	2.3
125.06012	2.3
125.09666	2.7
128.06230	3.3
129.06985	6.0
131.08560	10.8
133.06480	8.9
133.10136	18.1
135.08026	10.4
135.11690	2.7
137.05997	2.6
137.09627	91.2
137.13298	3.0
139.07524	4.9
142.94962	3.1
143.08537	6.0
145.10158	6.9
146.03659	3.6
147.04413	9.5
147.08057	18.7
147.11705	37.6
149.02330	2.4
149.09634	82.8
151.07559	14.1
156.09360	10.4
159.11658	4.3
160.96059	5.1
161.05972	4.2
161.09648	12.2
161.13269	35.4
163.11200	14.3
165.09151	2.5
165.12752	12.4
165.96567	5.9
171.11679	11.4
174.10431	4.6
175.03879	7.7
176.08337	2.6
177.12764	4.5
179.07050	5.1
179.14377	5.1
183.97577	5.9
189.09131	2.5
189.12759	41.9
192.04213	3.8
207.06558	22.7
207.08437	3.5
207.10243	5.4
207.13806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.02381	1.0
53.03949	6.1
53.81909	0.5
54.29479	0.5
55.01861	1.1
55.05509	9.5
55.40682	0.5
57.03449	1.3
57.07078	1.1
59.33419	0.5
65.03945	1.1
67.05508	27.7
69.03436	0.6
69.07069	6.0
71.04982	1.9
73.06569	1.5
75.29439	0.5
77.03941	1.4
79.05495	49.8
80.94943	0.6
81.03418	1.5
81.07059	25.0
83.04987	2.6
83.08626	2.6
85.02894	0.9
85.06532	2.2
91.05482	49.5
93.07046	100.0
94.07372	0.9
95.04971	13.0
95.08607	10.8
97.06521	3.1
97.10158	1.4
99.08070	0.7
101.06006	1.3
105.04552	3.4
105.07036	26.2
107.04934	1.2
107.08595	10.8
109.06518	5.9
109.10161	1.8
111.08102	1.1
115.96432	2.1
117.07008	5.2
118.36526	0.5
119.04899	0.6
119.08585	15.5
121.06515	2.6
121.10156	2.9
123.08070	5.6
127.07561	1.5
128.06242	1.7
128.62172	0.6
129.07007	9.2
131.08585	1.4
132.85699	0.5
133.10147	6.3
135.08049	1.1
135.11684	0.8
141.54526	0.5
143.08574	6.3
145.10139	7.7
147.08020	2.4
147.11688	45.9
148.12009	0.7
149.09599	1.1
151.07562	1.0
161.09624	3.2
161.13260	9.5
163.03929	0.7
163.11241	0.6
165.12762	0.7
165.96461	0.7
171.11693	23.5
179.14258	1.3
189.12737	12.7
192.09424	1.1
207.06447	1.5
207.11720	2.0
207.13786	25.0
207.17030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.98845	1.1
53.03933	1.7
54.24088	0.8
55.01867	1.6
55.05512	7.8
57.03439	5.5
57.10306	0.9
62.19204	0.9
65.03938	1.2
65.92609	1.8
67.05514	7.2
69.03438	30.9
69.07069	5.0
71.04996	2.3
71.31728	1.7
75.02434	0.9
79.05495	7.9
80.94973	6.6
81.03419	7.2
81.07063	9.1
83.04990	5.3
83.08649	1.2
84.08138	1.7
85.02891	1.7
89.51646	0.9
91.05489	23.2
93.07053	16.5
95.04970	3.7
95.08615	7.4
97.06531	4.3
98.72971	0.8
99.04477	2.2
101.02410	1.3
103.05479	1.3
105.07034	32.5
107.04929	2.2
107.08611	17.1
109.06541	8.2
109.10144	5.8
111.04443	1.0
111.08064	1.6
115.05457	1.4
117.07030	6.0
119.04965	13.4
119.08592	30.6
121.06509	6.0
121.10146	19.7
121.97598	6.9
123.07206	1.8
123.08064	8.2
123.11694	4.7
124.93887	2.2
125.06046	1.2
125.09708	1.2
128.06209	3.7
129.07004	5.0
129.79414	0.9
130.07765	2.0
131.08582	13.3
133.06500	1.5
133.10138	18.3
135.08064	5.1
135.11717	1.9
137.05930	1.3
137.09625	3.8
142.07828	1.2
142.94949	4.3
143.08595	8.6
144.09340	2.9
145.10139	10.9
147.04401	9.5
147.08043	6.8
147.11696	16.6
149.02324	1.4
149.09633	17.4
151.07547	3.5
151.11081	1.7
156.09343	6.4
159.07991	1.4
159.11714	23.6
160.96028	3.6
161.09621	3.4
161.13278	19.8
163.11209	14.9
165.07788	1.1
165.09160	2.3
165.12782	10.6
165.96552	11.1
166.54361	0.9
171.11714	4.7
174.10439	1.2
175.03926	12.3
179.06982	1.2
179.14381	1.6
183.97591	9.1
189.09143	1.2
189.12761	37.8
192.04208	5.2
207.06488	13.4
207.13821	100.0
214.37762	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1745
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03941	4.6
55.01869	4.2
55.05508	12.7
56.96548	2.2
57.03423	1.7
57.07060	6.1
59.05003	3.8
65.03930	3.4
65.92632	3.3
67.00700	1.6
67.05509	18.9
69.03415	6.3
69.07072	20.1
69.43664	3.2
69.44071	8.9
71.04980	4.5
72.74278	1.7
79.05499	15.7
80.94964	5.4
81.03395	3.3
81.06602	2.2
81.07059	36.6
83.04978	4.4
83.08612	10.1
85.02903	3.6
85.06565	2.9
91.05483	41.2
93.07054	23.7
95.04949	9.0
95.08610	52.0
97.02867	2.6
97.06524	3.4
97.10163	1.7
99.04441	4.7
99.08077	3.9
103.05466	3.7
105.07035	63.2
107.04948	6.2
107.08600	51.4
109.02879	6.8
109.06525	11.9
109.10159	54.1
111.08071	3.9
115.05399	2.3
115.96404	7.8
117.06987	4.1
119.04996	10.3
119.05759	2.6
119.08590	69.2
121.06517	5.4
121.10155	19.2
121.97588	10.1
123.04405	3.5
123.08066	17.2
123.11686	14.1
124.93871	4.7
125.05992	2.1
125.09638	3.5
128.06178	3.1
129.07010	4.2
130.07806	2.1
131.04913	2.3
131.08565	9.7
133.06506	4.9
133.10132	66.7
133.97488	3.0
135.08040	2.9
135.11699	3.8
135.33647	1.6
137.05981	4.1
137.09592	13.4
142.94972	5.5
143.08548	7.6
145.10153	11.3
146.10924	3.0
147.04427	9.1
147.07982	6.8
147.11697	80.0
149.02347	4.0
149.09612	19.4
149.13300	11.4
151.07521	14.1
151.11209	8.2
156.09354	3.9
156.61424	1.7
159.11688	4.6
160.12480	2.0
160.96010	7.2
161.05936	2.8
161.09602	12.2
161.13255	37.0
161.14610	2.2
163.11197	3.9
163.14836	3.5
164.04694	4.4
165.05470	1.9
165.09045	2.6
165.12781	8.5
165.96590	13.2
171.11694	6.4
174.06535	1.8
174.14151	1.8
175.03899	7.0
179.07033	5.0
179.10710	4.5
183.97646	13.2
184.00101	1.9
189.05453	2.0
189.09138	5.4
189.12793	18.6
189.16389	100.0
192.04092	3.0
192.09357	2.8
192.14610	1.9
206.99133	2.5
207.02925	1.9
207.06516	25.7
207.08266	2.9
207.09991	10.6
207.11951	2.9
207.13808	41.1
207.17435	99.9
210.73160	1.7
214.97829	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	207.1746
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03940	1.6
55.05516	10.7
56.96568	5.8
57.07087	6.5
65.03945	1.4
65.92615	1.1
67.05510	13.8
69.03412	2.8
69.07072	14.1
71.04999	2.0
71.51548	0.9
79.05132	0.8
79.05496	9.4
80.94970	5.0
81.06600	1.6
81.07064	28.9
83.04990	1.9
83.08219	1.1
83.08627	11.6
85.02894	2.0
85.06554	1.3
91.05488	18.7
93.06509	0.9
93.07060	14.4
95.04974	4.5
95.08611	43.3
97.10179	2.8
99.04494	1.0
99.08085	2.8
100.53535	0.9
102.08941	0.9
102.20310	0.9
103.05447	1.5
105.07036	44.4
107.04955	1.3
107.08601	47.8
109.06503	3.9
109.10164	46.9
111.08072	1.0
115.96437	3.7
116.97250	1.8
117.07005	1.7
119.04945	3.0
119.08593	55.7
121.06484	1.5
121.09337	1.1
121.10159	15.7
121.97589	5.1
122.07294	1.1
123.04426	1.8
123.08092	7.5
123.11707	11.2
125.09642	2.4
126.03320	1.3
129.06985	2.6
131.08572	5.8
133.06535	1.4
133.10138	57.4
133.97456	3.2
135.03857	2.9
135.08110	1.1
135.11690	2.5
137.06044	0.9
137.09633	6.9
142.94966	2.5
145.10133	5.9
146.10904	3.1
146.54703	1.5
147.04405	2.5
147.08102	2.0
147.11699	56.9
149.02351	1.4
149.09657	4.5
149.13264	7.0
151.07535	3.9
151.11194	5.9
156.09299	1.3
159.11697	1.2
160.12480	2.0
160.95987	4.2
161.09613	2.8
161.13268	17.1
163.11214	2.3
163.14815	2.9
165.09055	1.3
165.12778	6.2
165.96562	4.6
171.11681	1.5
174.14037	1.8
175.03920	1.3
179.17987	1.2
183.97603	6.8
189.12842	4.5
189.16394	100.0
190.16704	1.3
192.09276	1.5
206.99115	1.2
207.06476	6.8
207.09860	1.8
207.11858	2.0
207.13937	11.6
207.17453	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84407	3.5
55.01855	4.0
57.03428	6.7
58.99847	3.3
61.02948	3.2
65.65936	2.8
66.92757	3.6
69.03416	3.4
70.06582	7.3
73.02950	5.2
80.94957	6.6
81.03417	4.2
81.95071	8.9
82.94843	4.7
85.02901	5.4
88.10040	3.1
97.02889	2.8
100.02465	4.1
101.00893	5.6
104.10693	5.1
113.00880	8.6
113.03490	2.8
114.09186	9.9
115.02460	6.3
118.01067	2.6
119.01929	10.3
121.01753	2.8
121.23393	3.0
122.97711	13.7
123.97491	4.8
125.94010	6.4
126.93766	3.4
131.01927	14.5
132.09334	2.5
132.10211	17.2
133.03513	5.5
139.02426	5.5
139.52472	2.8
141.04054	3.7
143.01956	4.7
143.95074	12.2
144.02011	8.1
145.03502	9.2
146.11775	7.6
147.04999	3.1
149.02835	3.1
157.03514	21.5
161.02965	10.6
161.96147	6.8
162.03049	13.6
166.96693	19.8
167.01888	15.4
167.03729	3.2
167.96448	7.5
175.04451	3.2
175.82899	2.7
183.97733	2.7
184.04556	3.2
184.97723	21.0
185.02963	100.0
185.04678	22.7
185.97374	4.4
189.03615	3.1
203.03963	23.6
208.01413	42.8
208.04472	33.5
208.06145	3.5
208.15460	10.4
226.05640	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	209.1174
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.02372	0.6
53.03951	6.1
55.01875	17.1
55.05513	35.1
56.96579	0.6
57.03442	4.9
57.07075	2.7
57.90025	0.6
59.04998	1.1
61.39932	0.6
65.03935	4.2
67.05507	47.5
69.03437	4.3
69.07070	22.9
69.95956	3.1
71.04990	6.5
73.02921	4.1
74.99557	0.6
77.03922	1.0
79.05497	69.4
81.03429	7.8
81.07061	49.8
82.94832	0.8
83.01343	1.3
83.04982	10.3
83.08624	21.4
85.02912	1.0
85.06532	0.8
86.59030	0.6
91.05485	24.3
93.03402	1.6
93.07048	88.6
94.07329	0.6
95.04969	17.3
95.08611	100.0
97.02895	9.5
97.06535	9.1
97.10186	1.7
99.04458	11.6
99.08113	1.4
103.05483	3.9
105.03382	0.7
105.04530	2.0
105.07037	20.4
107.04219	0.7
107.04962	23.6
107.08599	62.4
109.06515	8.8
109.10172	5.6
111.04472	3.9
111.08064	2.9
113.06015	2.2
113.09627	1.2
115.05457	1.6
117.07024	23.2
119.08585	18.3
121.06516	14.9
121.10148	22.1
122.48215	0.9
123.08073	1.4
123.97462	0.9
125.05996	5.6
125.09642	1.4
129.07025	2.0
130.07816	5.8
131.04932	2.3
131.08592	2.1
133.10155	6.8
135.08083	7.0
135.11696	87.9
136.12022	0.7
139.07565	3.6
143.08583	2.5
145.00929	1.0
145.10129	54.5
149.09616	0.8
151.11198	0.7
153.09096	1.2
153.12756	1.8
154.03185	0.6
157.66422	0.6
163.02020	0.7
163.11185	80.5
164.11604	0.6
167.96452	1.2
173.09656	1.8
173.13303	1.0
177.05476	1.9
181.12195	5.3
185.97462	1.3
191.10631	1.2
191.14343	2.4
209.04353	0.8
209.07947	1.1
209.09793	1.1
209.11749	2.0
209.13441	1.0
209.15266	5.4
227.12782	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	209.1174
Annotation	Coronafacic acid
Peak:m/z	Relative Intensity
51.02362	1.9
53.03947	48.0
55.01872	27.3
55.05512	19.5
57.03428	7.2
57.07046	2.3
59.04993	2.5
60.65638	1.4
65.03934	6.3
67.05506	87.1
69.03432	8.7
69.07069	15.2
69.19946	5.8
69.20373	8.3
71.01346	1.6
71.04992	11.5
76.44285	1.4
79.05494	66.2
80.03538	1.3
81.03421	100.0
81.07057	71.3
82.94850	3.7
83.04984	34.6
83.08627	7.1
85.02923	2.3
85.06527	6.6
85.50196	1.4
87.04462	1.9
91.05481	42.6
93.03402	2.7
93.07046	60.7
95.04970	47.2
95.08597	18.4
97.02862	4.4
97.06537	19.9
98.20725	3.2
99.04465	5.3
99.08112	3.7
101.75266	1.5
103.05489	10.1
105.04502	2.9
105.07026	23.8
106.04169	6.6
107.04958	48.8
107.08593	37.6
109.02837	2.1
109.06519	31.8
109.10141	9.0
111.04439	28.1
111.08086	11.9
113.06024	1.8
115.05458	2.5
116.06228	1.7
117.07016	23.8
119.08591	21.0
121.06507	20.3
121.10146	55.0
122.07262	1.8
123.04411	4.0
123.08098	7.5
123.11693	3.0
123.97466	3.5
125.05976	5.7
125.09594	2.2
128.06200	1.4
129.07030	13.1
130.06796	1.5
130.07770	5.2
131.04941	13.1
131.08578	18.0
133.10129	22.7
135.04395	1.9
135.08101	11.8
135.11697	32.8
135.12727	2.6
137.09636	15.7
139.07504	2.1
143.08565	2.1
144.94865	2.3
145.06487	16.0
145.10127	49.2
147.08073	2.9
147.11690	3.0
149.05981	9.2
149.09625	26.3
149.13234	6.0
151.11153	4.4
153.05504	1.8
153.06973	2.4
153.09117	7.3
153.12744	9.0
155.06004	2.3
155.08556	18.7
158.07201	1.6
163.11182	45.5
163.14861	2.7
165.12794	18.7
167.14336	3.1
167.96419	5.5
173.09616	31.5
173.13274	5.3
177.05522	10.3
181.08597	2.2
181.12260	7.8
185.97444	6.1
187.07870	1.7
191.07034	2.2
191.10660	21.2
191.14354	8.0
209.04436	3.4
209.06377	2.1
209.08069	6.6
209.09666	4.8
209.11664	20.5
209.13487	1.6
209.15358	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.58844	0.9
53.03951	5.8
55.01873	14.2
55.05514	24.8
57.03437	6.6
57.07060	2.7
65.03935	3.0
67.05506	40.5
69.03431	21.4
69.07069	13.0
70.20767	1.7
70.21158	2.7
71.04998	8.7
73.02896	2.6
76.27338	1.0
77.03894	1.2
79.05495	60.9
81.03422	11.4
81.07058	41.5
83.04990	9.4
83.08619	12.8
83.28352	0.9
85.06544	9.4
87.04460	1.9
91.05483	23.5
93.03412	0.9
93.07047	74.9
95.04972	26.7
95.08611	55.6
97.02892	5.7
97.06529	8.8
98.20824	1.1
99.04466	14.4
103.05472	2.3
105.04572	1.0
105.07033	34.9
106.04174	1.4
107.04965	18.6
107.08597	93.0
108.88860	0.9
109.06521	23.8
109.10181	4.3
111.04424	3.6
111.08088	3.0
113.06013	3.1
115.03902	1.6
115.05431	1.2
117.07024	18.6
119.08582	20.1
121.06513	23.2
121.10145	23.4
123.08061	4.2
125.06000	5.2
125.09579	1.5
127.07533	0.9
129.06993	1.7
130.07788	4.7
131.04919	1.6
131.08577	4.9
133.10124	3.8
135.08060	14.2
135.11691	60.7
137.09567	1.2
139.07625	1.4
143.08549	2.3
145.06496	2.0
145.10127	54.1
147.08029	1.2
147.11722	2.7
149.05974	2.0
149.09615	7.9
151.11151	1.2
153.09126	2.8
153.12755	2.8
155.08524	2.6
163.11188	100.0
164.11514	1.1
167.10741	1.1
173.09628	9.4
173.13264	1.7
177.05417	1.4
181.12239	6.9
191.10670	18.6
191.14330	3.8
209.04390	1.3
209.11725	11.0
209.15356	4.3
227.12805	4.1
227.15013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
51.24414	1.5
53.03952	3.0
55.01870	3.4
55.05516	95.3
57.03431	1.6
59.04992	3.8
62.09546	1.5
67.05503	10.8
69.03423	6.6
69.07060	6.3
69.34197	12.2
69.34517	1.5
71.04985	4.3
77.96280	1.6
79.05486	5.0
81.07068	16.5
83.04985	97.5
83.08625	54.7
83.09122	2.6
85.06544	4.5
91.05474	2.7
93.07027	10.2
95.04977	18.1
95.08602	8.1
97.06522	7.2
97.10168	7.8
98.20799	2.8
99.04443	4.2
99.08072	2.7
105.07020	5.8
107.08611	19.2
109.06514	13.6
109.10155	31.3
111.08112	11.1
121.10140	12.3
123.08076	1.9
123.11703	13.7
125.09647	14.8
131.08533	2.2
133.10121	14.5
149.13248	9.9
151.11194	62.8
153.09138	9.5
163.11237	1.6
167.14328	100.0
173.13268	5.4
191.14317	5.9
209.15378	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.4
53.04732	1.2
55.01870	1.7
55.05513	33.7
56.85189	0.9
57.03423	1.8
57.07074	1.9
59.04989	2.1
60.17087	1.0
65.03943	1.5
67.05489	4.6
69.03426	2.7
69.07071	8.8
69.51188	6.8
71.04978	3.7
75.75628	0.9
79.05512	6.7
81.07054	8.0
82.94837	1.5
83.04988	27.9
83.08624	22.7
85.06527	1.1
91.05476	4.2
93.07053	30.6
95.04379	2.1
95.04975	39.0
95.08611	7.1
97.06525	5.7
97.10159	3.8
99.04459	8.5
103.05495	1.1
105.07041	5.2
107.08606	33.8
109.02888	1.1
109.06519	11.0
109.10162	14.5
111.08091	6.1
119.08584	4.4
121.06516	3.4
121.10152	100.0
123.11699	5.2
123.36987	1.0
123.97480	1.2
125.09621	5.9
131.04926	1.6
131.08601	2.0
132.26648	1.0
133.10141	6.4
135.08063	1.7
135.11676	3.8
145.10101	1.5
147.11746	1.3
149.05991	3.9
149.13258	2.8
151.11194	25.3
153.09120	13.5
155.85144	0.9
163.14816	19.9
163.16115	1.7
167.07085	1.2
167.14331	34.1
167.96451	2.7
173.13274	4.5
177.05469	2.8
185.97499	1.9
191.07091	1.1
191.14322	13.9
194.05737	1.5
209.08070	8.8
209.15376	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03935	2.4
55.01858	3.1
55.05516	85.9
55.45300	1.0
57.03440	2.7
57.07058	2.2
59.05012	5.4
66.01277	1.0
67.05511	10.7
69.03436	9.1
69.07082	6.2
70.46906	3.8
71.04991	2.6
79.05504	6.4
81.07068	18.2
83.04986	88.2
83.08624	48.1
85.06522	3.7
87.04450	1.1
91.05502	5.0
93.07050	11.6
95.04983	11.1
95.08617	8.1
96.05775	1.1
97.06545	15.2
97.10184	10.0
97.63536	1.0
99.04423	1.5
99.08107	2.4
102.41663	1.1
105.07053	6.8
107.04948	1.2
107.08601	24.7
109.05801	2.1
109.06525	31.7
109.10165	28.2
111.04433	1.3
111.08083	11.8
113.09623	2.9
119.08592	2.3
121.10153	15.0
123.08064	2.5
123.11716	15.2
125.05924	1.2
125.08785	1.4
125.09647	19.6
131.04906	1.2
131.08562	4.5
133.10147	17.4
135.08057	3.4
135.11678	1.4
137.09592	1.1
143.08522	1.4
145.10155	2.8
147.11653	2.3
149.09636	6.1
149.13258	10.7
151.11197	56.2
153.09093	10.3
163.11198	1.3
167.14326	100.0
172.23839	1.1
173.13281	7.5
191.10716	1.3
191.14304	8.7
209.04449	1.3
209.15381	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01856	0.9
55.05500	0.6
57.07078	3.9
59.04999	0.7
62.40625	0.4
65.54792	0.4
67.05513	3.1
69.03425	0.9
69.07072	2.0
70.96335	1.1
71.05006	2.7
79.05487	3.4
79.18494	0.4
81.07053	4.7
82.65875	0.4
83.04978	1.0
83.08587	0.5
91.05490	2.6
93.07060	3.8
95.04970	3.9
95.08608	4.6
97.06513	0.8
104.32647	0.4
105.07018	3.8
107.04938	0.6
107.08610	5.4
109.06521	100.0
109.10155	11.7
111.08086	1.0
115.05309	0.4
116.86221	0.4
117.07022	1.2
119.08579	1.4
121.06488	0.8
121.10130	2.2
123.08068	8.0
125.09709	0.5
131.08569	6.3
133.10146	2.4
135.08060	26.6
135.11674	0.9
136.94991	0.4
139.11188	0.8
143.08536	0.5
145.10155	1.6
147.08069	0.5
147.11679	1.5
149.09627	2.5
149.13290	1.0
150.10390	1.2
151.11165	1.7
153.09128	3.8
158.10925	1.1
161.09653	1.1
163.11211	0.6
163.14946	0.4
173.13248	5.4
173.14508	0.5
176.11961	0.5
191.14304	23.8
209.11835	0.4
209.15369	10.1
214.69728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03932	4.4
55.01860	4.5
55.05512	89.9
56.96558	1.4
57.03416	3.2
57.07055	3.1
59.04991	4.3
61.82631	1.1
67.05505	12.1
69.03426	7.4
69.07061	7.7
70.96004	2.9
71.04984	4.3
73.06578	1.0
79.05501	6.9
79.56411	1.2
81.03419	1.3
81.07053	17.1
82.94836	1.7
83.04983	96.8
83.08620	48.8
83.09123	2.3
85.06539	3.9
91.05471	7.9
93.03371	1.2
93.07041	15.7
95.04969	27.6
95.08611	11.4
97.06541	12.5
97.10161	9.0
99.04444	4.9
99.08050	1.3
103.05438	2.0
104.23712	1.3
105.07032	8.9
106.04156	2.7
107.04949	2.6
107.07883	1.8
107.08594	30.5
109.02878	1.1
109.06521	25.2
109.10162	32.0
111.04426	1.9
111.08084	12.7
112.08851	1.0
113.09637	3.9
115.81951	1.1
117.07043	2.5
119.08578	4.9
121.06505	7.5
121.10148	16.9
123.08043	4.0
123.11714	14.6
125.06062	1.2
125.09626	14.9
131.04932	1.8
131.08546	7.1
133.10141	19.8
135.08028	4.3
135.11708	2.3
137.09615	1.4
143.26361	1.3
144.94768	1.2
145.10118	4.4
147.11665	2.9
148.05183	2.3
149.05998	3.7
149.09625	4.1
149.13255	11.8
151.11183	53.4
152.04669	1.7
153.09093	13.3
163.07549	1.5
163.11182	2.9
163.14854	3.4
165.12729	1.5
167.07045	12.8
167.14319	100.0
167.96429	3.1
173.09676	1.2
173.13269	8.6
177.05402	3.3
185.97464	1.9
191.10637	1.6
191.14328	12.7
193.46313	1.1
209.08058	3.1
209.09871	1.7
209.11971	2.6
209.15367	56.5
211.07541	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	1.2
55.01878	4.1
55.05514	21.5
56.25568	0.3
57.03436	0.5
57.07077	3.2
59.05008	1.1
65.03957	0.3
67.05505	11.8
69.03455	0.6
69.07071	3.6
71.05015	0.7
79.05496	8.5
81.03415	0.5
81.07059	15.9
82.22852	0.4
83.04984	100.0
83.08630	3.8
85.06546	1.7
91.05492	4.2
93.07047	17.8
95.04478	0.4
95.04952	2.1
95.08606	14.9
97.06525	1.5
97.10173	1.6
98.21645	0.7
99.04431	0.4
99.08102	1.0
103.05488	1.3
105.07043	2.5
107.05009	0.8
107.07877	0.8
107.08595	14.0
107.09312	0.7
109.06521	1.6
109.10171	4.6
111.04459	0.7
111.08089	6.0
117.07026	1.4
117.96043	0.5
119.08586	1.4
121.06528	1.7
121.10147	9.3
123.08053	0.6
123.11708	1.8
125.09649	2.1
127.07572	0.5
131.04974	1.6
131.08580	2.6
133.10130	1.5
135.08089	3.2
135.11711	2.3
137.09630	0.8
139.07594	0.7
145.10155	1.3
147.11705	1.6
149.09644	1.4
149.13260	6.0
151.11224	0.5
153.09097	1.7
163.11171	1.0
163.14825	8.3
165.12753	0.7
166.07692	0.4
167.10728	0.4
167.14290	0.7
173.13280	3.4
177.05437	0.6
181.10268	0.3
181.15892	1.9
191.14313	5.2
193.12303	0.5
209.04414	0.8
209.06213	0.4
209.09657	1.2
209.13373	0.9
209.15359	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.00780	1.3
50.79311	1.1
53.03944	2.2
55.01857	4.1
55.05516	71.2
57.03428	3.8
57.07061	5.1
57.18219	1.2
58.60608	1.4
59.04994	4.9
67.05512	10.3
69.03423	5.9
69.07079	11.6
70.45858	4.4
71.04987	4.9
74.70686	1.1
78.26400	1.1
78.95728	1.2
79.05141	1.4
79.05497	15.4
81.03424	2.1
81.07063	16.6
82.94827	2.3
83.04988	60.2
83.08625	43.2
83.09120	1.9
85.06555	6.1
88.05272	1.1
91.05481	11.2
91.27238	1.4
92.11178	1.2
93.06484	2.2
93.07054	35.9
94.75593	1.3
95.04974	27.8
95.08609	11.0
97.06551	11.0
97.10157	8.1
99.04456	6.8
99.08094	2.8
99.41664	1.3
103.05479	2.1
105.07028	12.1
106.04153	2.6
107.04952	3.5
107.07880	2.5
107.08601	47.7
109.02861	1.3
109.06526	22.8
109.10165	25.5
111.04448	5.5
111.08092	8.6
112.08850	1.4
113.06033	1.4
113.09644	2.1
117.07002	2.7
119.08617	6.6
121.06505	4.5
121.10150	100.0
123.08064	5.7
123.11697	9.8
123.97446	4.6
125.06007	6.6
125.09641	12.6
131.04951	3.8
131.08588	6.7
133.10139	15.4
135.08038	5.4
135.11671	6.6
139.11221	2.0
143.08618	1.2
144.94861	1.6
145.10129	7.2
147.04362	1.5
149.05983	4.6
149.09659	5.9
149.13281	9.8
151.11194	44.3
153.05446	1.7
153.09096	13.4
162.95844	1.6
163.11224	6.7
163.14845	24.0
167.14326	69.0
167.96439	4.9
173.09651	1.9
173.13275	8.7
177.05479	5.3
181.08716	1.5
185.97459	3.9
191.10686	4.8
191.14305	15.3
194.00327	2.6
194.01990	1.3
209.02600	2.6
209.04453	2.8
209.07910	2.7
209.09772	2.4
209.11966	7.6
209.15375	59.1
225.89639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03936	0.6
55.01876	1.4
55.05511	6.1
56.96565	3.1
57.03440	2.9
57.05351	0.2
57.07082	0.4
59.04993	0.5
61.45741	0.2
65.03922	0.5
67.05505	5.2
69.03432	1.9
69.07068	2.2
69.52632	0.8
69.53065	0.8
71.04993	1.5
71.52417	0.2
73.02900	0.3
79.05495	5.6
79.55620	0.2
81.03418	14.9
81.07059	6.6
83.04980	7.4
83.08621	5.3
84.96023	0.7
85.02885	0.7
85.06530	1.0
91.05480	9.3
93.07045	7.4
95.04961	5.7
95.08614	4.4
97.02900	0.5
97.06554	1.5
97.10162	1.1
97.99191	0.9
99.04459	0.9
99.08094	1.0
103.05446	0.6
105.07033	9.0
107.04977	1.6
107.08591	5.1
109.06497	2.2
109.10153	3.1
110.97569	0.3
111.04431	0.6
111.08091	2.2
113.05981	0.3
115.05469	0.3
115.07569	0.6
116.00201	1.0
116.41370	0.2
117.07042	1.5
119.08582	100.0
120.08910	0.7
121.06509	0.8
121.10145	17.7
123.04449	0.4
123.08067	2.4
123.11710	1.1
125.06005	0.3
125.09595	1.2
128.53841	0.3
129.06985	1.8
129.86897	0.3
131.08565	2.7
133.06473	0.7
133.07545	0.5
133.10120	2.7
135.08055	0.3
135.11749	1.3
136.36359	0.3
137.05980	0.3
137.09619	2.0
137.13263	0.3
139.11189	1.1
142.07706	0.3
147.08052	10.4
147.11664	3.1
149.09644	2.1
149.13289	0.3
151.07532	0.6
151.11159	0.6
153.12698	0.3
155.08621	0.3
155.10698	0.3
157.10072	2.4
163.11259	0.2
165.09114	33.4
165.12791	0.9
167.07126	1.3
167.08310	0.2
167.10654	1.1
167.47206	0.2
169.04921	0.4
169.10098	0.3
175.07529	0.2
175.11185	3.1
175.14816	1.0
183.08057	0.3
193.08611	11.4
193.12244	8.2
193.15855	0.7
211.09659	17.2
211.12991	3.3
211.14857	0.5
211.16971	1.0
219.74121	0.3
221.19122	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.94603	1.2
53.03941	5.1
55.01868	4.3
55.05515	37.9
56.96563	1.6
57.03437	7.7
59.04990	1.9
67.05511	31.0
69.03439	8.5
69.07073	9.3
70.56368	3.7
71.01349	2.1
71.04995	3.6
79.05497	27.6
80.86483	1.1
81.03423	100.0
81.07061	36.7
83.04988	49.0
83.08624	33.0
85.06541	3.2
91.05492	32.9
93.07050	18.2
95.04979	32.4
95.08599	12.2
97.02899	3.6
97.06537	6.9
97.10188	5.9
99.08093	2.1
103.70476	1.0
105.06395	2.1
105.07037	23.5
107.04961	8.0
107.08614	9.2
109.06512	6.2
109.10155	2.4
111.04465	1.8
111.08073	15.1
115.05456	2.6
117.07003	1.7
119.08600	19.8
121.06479	1.5
121.10139	9.2
123.08051	2.4
123.11741	1.4
125.09639	2.7
129.07019	11.1
131.08565	14.8
133.06505	4.3
133.10152	13.9
137.09575	2.9
142.07803	2.4
145.10106	1.5
147.08055	4.2
147.11703	17.0
149.09636	7.2
149.95471	1.2
157.10147	17.6
163.11220	1.0
165.12772	3.9
175.11194	19.4
177.17868	1.1
193.12262	51.7
204.25725	1.1
211.13287	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03949	2.9
55.01875	8.4
55.05513	19.4
56.96565	6.0
57.03436	8.2
59.04987	1.9
65.03933	3.3
67.05508	82.2
69.03424	6.4
69.07070	15.3
71.04994	6.1
71.53615	2.2
73.06540	2.1
79.05500	23.5
81.03424	10.5
81.07059	70.6
83.04987	25.8
83.08624	4.1
85.06539	13.5
86.29885	2.0
91.05484	61.2
93.07053	28.4
95.04967	10.6
95.08620	14.3
97.02887	2.0
97.06522	5.9
97.99174	2.1
102.36995	1.8
105.07030	65.3
107.04973	3.9
107.08596	42.0
109.06521	9.4
109.10162	68.3
111.08025	1.9
117.07036	3.4
119.08606	16.9
121.10173	1.9
123.08128	1.9
123.11720	15.1
127.27946	1.7
131.08563	4.7
132.60150	1.7
133.06451	3.0
133.10136	100.0
133.60622	1.8
135.11737	2.7
143.08546	3.2
151.11197	39.6
157.10161	2.3
161.09599	8.6
169.10129	3.2
175.11214	4.6
179.10683	23.1
183.13695	2.0
193.12260	4.4
197.85074	2.1
205.38232	1.8
211.13153	4.2
211.14911	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.54275	1.0
53.03932	3.6
55.01858	5.4
55.05515	43.2
57.03437	7.9
59.04998	1.4
65.03918	1.6
67.05509	31.1
69.03432	9.8
69.07059	10.9
70.08482	2.2
70.08883	2.2
71.04983	5.3
73.06567	1.3
77.16229	1.3
79.05498	31.0
81.03421	100.0
81.06595	2.0
81.07060	36.3
83.04984	49.2
83.08620	37.6
85.06526	2.1
85.66475	1.2
91.05484	34.4
93.07048	19.6
93.91064	1.1
95.04972	32.5
95.08604	13.0
97.02888	4.9
97.06541	5.8
97.10164	8.8
98.00653	1.2
99.08130	2.1
105.07034	22.5
105.62255	1.1
107.04946	8.9
107.08591	9.4
109.06549	5.9
109.10152	2.2
111.04424	3.9
111.08079	15.9
115.05437	2.1
117.07027	2.4
119.08584	21.1
121.06519	2.2
121.10149	7.4
123.08065	4.7
125.09644	2.8
129.07005	11.9
131.08568	14.4
133.06491	3.6
133.10141	12.5
137.09622	2.9
142.07771	2.3
145.10121	1.6
147.08051	2.8
147.11691	15.7
149.09656	6.6
157.10149	20.1
165.12747	3.5
172.80460	1.2
175.11212	19.1
190.53156	1.2
193.12253	54.0
193.86536	1.6
211.13315	28.4
216.49263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03944	4.4
55.01865	5.3
55.05513	38.5
56.96565	17.0
57.03436	12.3
59.04984	1.4
65.03944	1.7
67.05506	36.6
69.03429	12.4
69.07071	12.4
71.01306	1.2
71.04992	7.7
73.02912	1.9
73.60672	1.2
73.83511	1.1
79.05494	33.3
81.03419	100.0
81.07057	44.2
83.04980	50.0
83.08624	36.1
84.96030	3.4
85.02910	2.7
85.06537	4.0
87.04482	1.7
91.05483	37.2
93.07049	22.8
95.04967	42.0
95.08609	19.7
97.02891	4.8
97.06547	6.6
97.10167	8.7
97.27619	1.0
97.99185	7.2
99.04449	1.7
99.08100	3.4
105.07033	28.6
107.04955	8.8
107.08598	12.6
109.02859	1.3
109.06516	10.0
109.10160	8.0
111.04419	4.1
111.08085	16.2
111.37584	1.1
113.06026	2.9
115.05450	2.2
116.00212	3.6
117.07013	3.0
119.08582	26.8
121.06491	3.0
121.10136	8.0
123.04466	1.7
123.08067	6.0
123.11706	4.9
125.05984	1.7
125.09638	2.7
127.07590	1.6
128.06155	1.4
129.07014	14.3
131.08556	14.3
133.06500	4.1
133.10136	16.8
135.08064	2.6
135.11705	4.3
137.05956	2.2
137.09615	5.0
139.01762	1.5
141.07007	1.5
142.07777	4.2
145.10054	2.4
147.08080	4.2
147.11693	19.0
149.09610	8.6
151.07471	1.4
151.11206	3.8
151.14926	1.4
155.08549	1.9
157.10146	16.8
165.12778	4.9
169.10152	1.4
175.11186	23.7
175.14845	3.4
179.07027	1.1
183.11636	2.2
193.12244	59.6
193.15929	3.7
197.04559	1.7
211.05734	1.2
211.07617	2.6
211.11212	1.7
211.13216	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	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02364	1.1
53.03941	4.9
53.76151	0.9
55.01871	4.7
55.05517	38.3
57.03433	8.2
65.03939	1.9
67.05508	27.0
69.03434	9.8
69.07079	9.8
69.73711	4.8
71.04995	4.6
71.21597	1.0
79.05499	30.9
81.03423	100.0
81.07059	35.0
81.07531	2.0
83.04986	52.2
83.08622	37.8
85.06552	3.7
91.05489	30.5
93.07047	17.8
93.50562	1.0
95.04974	34.1
95.08614	11.8
97.02877	4.1
97.06548	3.6
97.10176	9.2
97.43021	0.9
99.08088	2.7
105.07037	23.4
107.04974	6.0
107.08603	6.7
109.06539	5.1
109.10146	1.8
109.25577	1.1
111.04435	2.2
111.08092	16.3
113.06052	1.1
115.05431	1.6
117.06995	1.4
119.08578	16.6
121.06512	2.5
121.10168	10.9
123.08054	3.3
125.09632	1.7
129.07021	10.4
131.08582	13.0
133.06485	3.7
133.10132	10.9
137.09604	2.2
142.07788	3.5
145.10208	1.1
147.08025	3.9
147.11700	15.6
149.09624	7.6
157.10139	19.3
163.11171	1.4
165.12770	3.0
175.11203	19.0
188.13722	1.1
193.12259	61.6
211.13290	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03947	3.8
55.01866	5.9
55.05512	50.8
56.96569	9.1
57.03440	9.7
57.07073	6.3
59.04989	4.0
65.03947	2.4
67.05505	51.9
69.03432	18.0
69.07070	30.3
69.42246	7.7
71.04993	12.2
71.08630	1.6
73.02905	1.6
75.08695	1.2
79.05495	38.2
81.03419	100.0
81.07057	61.8
83.04983	64.9
83.08619	44.2
84.96050	1.7
85.02898	2.5
85.06553	8.5
91.05482	44.6
93.07043	30.8
95.04971	56.2
95.08610	54.2
97.02881	5.6
97.06551	7.8
97.10170	12.8
97.99166	3.4
98.97569	2.4
99.04449	2.5
99.08099	16.7
101.06009	1.6
103.05470	1.2
105.07035	35.3
107.04958	7.7
107.08594	30.4
109.02884	1.6
109.06514	14.9
109.10159	78.0
110.01326	0.9
110.97576	1.1
111.04433	3.6
111.08088	19.4
113.05991	2.5
113.09676	2.0
115.05440	1.6
116.00163	0.9
117.07047	2.4
119.04966	2.1
119.08585	57.1
121.06492	3.2
121.10154	23.2
123.04460	4.1
123.08073	20.3
123.11707	13.2
125.05978	1.8
125.09637	5.9
127.07593	1.1
127.11234	1.3
129.07008	14.9
131.08571	14.2
133.06491	4.0
133.10136	40.5
135.11693	51.9
137.05969	3.8
137.09628	31.4
137.10715	1.3
138.10443	1.4
139.07448	1.1
139.11188	1.3
141.05496	1.4
142.07787	2.5
145.10085	1.9
147.08035	4.6
147.11708	18.5
149.05995	1.3
149.09621	8.1
149.13275	7.0
151.03906	2.3
151.07547	2.5
151.11188	9.6
151.14827	11.2
153.12766	1.9
155.10663	3.1
157.10150	16.3
163.11176	1.9
163.14827	2.0
165.09116	4.1
165.12769	4.6
165.16411	2.4
165.96840	1.0
167.07027	2.9
175.11205	21.4
175.14827	27.7
179.06985	3.6
181.08543	1.3
193.07013	1.1
193.08594	3.6
193.10466	2.6
193.12253	53.0
193.15875	23.9
211.05943	3.1
211.07671	1.5
211.09683	1.7
211.13278	31.7
211.15240	1.7
211.16750	7.0
212.09177	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.8
55.01867	5.9
55.05516	51.1
56.96568	7.2
57.03439	12.6
57.07063	4.5
59.04990	4.2
65.03930	1.8
67.05509	50.3
69.03089	1.4
69.03434	17.5
69.06733	1.6
69.07074	23.8
69.32903	5.0
69.33330	3.2
71.04997	7.1
71.08605	1.2
73.06551	1.4
79.05501	32.6
79.05971	1.7
81.03423	100.0
81.07063	56.9
83.04987	56.6
83.08624	42.1
83.40153	1.1
84.27551	1.0
84.96021	1.3
85.02901	1.2
85.06554	6.9
87.08136	1.0
91.05486	33.4
93.06488	1.4
93.07053	24.4
95.04376	2.2
95.04976	39.8
95.08613	46.2
97.02891	3.8
97.06543	7.6
97.10179	11.6
97.99179	2.5
98.21461	2.1
99.04450	1.9
99.08074	5.0
105.07028	29.4
107.04931	7.4
107.08603	29.4
109.06526	16.8
109.10162	93.1
111.04433	2.5
111.08086	18.2
113.06006	1.6
113.09637	2.9
115.05430	2.0
117.07011	1.7
119.08588	40.6
121.06496	1.6
121.10150	19.5
123.08083	17.0
123.11699	10.0
125.06006	1.4
125.09646	5.2
128.06203	1.2
129.07019	13.2
131.08569	12.0
133.06487	4.7
133.10144	31.1
135.08078	1.4
135.11699	55.3
137.05904	1.7
137.09618	18.6
138.10403	1.4
139.11151	2.8
141.06935	1.1
142.07779	2.7
145.10060	1.5
147.08076	3.7
147.11703	18.0
149.09625	8.2
149.13235	3.6
151.11208	11.9
151.14832	11.0
153.12747	3.8
157.10126	17.3
165.12756	3.9
165.16328	2.2
167.10684	1.5
175.09779	1.8
175.11221	22.9
175.14827	22.0
181.41695	1.0
193.12256	52.9
193.15906	19.8
211.07610	1.3
211.13268	27.9
211.16895	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	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.02380	1.0
53.03942	3.3
55.01878	4.2
55.05512	47.9
56.05841	2.6
56.96559	5.3
57.03436	10.3
57.07077	5.4
59.05001	4.8
61.36471	0.7
65.03932	1.9
67.05505	51.8
69.03085	1.1
69.03434	14.9
69.07074	20.8
71.04994	7.7
71.08608	1.2
71.27623	1.6
76.62440	0.8
77.03923	0.7
79.05492	32.3
81.03421	87.6
81.07056	55.1
82.06614	0.7
82.07397	0.8
83.04984	54.0
83.08620	42.1
83.09352	0.9
84.08946	0.8
84.96064	1.1
85.02894	2.4
85.06548	7.2
87.04465	0.8
91.05486	31.1
93.07047	27.5
93.07640	1.5
95.04972	32.2
95.08610	51.5
97.02898	3.6
97.06525	8.9
97.10165	8.1
97.99174	2.1
99.08114	5.9
100.07618	0.9
100.11249	1.4
101.06026	0.7
101.11588	1.0
105.07037	30.2
107.04957	6.6
107.08597	28.7
108.08190	0.7
109.02892	1.0
109.06522	17.8
109.10159	100.0
111.04477	5.2
111.08078	16.6
112.04786	1.5
113.06032	0.9
113.09644	1.9
115.05449	1.6
117.07021	2.7
119.04987	1.0
119.08585	41.5
121.06509	2.4
121.10143	20.1
123.04406	1.3
123.08079	19.1
123.11712	9.4
125.09599	5.6
127.07535	1.0
127.11239	1.4
128.07068	0.9
129.06993	11.0
131.08569	10.6
133.06505	4.0
133.10130	32.7
135.11694	70.4
137.09615	19.4
137.13176	0.9
138.10422	0.9
139.01891	0.8
139.11209	3.7
141.07101	0.8
142.07805	2.6
145.10184	1.9
147.08060	3.6
147.11691	16.9
149.09636	7.3
149.13268	5.9
151.07614	1.1
151.11203	11.2
151.14819	10.8
153.12735	2.6
157.10136	15.6
163.11208	0.8
165.12738	4.4
165.16388	2.5
167.07024	5.8
167.10719	2.1
169.10004	0.7
175.11197	17.5
175.14815	21.2
183.15762	8.9
193.12245	47.3
193.15869	20.8
211.09604	1.1
211.13312	23.2
211.15164	4.7
211.16992	4.1
230.23306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03930	3.8
55.01867	5.9
55.05516	51.1
56.96568	7.2
57.03439	12.6
57.07063	4.5
59.04990	4.2
65.03930	1.8
67.05509	50.3
69.03089	1.4
69.03434	17.5
69.06733	1.6
69.07074	23.8
69.32903	5.0
69.33330	3.2
71.04997	7.1
71.08605	1.2
73.06551	1.4
79.05501	32.6
79.05971	1.7
81.03423	100.0
81.07063	56.9
83.04987	56.6
83.08624	42.1
83.40153	1.1
84.27551	1.0
84.96021	1.3
85.02901	1.2
85.06554	6.9
87.08136	1.0
91.05486	33.4
93.06488	1.4
93.07053	24.4
95.04376	2.2
95.04976	39.8
95.08613	46.2
97.02891	3.8
97.06543	7.6
97.10179	11.6
97.99179	2.5
98.21461	2.1
99.04450	1.9
99.08074	5.0
105.07028	29.4
107.04931	7.4
107.08603	29.4
109.06526	16.8
109.10162	93.1
111.04433	2.5
111.08086	18.2
113.06006	1.6
113.09637	2.9
115.05430	2.0
117.07011	1.7
119.08588	40.6
121.06496	1.6
121.10150	19.5
123.08083	17.0
123.11699	10.0
125.06006	1.4
125.09646	5.2
128.06203	1.2
129.07019	13.2
131.08569	12.0
133.06487	4.7
133.10144	31.1
135.08078	1.4
135.11699	55.3
137.05904	1.7
137.09618	18.6
138.10403	1.4
139.11151	2.8
141.06935	1.1
142.07779	2.7
145.10060	1.5
147.08076	3.7
147.11703	18.0
149.09625	8.2
149.13235	3.6
151.11208	11.9
151.14832	11.0
153.12747	3.8
157.10126	17.3
165.12756	3.9
165.16328	2.2
167.10684	1.5
175.09779	1.8
175.11221	22.9
175.14827	22.0
181.41695	1.0
193.12256	52.9
193.15906	19.8
211.07610	1.3
211.13268	27.9
211.16895	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	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03925	3.8
55.01847	4.1
55.05516	7.7
56.96540	5.5
57.03421	3.0
57.07060	1.9
61.80736	1.5
64.60011	1.4
65.03933	1.8
67.05495	7.7
69.03408	6.2
69.07076	8.7
69.73397	9.4
70.06602	11.3
71.04977	3.3
72.08174	8.9
72.93758	2.1
73.02902	3.0
79.05491	21.1
81.03392	6.5
81.07076	11.4
83.04931	4.5
83.08606	3.6
85.02910	8.9
86.09715	15.1
87.00816	2.4
88.07578	5.6
88.65617	1.4
88.95276	2.3
90.94805	2.5
91.05483	41.7
93.07054	32.4
95.04990	14.7
95.08637	8.2
97.02854	5.1
97.06567	9.4
97.61269	1.6
98.21461	2.3
98.97556	6.9
99.04414	3.6
103.05437	2.8
105.07036	41.7
107.04952	9.9
107.07906	2.8
107.08596	54.6
109.02821	6.9
109.06463	5.8
109.10130	4.9
111.04391	5.1
111.08040	2.6
112.08853	1.6
116.98595	3.4
117.06963	6.8
119.04928	3.2
119.08589	100.0
121.06520	10.6
121.09335	2.3
121.10143	27.0
123.04430	7.3
123.08080	10.4
123.11665	1.8
124.11222	2.1
125.02300	3.0
125.05974	3.9
125.09588	1.9
127.03915	15.4
128.98532	1.4
129.06958	7.1
130.96301	12.2
131.01773	1.9
131.04863	1.5
131.08585	35.4
133.06447	5.1
133.10172	8.6
135.04376	2.4
135.08057	13.8
135.11594	2.0
137.05904	4.7
137.09557	3.7
139.03862	1.9
139.07552	2.5
140.34261	1.5
141.05391	2.2
147.08049	30.5
148.97351	14.0
149.05873	6.7
149.09631	39.3
149.13246	2.5
151.03853	5.9
151.07465	3.3
151.11127	2.4
152.10655	4.0
153.01825	2.0
153.05475	9.7
153.09052	3.0
155.07002	2.3
158.99593	2.1
159.08060	10.3
163.03938	1.9
163.07477	3.1
165.09119	39.6
165.10373	1.9
167.07077	16.3
167.10649	12.4
177.05466	3.3
177.07669	2.6
177.09109	35.9
180.55276	1.9
181.04883	1.8
189.55717	1.8
189.97702	9.2
195.04881	1.8
195.06572	10.8
195.08340	2.6
195.10144	42.9
195.13683	1.9
207.98647	2.5
213.03731	1.6
213.05550	3.7
213.11134	97.5
213.16344	2.7
213.18695	1.4
216.05292	1.5
230.53065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03933	3.1
55.01856	2.5
55.05487	3.7
56.96553	2.4
57.03434	2.4
59.04988	1.4
60.92976	0.8
61.02907	1.0
65.03934	1.4
65.44818	1.0
67.05482	3.8
67.25243	1.0
68.99768	1.1
69.03418	3.1
69.07054	3.3
70.06259	1.0
70.06596	9.9
71.04991	2.5
71.39716	2.2
71.90084	1.0
72.08153	2.0
72.93771	1.2
73.02866	1.4
79.05503	13.8
81.03391	4.2
81.07059	9.4
83.04958	3.3
83.08610	1.6
84.08171	1.2
85.02890	2.9
86.09695	1.6
88.07618	4.2
88.95277	1.2
90.94786	1.3
91.05485	28.7
93.06507	1.6
93.07053	29.9
94.85223	0.9
95.04964	8.3
95.08623	6.7
97.02864	3.4
97.06557	5.1
98.97574	2.8
99.04431	2.0
103.05450	1.4
105.07039	43.1
107.04966	10.1
107.08602	73.4
109.02847	2.6
109.06479	4.4
109.10139	2.8
110.07146	0.9
111.04406	1.5
111.08057	1.9
113.05925	1.0
115.55166	1.0
116.06194	2.9
116.07063	2.3
116.98600	1.2
117.07001	3.9
119.04906	1.7
119.08591	100.0
121.02855	1.7
121.06494	6.5
121.10156	32.2
123.04433	2.2
123.08050	4.4
123.11684	1.0
125.02328	3.4
125.05954	4.2
125.09639	1.5
127.03899	6.4
129.06975	3.4
130.96339	8.6
131.04958	1.1
131.08580	42.3
133.06461	3.5
133.07440	1.4
133.10121	5.7
135.04396	3.6
135.08066	8.7
137.05956	2.6
137.09596	1.7
139.03845	1.6
140.04700	5.6
141.05420	1.3
147.08060	44.5
147.96542	1.7
148.97379	12.0
149.05930	2.5
149.09633	38.5
151.03889	3.3
151.07533	1.4
151.11140	2.3
153.01772	1.5
153.05464	5.6
153.09064	2.9
153.10258	0.9
155.07027	4.8
159.08066	11.0
159.11597	1.1
161.02888	1.2
162.03079	1.3
163.02736	1.1
163.03911	4.4
165.09129	40.0
165.97572	1.2
167.07068	6.9
167.10706	11.4
171.98857	0.9
172.97670	1.0
177.05486	1.6
177.09122	37.9
177.12532	1.2
185.09952	0.9
189.97701	5.0
195.06525	5.9
195.08342	2.1
195.10175	37.8
207.98666	1.8
213.03758	1.4
213.05602	2.0
213.07590	1.6
213.11176	34.8
213.15988	1.0
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	MKN-003B
Peak:m/z	Relative Intensity
53.03952	3.3
55.05514	14.7
57.03425	7.9
57.07088	3.0
67.05508	67.2
69.07068	22.7
71.04977	6.4
71.12322	3.3
75.63749	1.8
79.05499	35.9
81.03426	4.1
81.07059	100.0
83.04973	6.5
83.08630	16.5
85.06541	4.7
91.05489	19.4
93.06489	3.8
93.07050	57.4
95.04961	3.9
95.08609	26.7
97.06538	15.5
97.10176	2.0
99.08090	2.8
105.07032	6.0
107.08604	28.2
109.10165	4.7
111.08057	8.5
111.87247	2.5
117.07001	8.7
119.08622	2.6
121.06516	2.0
121.10129	16.9
123.11684	4.4
131.08560	9.6
133.10114	14.6
135.11703	15.0
149.13266	47.9
151.11166	2.2
157.10178	3.0
158.53606	2.5
159.11739	22.3
171.11685	2.9
173.36768	2.1
177.12759	8.3
195.13817	15.4
213.09114	2.2
213.16438	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
52.89013	1.7
53.03941	4.5
55.01881	3.6
55.05510	22.5
57.00958	2.1
57.03431	10.6
57.07085	4.1
57.07362	1.8
62.64467	1.7
67.05505	78.5
69.07077	24.2
70.57749	4.9
71.04993	8.2
79.05495	36.1
81.03399	3.0
81.07061	100.0
82.03728	2.1
83.04968	9.2
83.08623	16.9
85.06523	7.1
85.10177	2.1
88.07645	4.1
91.05485	28.1
93.07044	71.1
95.04977	5.0
95.08604	27.5
97.06538	15.0
99.08109	4.6
103.21110	2.3
105.07036	6.9
107.08596	35.9
109.06514	3.6
111.08071	10.6
113.05991	2.5
117.07027	9.0
119.08591	2.8
121.10131	15.0
123.11668	2.5
129.07014	2.9
131.08578	10.0
133.10152	17.3
135.11684	14.0
135.50787	2.0
139.11183	2.8
143.08594	2.4
147.69530	1.9
149.13255	46.2
149.14398	3.7
157.10143	5.5
159.11731	20.0
171.11679	4.2
177.12723	7.4
188.95601	2.1
195.06367	2.5
195.13783	11.8
213.09036	3.6
213.16400	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	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03936	3.6
55.01866	3.8
55.05509	16.5
57.03441	16.3
57.07063	3.8
59.99413	1.2
65.03947	1.5
67.05505	81.4
69.07069	29.7
71.01340	1.4
71.04980	5.2
71.08617	1.3
79.05491	37.4
81.03410	1.8
81.07059	100.0
83.04982	11.1
83.08620	17.3
85.06532	6.1
88.07626	2.4
91.04916	1.8
91.05476	20.0
93.07043	71.3
95.04947	6.6
95.08609	27.1
97.06544	14.6
97.10155	2.8
99.08077	4.6
105.07011	7.3
107.08598	34.6
109.06508	1.8
109.10147	3.9
111.08089	10.8
111.11720	1.5
117.07028	9.7
117.44005	1.2
117.92686	1.3
119.08578	3.2
121.06489	3.1
121.09341	1.7
121.10151	23.1
123.08012	1.5
123.11726	1.4
129.07059	2.1
131.08566	10.2
133.10139	8.0
135.08119	2.9
135.11694	13.2
139.11171	1.8
145.10146	1.9
147.11705	1.8
149.09694	1.8
149.13264	67.2
157.10176	5.0
159.11705	24.8
171.11671	2.0
177.12723	10.9
190.12010	3.3
195.13829	13.6
213.05400	1.8
213.09048	2.4
213.12784	3.1
213.16420	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	213.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01860	1.9
55.05511	16.4
57.03440	22.5
63.88127	1.4
67.05508	59.3
69.03423	2.1
69.07071	18.2
69.77590	9.4
71.01350	6.5
71.05008	8.9
72.81605	1.6
79.05499	53.3
81.02978	2.1
81.03408	11.5
81.07057	31.4
83.04984	17.4
83.08615	7.4
85.06546	6.7
88.07627	7.3
91.05479	22.7
93.07050	60.8
95.04967	3.8
95.08617	10.6
96.88606	1.5
97.06536	18.8
97.10181	8.8
98.21512	2.2
99.08105	5.1
105.04523	1.8
105.07034	6.4
107.08603	42.2
109.06487	2.0
109.10174	6.1
110.93606	1.6
111.08107	4.4
111.11709	2.1
117.07025	4.9
119.06088	1.6
119.08597	13.3
121.06528	3.5
121.10152	18.3
125.09620	3.3
127.76679	1.5
131.08502	2.6
133.10153	5.9
135.07977	2.0
135.11697	100.0
137.09618	3.5
143.08572	6.0
145.10136	17.8
149.13284	3.4
153.12714	2.0
156.97414	1.9
157.10135	7.4
163.11174	16.0
170.11009	2.3
171.11682	8.3
181.12256	25.7
185.09868	1.9
195.06482	3.7
195.14076	1.7
198.40567	1.8
200.60512	1.7
204.83900	2.0
213.12715	6.1
213.16333	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03942	3.2
55.01859	3.8
55.05279	1.5
55.05517	19.5
56.96566	1.0
57.03443	10.5
57.07064	4.2
59.60592	1.0
61.90844	1.1
65.03928	1.2
67.05510	77.4
69.07073	26.5
69.89024	3.4
71.01345	1.8
71.04998	8.2
73.02917	1.2
73.06564	1.1
75.09579	1.0
77.03922	1.2
79.05499	39.4
81.03426	3.4
81.07062	100.0
83.04983	9.0
83.08624	20.8
85.02905	1.1
85.06539	3.9
88.07618	3.0
91.05486	24.2
92.49771	0.9
93.07049	64.7
95.05008	5.2
95.07999	1.4
95.08611	27.1
97.06543	15.7
97.10165	2.6
99.04424	1.8
99.08077	3.0
105.07039	19.0
107.04951	1.3
107.08600	29.9
109.06519	2.1
109.10149	4.0
111.08095	7.8
113.06022	1.8
115.05503	1.0
117.07021	13.0
119.06069	0.9
119.08588	11.7
121.06519	1.8
121.10152	17.9
123.08110	1.0
123.11718	4.9
124.21645	0.9
125.09642	1.2
127.03907	2.0
129.07002	3.9
131.08580	14.1
133.10141	15.7
135.08063	1.3
135.11694	17.7
139.11200	1.0
141.07019	1.0
142.07761	3.5
143.08575	6.6
145.10146	5.8
147.11781	1.3
149.09598	2.0
149.13269	43.2
151.11209	1.9
157.06546	1.5
157.10139	12.9
159.11711	22.2
159.12941	0.9
167.08560	2.4
167.14374	2.3
171.11713	9.7
177.12781	11.1
179.40717	1.2
185.09972	1.0
185.13295	2.2
195.08105	2.3
195.11987	1.5
195.13808	14.4
195.80119	0.9
213.05493	1.9
213.09204	3.6
213.12791	4.5
213.14549	1.1
213.16414	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	213.1486
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.03938	4.2
55.01868	2.9
55.05516	17.9
57.03445	16.7
57.07077	2.7
64.34737	1.8
66.31647	1.9
67.05511	78.9
69.07076	23.3
70.76022	5.1
71.04991	6.0
79.05501	42.8
81.03442	3.7
81.07064	100.0
83.05001	13.1
83.08626	18.9
85.06529	5.4
88.07642	3.2
91.05474	20.3
93.07054	69.2
95.04982	3.9
95.08610	22.7
97.06525	13.4
97.10196	2.5
99.08112	4.7
104.46098	2.0
105.07035	8.8
107.08594	32.5
109.06510	3.1
109.10149	4.1
111.08086	7.8
117.06976	9.3
119.08590	4.1
121.10149	21.4
123.94508	1.9
131.08566	9.4
133.10147	11.1
135.08099	2.4
135.11710	15.3
139.11201	3.4
149.13272	57.9
159.11690	24.4
172.89891	2.1
177.12758	9.5
181.11380	2.4
195.13853	11.1
200.02092	2.3
213.09366	1.9
213.16394	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03942	4.2
55.01882	3.5
55.05515	17.7
56.96559	7.0
57.03421	7.9
57.07064	6.8
62.39857	1.8
63.58604	1.9
64.33086	2.1
65.00488	1.9
67.05508	69.4
69.07072	24.9
70.06591	1.9
70.64816	5.0
71.05005	9.0
71.08621	2.8
74.20536	1.6
79.05498	42.0
81.03427	2.7
81.07061	100.0
83.04977	8.1
83.08620	21.7
85.06557	4.0
88.07645	10.2
89.82983	1.9
89.90666	3.0
91.05487	23.1
93.07048	66.6
95.04960	5.1
95.08602	25.8
97.06536	15.1
97.10152	2.9
99.04465	1.8
99.08117	3.4
102.01624	1.9
105.07049	24.1
107.08604	34.9
109.06493	3.6
109.10133	5.9
111.08074	7.6
117.07026	9.5
119.08579	13.8
121.06514	3.8
121.10167	21.7
127.07500	2.5
129.07011	7.3
131.08569	10.9
133.10146	17.2
135.11681	13.7
137.05994	18.2
139.07527	3.6
142.07768	6.6
143.08601	10.2
145.10139	8.1
149.13268	46.2
151.11197	2.5
153.09041	2.5
156.09329	3.3
157.10127	17.5
159.11711	17.5
171.11665	15.6
177.12772	10.2
177.16377	3.1
181.58522	7.8
185.09837	3.2
185.13289	2.9
192.62212	6.2
195.06435	2.7
195.08162	2.3
195.10190	2.5
195.13910	13.3
195.17392	2.0
201.62801	2.8
212.36665	2.1
213.05374	3.8
213.09309	5.9
213.12848	4.3
213.16408	42.6
213.18445	4.0
214.25264	5.1
226.11089	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	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
51.26155	2.1
53.03934	4.8
55.01872	3.3
55.05515	20.4
55.39479	2.1
57.03443	14.6
57.07072	4.3
65.03942	2.5
67.05511	78.6
67.33776	2.1
69.07076	27.5
70.58922	1.9
70.84264	5.6
71.04996	8.8
79.05501	40.7
81.03400	2.6
81.07063	100.0
83.04987	12.3
83.08636	22.7
85.06547	4.2
85.81164	2.4
87.69441	2.1
88.07635	12.2
91.05478	24.6
93.07050	71.9
95.04965	6.0
95.08612	30.8
97.06549	21.8
97.10181	4.1
99.08083	4.9
105.07037	11.6
107.04928	2.4
107.08607	34.7
109.06525	5.1
109.10152	5.9
110.03719	2.1
111.08097	7.6
117.07040	15.8
119.08572	7.5
121.10159	20.0
123.11717	3.0
129.07033	5.6
130.93266	2.9
131.08563	11.5
133.10146	12.1
135.11705	17.9
143.08574	9.1
145.10114	6.2
148.13686	2.2
149.09682	2.4
149.13278	58.9
157.10083	13.7
159.11703	26.2
170.10895	2.7
171.11688	7.9
177.12766	10.7
177.16510	2.2
185.09764	2.5
195.06433	5.3
195.12129	2.8
195.13805	13.9
213.05428	2.5
213.09157	5.4
213.12914	4.6
213.16472	26.0
214.25279	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	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01867	4.1
55.05518	25.0
56.96569	4.7
57.03433	10.1
57.07076	8.6
65.67558	3.9
67.05182	6.2
67.05515	73.9
67.65760	3.3
69.07072	31.0
70.06597	5.0
71.05000	6.3
71.08625	6.0
71.52100	4.8
72.32422	3.5
79.05503	43.7
81.07069	100.0
82.32884	3.5
83.04982	16.0
83.08639	25.1
85.02916	4.0
85.06547	5.1
88.07630	14.5
91.05482	27.9
93.06499	3.7
93.07056	65.8
95.04997	6.5
95.08603	26.9
97.06548	12.8
97.10156	4.1
98.06117	4.0
99.08112	7.5
105.07025	12.1
107.08595	34.9
109.10161	7.7
111.08085	12.9
117.07013	12.5
119.08588	9.8
121.06557	4.6
121.10145	27.0
125.06042	4.2
127.13148	3.8
129.07016	8.6
131.08563	10.6
133.10132	14.5
135.11703	12.3
139.11232	4.0
143.08580	11.7
145.10150	4.5
148.94383	3.7
149.13286	47.6
153.45047	4.0
155.08597	4.2
157.10175	18.9
159.11728	28.8
165.07112	3.5
167.08566	4.3
171.11711	12.7
177.12764	9.7
183.11690	3.8
195.11678	6.0
195.13828	11.1
213.09306	6.1
213.13028	6.8
213.16415	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.05273	1.2
55.05515	16.6
57.03424	2.7
57.07080	9.6
67.05515	6.8
69.03430	1.4
69.07078	8.2
69.20943	7.4
71.04976	1.4
71.08627	0.8
79.05499	6.3
81.07070	9.4
83.04984	9.1
83.08598	1.8
85.06540	4.6
88.07621	2.1
91.05485	5.3
93.07048	15.2
95.04945	1.7
95.08615	13.4
97.06537	7.0
105.07034	4.6
107.04984	1.1
107.08606	21.9
109.06521	4.1
109.10139	3.6
111.04450	100.0
111.08092	4.9
113.06004	3.0
117.07024	2.8
119.08575	2.6
121.06504	3.0
121.10136	4.6
122.07284	1.3
123.08040	1.2
125.06000	29.1
127.07584	4.1
129.07028	1.4
130.07729	1.1
131.08586	0.9
133.10153	1.4
135.08058	13.7
135.11694	22.2
137.09601	1.2
137.13228	2.0
139.07558	3.6
142.07843	0.9
143.08565	2.0
145.10124	18.9
149.09442	0.8
149.13239	2.4
153.12698	5.2
156.09114	0.7
157.10115	3.3
163.09883	1.6
163.11198	25.1
171.11713	1.1
177.16425	1.1
181.12244	59.9
184.12585	0.9
195.06519	1.0
195.12149	0.7
195.13820	4.7
198.10397	0.9
213.12646	2.6
213.14809	3.3
213.16595	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
53.03940	3.1
55.01860	1.9
55.05511	16.4
57.03440	22.5
63.88127	1.4
67.05508	59.3
69.03423	2.1
69.07071	18.2
69.77590	9.4
71.01350	6.5
71.05008	8.9
72.81605	1.6
79.05499	53.3
81.02978	2.1
81.03408	11.5
81.07057	31.4
83.04984	17.4
83.08615	7.4
85.06546	6.7
88.07627	7.3
91.05479	22.7
93.07050	60.8
95.04967	3.8
95.08617	10.6
96.88606	1.5
97.06536	18.8
97.10181	8.8
98.21512	2.2
99.08105	5.1
105.04523	1.8
105.07034	6.4
107.08603	42.2
109.06487	2.0
109.10174	6.1
110.93606	1.6
111.08107	4.4
111.11709	2.1
117.07025	4.9
119.06088	1.6
119.08597	13.3
121.06528	3.5
121.10152	18.3
125.09620	3.3
127.76679	1.5
131.08502	2.6
133.10153	5.9
135.07977	2.0
135.11697	100.0
137.09618	3.5
143.08572	6.0
145.10136	17.8
149.13284	3.4
153.12714	2.0
156.97414	1.9
157.10135	7.4
163.11174	16.0
170.11009	2.3
171.11682	8.3
181.12256	25.7
185.09868	1.9
195.06482	3.7
195.14076	1.7
198.40567	1.8
200.60512	1.7
204.83900	2.0
213.12715	6.1
213.16333	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
55.05516	4.7
56.96567	11.3
57.07075	6.1
60.02214	0.9
67.05512	6.6
69.03421	1.0
69.07076	9.1
70.06615	1.1
70.98125	4.7
71.05000	1.1
71.08628	1.4
71.52771	0.7
71.53284	1.5
77.81701	0.8
79.05499	6.4
81.07062	7.2
83.04969	1.1
83.08626	6.1
88.07651	5.1
88.99161	0.9
91.05480	8.1
93.07050	7.7
95.08604	5.1
97.06493	1.7
103.05502	0.9
105.07036	34.9
107.04946	0.9
107.08601	8.6
107.64046	0.9
109.10162	2.6
110.97501	0.8
117.07027	2.9
119.08591	36.6
121.10160	8.7
125.06058	1.0
128.06236	6.7
128.98593	1.4
129.07005	7.3
131.05385	1.5
131.08560	3.7
133.10144	5.0
135.11725	1.5
139.07509	1.9
141.06964	2.4
141.21742	1.0
142.07750	10.9
143.08569	40.7
145.10146	4.5
149.13213	2.1
155.06039	1.0
155.08511	1.7
156.09364	9.0
157.06558	1.2
157.10138	40.0
158.10849	1.0
159.11760	2.1
167.08836	1.6
167.14409	1.0
169.10138	2.9
170.10938	2.1
171.11702	33.4
172.16991	11.4
176.09596	2.4
183.10344	2.4
183.11774	4.3
184.12555	1.7
185.13351	4.0
191.73781	1.0
192.10876	5.0
195.11639	1.4
198.10324	1.2
198.13986	4.6
201.11464	4.9
201.61555	1.1
202.20708	0.9
203.61757	2.5
212.62277	1.3
213.05557	1.1
213.09142	3.0
213.12794	4.5
213.16397	100.0
213.24069	1.4
214.16814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90897	0.6
53.03958	0.9
55.01876	1.4
56.05045	0.8
56.96582	0.9
57.03442	2.0
58.85051	0.6
58.99866	1.2
60.08180	0.6
60.77905	0.6
61.02930	5.2
62.49724	0.6
69.03432	2.4
69.07071	10.6
70.06596	2.7
70.93976	0.6
70.99178	1.5
70.99869	0.9
71.06927	0.8
72.08164	1.9
73.02917	4.8
75.04480	1.4
77.00912	0.7
81.03445	0.9
82.01464	1.4
82.99819	4.2
84.08152	1.5
85.02899	4.6
86.09708	81.6
86.99320	0.8
90.94830	1.2
91.02430	0.9
97.02907	2.9
97.06544	9.6
98.97595	0.9
99.04469	0.8
100.01466	0.8
100.02499	5.5
101.00887	42.8
102.00970	0.9
102.02263	0.9
103.00648	1.4
105.00408	1.2
109.02880	1.3
110.01306	0.8
112.02490	0.9
112.07605	2.6
113.00895	2.1
113.96378	0.7
115.01575	0.7
115.02426	1.5
118.03517	10.1
119.01924	100.0
120.02087	1.6
121.01649	1.3
126.07616	1.3
127.02436	1.2
127.03933	1.3
128.02348	0.8
128.98643	0.9
130.03526	1.8
131.01900	5.6
132.05147	1.0
132.95760	1.0
133.01605	0.8
133.03467	5.8
136.04573	1.5
137.02963	20.8
137.04025	1.1
142.03499	3.5
143.01923	4.2
144.05049	2.5
144.08707	2.6
144.99825	1.1
145.01590	1.0
145.03442	4.9
149.02921	1.3
151.04463	0.8
153.55899	0.9
154.03488	2.0
155.01883	2.0
155.05510	2.1
157.03484	0.8
160.04669	0.8
160.06299	1.3
161.02884	5.0
162.09724	1.5
163.02641	1.3
163.04539	1.6
168.01601	1.1
168.05049	3.3
168.08694	5.4
172.04536	3.1
172.08261	0.8
173.03011	5.4
173.06606	2.1
174.03012	1.0
174.04343	0.9
177.02422	2.6
184.08182	0.8
185.03012	1.5
186.06123	2.1
186.09764	58.5
187.00896	1.4
187.02577	1.1
190.03825	0.7
190.05573	1.0
190.07291	0.8
191.04031	10.8
191.07692	2.4
196.04460	2.4
196.08195	3.4
197.05013	1.0
197.06601	5.1
200.04041	1.4
201.02402	0.7
203.03992	0.9
204.10814	18.1
208.99722	0.8
209.05119	1.4
214.05856	8.3
214.07637	2.2
214.09225	37.7
214.10767	1.7
214.14206	2.1
215.00421	0.9
215.07690	5.3
232.10321	80.6
233.08632	3.1
233.10651	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1392
Annotation	d-Dethiobiotin
Peak:m/z	Relative Intensity
55.01854	0.4
55.05468	1.3
56.04983	0.3
57.03403	0.3
58.06575	0.5
59.27438	0.3
67.05511	5.8
69.03398	0.4
69.07074	6.6
69.07422	0.5
70.02945	0.4
70.06598	2.1
70.48801	0.6
71.04946	0.9
72.93755	0.5
74.09682	0.4
79.05466	0.8
81.07072	2.2
81.07441	0.5
83.08572	0.6
84.04481	0.4
84.08083	1.0
86.06011	0.4
91.05431	1.2
93.07049	2.9
94.06574	0.4
95.08608	6.6
96.04439	1.4
98.98425	0.4
99.05579	3.7
100.07566	0.5
107.08583	0.5
108.08089	0.7
109.09509	0.4
109.10166	6.8
110.09621	1.2
111.05573	2.6
111.11708	0.7
112.07571	0.4
112.30721	0.3
114.94717	0.3
119.08530	1.5
125.07113	0.3
126.12759	1.2
132.95844	4.1
134.09572	0.6
136.11227	5.6
137.07054	0.7
137.09647	1.7
139.01555	0.5
149.96086	0.4
150.96895	3.0
151.12267	1.0
152.10617	0.4
153.10245	0.3
154.12283	4.0
169.10173	0.3
179.11803	22.9
180.10228	0.5
191.97166	1.7
197.12863	100.0
198.13161	0.7
200.04599	0.7
209.98251	0.5
215.07159	0.9
215.13942	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	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
50.05002	0.5
53.03948	0.7
55.01892	0.6
55.05513	15.6
57.03430	0.8
57.07079	5.0
58.36675	0.5
59.04995	0.8
60.62562	0.6
65.03938	0.6
67.05507	40.0
69.03422	0.7
69.07071	12.0
70.42474	0.9
70.42873	1.1
71.04990	5.9
71.08634	3.3
73.06568	0.9
79.05494	8.2
81.07059	82.5
81.76726	0.5
83.04976	2.5
83.08614	5.6
85.06532	3.5
88.11271	1.3
91.05479	4.9
93.07034	8.2
94.83668	0.6
95.05009	1.0
95.08609	62.8
97.06536	2.4
97.10170	5.4
99.08110	1.6
100.07625	2.0
105.07035	8.2
107.08617	3.6
109.06525	2.0
109.10174	6.3
111.04437	1.1
119.08575	9.2
121.06522	0.8
121.10134	3.0
123.08090	3.9
128.07063	0.9
132.95824	2.8
133.10143	5.9
135.11703	12.9
137.13258	100.0
138.13596	0.8
139.01575	0.6
141.09106	1.1
145.10147	0.7
149.96144	0.6
150.96877	1.9
151.14839	1.4
154.07896	0.6
155.14282	0.8
159.04208	0.6
159.11700	0.7
160.16032	0.5
161.13263	16.3
167.14305	0.6
169.10092	0.7
170.15401	14.5
179.14322	12.4
180.41483	0.7
187.11172	0.8
191.97113	0.5
197.15398	2.6
198.14893	15.5
215.07018	0.9
215.10712	0.9
215.14560	0.5
215.16447	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	217.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
54.65348	0.4
55.05514	32.5
57.03437	0.7
57.05814	0.7
59.05003	2.8
59.05252	0.4
64.92770	0.4
67.05511	3.8
69.03429	2.0
69.07059	1.2
70.06586	1.5
71.52776	0.6
71.53123	0.9
72.08157	100.0
72.93797	0.6
73.02901	1.1
79.06069	0.5
81.03408	0.6
82.99873	0.4
83.04985	35.3
83.08614	1.3
84.08131	0.7
85.06540	2.4
86.06069	0.7
87.00798	0.8
87.04468	3.8
89.02387	2.9
89.06042	9.7
91.05405	0.5
95.04966	1.2
97.02896	0.7
97.06540	0.4
99.04433	2.7
101.00854	3.1
101.06020	16.2
107.07067	0.6
107.18382	0.4
111.04446	62.8
111.08094	0.8
112.07629	0.6
113.06009	6.5
118.08663	2.8
119.01934	4.1
121.01692	0.8
126.26579	0.4
127.02479	0.5
127.07550	6.3
128.56480	0.5
129.05479	10.3
129.06973	0.6
132.95877	0.6
133.03496	0.5
137.02979	0.6
137.05965	1.6
139.01558	0.5
143.05586	1.0
144.95859	1.4
145.03464	3.7
145.07118	1.9
149.04825	1.1
154.08810	0.4
155.07039	68.5
156.10222	0.6
156.97554	0.5
160.06409	0.6
161.06580	0.5
162.96892	0.6
163.04489	1.1
163.08167	0.8
164.13855	0.5
171.01392	1.2
171.14929	1.2
173.08102	54.2
174.11296	0.4
175.08260	0.8
186.96904	1.7
189.02466	1.3
191.05873	1.8
194.00847	0.6
198.05223	0.5
199.09630	5.3
199.11272	0.5
207.03514	0.8
217.05054	1.9
217.10774	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	218.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42673	0.8
50.49545	0.6
51.53115	0.7
53.03940	1.6
55.01874	0.9
55.05518	2.9
56.05042	1.5
57.03438	3.1
60.08157	1.0
61.02920	3.0
61.27489	0.7
67.05516	1.6
69.03415	3.8
69.07076	4.2
70.06595	11.0
70.99870	0.8
71.01352	0.9
71.04998	5.6
72.08155	1.9
73.02918	3.0
79.05499	1.3
81.03420	0.9
81.07093	1.9
83.04978	1.8
84.04504	2.5
84.05282	1.3
84.08138	4.0
85.02915	3.4
85.59869	0.7
86.06071	49.5
86.09715	4.3
87.04471	51.3
88.07633	17.0
95.08609	1.4
96.08129	1.4
97.06537	11.4
97.34288	0.7
98.06059	2.5
98.09686	1.1
98.97601	3.4
99.04460	0.9
99.08096	3.0
100.07608	4.2
101.00871	4.0
102.00993	2.1
102.05585	1.2
103.00638	1.2
103.03965	0.8
104.07107	4.9
110.02181	1.3
110.06067	0.7
110.09682	2.8
111.02956	0.8
111.04473	2.7
112.04773	1.6
112.07612	1.3
112.35105	0.7
113.00866	1.7
114.09173	6.7
115.01344	0.9
115.02482	1.5
117.01895	1.0
119.01922	3.2
120.02038	1.5
121.01691	1.1
127.03905	1.0
128.07091	0.9
129.10272	0.9
131.01913	1.5
131.03389	1.1
132.02171	0.8
133.03452	1.4
136.06203	1.0
137.02892	0.9
138.09163	6.7
139.02429	0.8
142.08662	5.1
146.03575	1.3
148.02927	1.2
151.02406	0.8
154.12276	1.0
155.07047	1.1
156.07434	2.6
156.10207	81.1
158.03229	1.3
158.08130	1.1
159.02888	1.4
161.02950	1.9
167.01907	3.0
173.02962	2.1
173.08070	0.9
174.08339	2.7
174.11267	100.0
175.00935	1.1
176.00980	0.9
176.04211	1.6
182.11827	1.2
191.04050	1.1
194.05223	3.1
196.04474	1.1
200.12823	41.0
213.05423	0.9
217.01968	1.4
217.07977	0.9
217.31041	0.9
218.01935	1.2
218.05281	1.9
218.11009	2.3
218.13878	26.0
218.17427	11.4
218.21391	0.7
236.06319	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	218.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42673	0.8
50.49545	0.6
51.53115	0.7
53.03940	1.6
55.01874	0.9
55.05518	2.9
56.05042	1.5
57.03438	3.1
60.08157	1.0
61.02920	3.0
61.27489	0.7
67.05516	1.6
69.03415	3.8
69.07076	4.2
70.06595	11.0
70.99870	0.8
71.01352	0.9
71.04998	5.6
72.08155	1.9
73.02918	3.0
79.05499	1.3
81.03420	0.9
81.07093	1.9
83.04978	1.8
84.04504	2.5
84.05282	1.3
84.08138	4.0
85.02915	3.4
85.59869	0.7
86.06071	49.5
86.09715	4.3
87.04471	51.3
88.07633	17.0
95.08609	1.4
96.08129	1.4
97.06537	11.4
97.34288	0.7
98.06059	2.5
98.09686	1.1
98.97601	3.4
99.04460	0.9
99.08096	3.0
100.07608	4.2
101.00871	4.0
102.00993	2.1
102.05585	1.2
103.00638	1.2
103.03965	0.8
104.07107	4.9
110.02181	1.3
110.06067	0.7
110.09682	2.8
111.02956	0.8
111.04473	2.7
112.04773	1.6
112.07612	1.3
112.35105	0.7
113.00866	1.7
114.09173	6.7
115.01344	0.9
115.02482	1.5
117.01895	1.0
119.01922	3.2
120.02038	1.5
121.01691	1.1
127.03905	1.0
128.07091	0.9
129.10272	0.9
131.01913	1.5
131.03389	1.1
132.02171	0.8
133.03452	1.4
136.06203	1.0
137.02892	0.9
138.09163	6.7
139.02429	0.8
142.08662	5.1
146.03575	1.3
148.02927	1.2
151.02406	0.8
154.12276	1.0
155.07047	1.1
156.07434	2.6
156.10207	81.1
158.03229	1.3
158.08130	1.1
159.02888	1.4
161.02950	1.9
167.01907	3.0
173.02962	2.1
173.08070	0.9
174.08339	2.7
174.11267	100.0
175.00935	1.1
176.00980	0.9
176.04211	1.6
182.11827	1.2
191.04050	1.1
194.05223	3.1
196.04474	1.1
200.12823	41.0
213.05423	0.9
217.01968	1.4
217.07977	0.9
217.31041	0.9
218.01935	1.2
218.05281	1.9
218.11009	2.3
218.13878	26.0
218.17427	11.4
218.21391	0.7
236.06319	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	218.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01870	1.9
55.05512	3.5
56.05038	1.8
56.05851	1.3
57.03440	6.1
60.08186	1.1
61.02920	1.1
66.16955	0.8
67.05498	2.0
68.05035	0.8
68.05839	0.9
69.03442	6.0
69.07073	6.5
70.06599	94.5
71.01365	6.5
71.04986	5.2
71.27039	1.3
71.27375	1.0
72.08163	5.5
73.02924	2.5
73.08472	1.8
75.04492	1.3
79.05473	1.8
81.07061	4.9
82.06552	1.1
83.04981	2.4
84.04503	5.0
84.05317	2.0
84.08155	6.1
85.02919	8.7
86.06076	49.1
86.09721	4.3
87.04477	51.4
88.07637	8.7
95.04973	0.9
95.08617	1.3
96.08135	1.6
97.02892	0.9
97.06535	35.9
98.06066	2.3
98.09705	2.2
98.97582	1.2
99.08103	5.6
100.07619	2.0
101.00891	2.1
102.00998	2.6
102.05552	3.2
102.06397	0.7
103.03954	0.9
104.07110	12.6
110.09704	3.0
111.03812	0.8
111.04448	3.9
112.04782	5.0
112.07598	4.2
113.00857	1.3
113.06020	0.8
114.09181	18.0
116.10741	1.3
119.01926	4.3
120.02017	3.3
126.09162	1.7
126.18256	0.9
130.08629	1.1
131.01927	2.0
131.03418	3.7
133.03471	1.5
134.03714	0.9
138.09178	7.3
142.08650	5.9
142.93150	1.0
145.03439	1.7
146.03571	3.5
154.08659	3.2
154.12292	1.5
155.01968	1.1
155.07045	1.7
156.07475	6.0
156.10213	52.4
157.11026	1.4
158.08084	1.2
159.02887	3.6
161.03049	0.9
164.04800	1.3
172.09721	2.4
173.08096	1.0
174.03030	0.9
174.08653	5.3
174.11278	51.5
177.02449	1.6
180.04497	1.5
182.11836	3.0
191.04065	1.0
192.04201	1.8
200.12837	100.0
201.02527	1.4
218.02122	0.9
218.10905	6.2
218.13879	15.2
218.17480	12.0
218.21210	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21193	10.2
50.81769	13.0
57.54714	11.2
69.77029	40.0
69.77444	19.8
147.79079	12.2
182.24193	13.2
191.87047	11.2
219.02666	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69219	100.0
69.69628	56.6
72.08149	46.8
86.09715	56.4
219.02689	55.5
219.17422	61.1
223.61703	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1743
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
51.04040	0.7
53.03949	0.7
55.05500	5.4
57.03429	1.3
57.07061	2.4
58.08820	0.7
59.04977	1.8
61.00039	0.7
61.25103	0.7
67.05510	7.9
67.38782	0.7
69.03431	0.9
69.07071	26.4
71.04993	5.7
73.92312	0.7
79.05493	4.3
79.14936	0.6
81.07059	13.7
83.04984	1.5
83.08610	4.8
85.06527	2.3
90.50237	0.7
91.05466	4.3
93.07047	12.8
95.04952	2.1
95.08608	23.2
97.06508	2.2
97.10164	1.9
98.21499	2.5
105.07039	18.9
107.08600	18.6
107.14490	0.7
109.06506	4.8
109.10159	22.1
111.08075	2.5
111.11641	0.8
112.39023	0.7
113.09633	1.3
116.06227	0.8
117.07011	3.7
119.08585	19.6
121.06483	2.3
121.09337	1.2
121.10153	18.7
123.08058	2.5
123.11700	6.2
125.09641	2.4
129.06978	0.7
130.07755	1.2
131.08560	6.2
133.10115	7.8
135.08057	3.8
135.11700	15.1
137.09622	10.5
137.13228	2.8
143.08606	0.7
144.09343	0.8
145.10124	22.0
147.08098	0.8
147.11697	5.1
149.09595	8.9
149.13261	5.0
151.11183	2.1
159.11690	8.3
161.13261	11.5
163.11185	15.8
173.13272	3.1
175.14833	7.6
177.12688	3.4
177.16402	1.7
189.12625	0.8
191.17946	9.7
201.16368	16.6
203.14302	3.2
219.17445	100.0
220.17722	1.1
229.18199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1182
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
54.60305	0.6
55.01883	1.3
55.05508	1.3
57.07081	7.6
59.05009	5.7
60.04287	0.7
61.98738	0.6
67.05511	4.6
67.93817	0.7
69.07072	5.1
69.48402	0.7
70.02957	7.4
70.27711	1.4
70.28102	1.7
72.04523	18.3
72.08142	1.3
73.02924	3.0
73.19133	0.7
74.02453	1.9
78.03407	0.8
81.07064	1.1
81.14510	0.8
81.78909	0.6
83.04955	1.5
85.06547	11.5
85.07027	1.1
86.06043	1.2
86.09717	1.5
87.04475	2.5
87.08116	2.5
90.05563	100.0
95.04984	6.5
96.08127	1.7
97.22326	0.7
98.02423	19.1
98.06072	3.9
100.03970	2.1
103.03964	0.8
103.07585	8.4
104.04266	0.8
112.07564	0.8
113.06016	3.1
116.03471	13.6
124.07605	15.8
124.08508	1.1
130.48799	0.8
131.07056	0.8
140.10707	2.4
141.36499	0.7
142.08644	8.3
156.10242	0.9
156.38402	0.7
158.10495	0.9
158.11795	15.7
160.03194	1.1
160.09712	2.1
166.08661	2.9
174.11304	2.1
184.09711	23.5
202.10764	36.5
202.14436	1.7
219.06123	0.7
220.11826	49.1
220.15410	2.8
220.17709	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1333
Annotation	Darlingine
Peak:m/z	Relative Intensity
55.01864	1.0
56.96547	1.0
57.07062	2.1
67.05505	1.2
69.03418	2.2
69.07028	0.8
69.76803	3.5
71.04945	0.7
74.41870	0.6
76.79121	0.6
79.05462	0.7
81.07047	1.5
84.04491	2.7
85.02879	2.1
86.09709	1.3
87.04469	66.1
89.84502	0.7
90.05556	1.2
91.05510	1.8
91.55920	0.6
93.07059	1.0
93.93732	0.6
94.06593	0.8
95.05016	0.9
97.02872	1.4
98.20818	0.9
98.97565	1.5
105.03377	0.8
105.07035	2.3
107.08583	1.6
109.02851	0.8
117.07053	0.8
118.06552	5.7
119.07327	5.6
121.06500	1.2
122.10470	1.0
127.03880	1.1
129.06952	0.7
129.99139	0.6
130.06598	1.0
130.57321	0.6
131.08591	0.9
132.04514	0.9
133.10109	0.7
134.09653	100.0
136.06178	2.3
137.05986	0.9
145.10172	0.8
146.06001	2.3
157.06418	0.9
157.10149	0.8
159.11737	0.9
164.10739	0.8
174.05510	1.4
174.11250	0.9
175.07608	1.0
175.11192	0.9
186.96854	0.8
192.06532	1.1
192.17494	1.3
202.18182	0.9
203.06885	0.7
204.14700	2.5
205.15892	7.6
220.06274	1.6
220.13353	95.8
220.17770	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	220.1698
Annotation	Fabianine
Peak:m/z	Relative Intensity
53.93207	0.2
57.07068	0.2
60.67310	0.1
69.61704	1.1
105.07063	0.2
106.06576	0.2
106.60295	0.2
107.08589	0.2
107.70222	0.2
118.06554	6.9
119.07320	0.2
120.08095	0.3
120.36324	0.2
130.06538	0.2
130.07597	0.2
132.08090	1.8
133.08865	1.0
134.09686	0.6
146.09628	1.8
147.10457	0.3
154.83737	0.2
160.11198	0.3
162.09158	4.3
162.10490	0.3
176.10809	2.8
176.14351	22.7
177.11430	1.0
189.15060	0.2
190.12262	2.8
191.13132	0.2
202.15919	0.7
204.13744	0.2
205.15857	0.7
220.16968	100.0
221.17262	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80271	0.5
57.07075	1.2
69.07111	0.7
69.33910	1.1
69.34312	4.2
76.53242	0.6
77.00920	0.7
82.01447	0.8
82.99857	1.5
86.46691	0.6
91.65676	0.6
100.02486	1.7
101.00880	32.6
102.76315	0.7
109.10134	0.6
111.08086	0.8
118.00376	1.8
118.03550	1.3
119.01928	100.0
119.08582	1.1
120.02045	1.0
121.01691	1.5
121.06548	1.0
129.44576	0.6
130.00397	1.0
133.10152	0.6
137.02966	23.3
139.00894	11.8
139.50909	0.9
141.51202	1.0
142.03526	2.2
143.01886	2.3
147.03207	0.8
147.04994	0.6
148.01422	7.4
148.51500	1.3
150.51703	13.5
150.52834	1.2
151.01718	2.1
157.01671	2.3
157.03513	0.7
158.57715	0.7
159.52246	5.2
160.99651	1.0
161.02963	39.6
172.08157	0.8
175.02734	3.7
175.04494	1.2
175.14838	0.9
177.00958	2.6
177.50375	1.1
177.67209	0.6
179.00708	3.8
179.04015	54.3
184.04538	1.9
186.50954	7.1
187.00949	0.8
195.51472	9.1
196.01483	1.0
198.02553	0.8
198.04329	2.0
198.06155	2.4
198.09770	0.7
202.05583	1.2
203.00633	1.9
203.03972	1.9
216.07214	1.0
221.01761	23.4
221.04906	3.0
221.06918	1.2
221.15308	0.8
221.18300	0.6
229.66641	0.6
239.03792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03908	0.7
55.01831	0.9
55.05462	1.2
55.05723	0.5
56.96509	0.8
57.03398	0.5
57.07014	1.8
57.10577	0.5
67.05444	1.3
69.03370	1.5
69.07002	1.8
71.01332	0.9
71.04938	0.9
71.42297	1.0
77.03891	0.6
79.05460	1.1
81.03374	1.1
81.07057	2.2
82.02890	1.4
83.04957	0.6
83.08580	1.1
85.02844	1.4
87.20270	0.4
91.05447	3.5
93.06970	1.7
94.06561	3.2
95.04907	0.6
95.08559	1.3
97.02849	1.3
98.97534	0.8
99.04384	0.6
101.02363	0.6
103.05475	1.1
104.04982	0.5
105.03323	0.6
105.07056	3.0
107.08552	1.6
108.95555	0.5
109.06499	0.9
109.10169	2.9
111.04389	0.5
111.08067	2.5
115.05422	1.8
117.06953	1.1
118.40076	0.4
119.04968	0.5
119.08591	3.6
121.06517	3.4
121.10152	1.1
123.08031	0.9
123.11672	1.0
128.06230	3.6
129.07001	8.7
130.06532	45.2
131.04893	0.4
131.08577	0.7
132.04463	33.5
133.06488	0.8
133.10118	1.9
134.06050	0.7
135.08041	1.4
137.05969	2.0
137.09587	1.4
139.05397	0.6
143.04951	1.0
143.08505	0.5
145.06468	1.2
147.04410	1.1
147.08046	2.6
147.09155	1.0
147.11720	1.0
149.05939	1.0
151.14897	0.6
153.09122	1.8
155.05940	0.5
157.06467	7.3
157.07637	20.6
157.10135	0.8
158.06026	65.4
159.11703	0.6
160.05249	0.9
161.06017	1.8
161.09685	1.2
161.13326	0.7
165.09146	1.5
174.06827	0.7
175.08699	100.0
175.14780	1.2
176.07098	1.8
179.10712	0.7
185.06012	3.7
186.05527	1.6
193.07011	0.6
193.08630	0.8
193.15930	2.1
193.17564	0.5
203.03423	0.5
203.06960	14.9
203.10773	1.1
203.14481	1.0
204.06581	4.1
206.16255	1.0
221.04567	1.3
221.09338	32.5
221.11813	2.2
221.15164	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	221.1174
Annotation	Aristelegone B
Peak:m/z	Relative Intensity
53.03965	0.4
55.01875	0.6
55.05505	1.1
56.96561	0.4
57.07084	0.5
67.05511	2.1
69.03429	2.5
69.07076	0.4
70.87134	0.5
71.04997	0.7
79.05495	1.7
81.07049	1.3
83.05006	0.4
85.02877	0.3
89.06014	0.8
91.05473	1.7
93.07047	1.2
95.04957	0.8
95.08611	5.2
97.02878	0.5
98.97593	0.4
103.05497	0.3
105.07037	4.5
107.04953	1.0
107.08592	2.8
108.05746	3.9
109.06528	2.6
109.10162	0.7
111.08105	0.5
113.02359	0.5
113.05991	0.5
114.32687	0.3
117.07002	0.4
117.21342	0.3
119.08582	4.3
121.06509	2.3
121.10155	1.1
123.08075	100.0
124.08401	0.4
125.05972	0.6
128.06252	0.4
129.07001	1.5
131.08548	0.8
133.06476	0.8
133.10127	2.9
135.08057	1.8
135.11688	0.3
137.06001	0.7
137.09607	0.3
138.94987	0.2
139.07568	0.3
142.07813	0.6
145.06551	0.4
147.08046	1.3
147.11703	4.2
148.46581	0.3
149.09589	0.3
153.09157	0.2
157.06462	0.4
157.10118	2.1
159.11736	1.4
160.08833	1.1
161.05975	0.8
161.09610	1.1
161.13268	0.8
175.07570	1.1
175.11198	8.1
175.14775	0.5
177.12729	0.4
179.10594	0.3
189.05515	0.5
193.12254	1.6
193.15858	0.6
203.07062	0.7
203.10678	1.4
203.14365	0.3
221.08098	1.1
221.11746	10.2
221.15071	1.5
221.17416	0.5
244.30405	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.05520	1.6
57.07062	0.7
64.27835	0.3
67.05502	2.5
67.43180	0.2
69.03436	1.9
69.07056	0.5
69.61745	1.3
69.62144	0.5
71.05000	0.8
74.55437	0.3
79.05496	1.6
81.03432	0.4
81.07067	1.2
83.04967	0.5
84.69112	0.3
87.04493	0.4
91.05479	1.7
93.07050	1.4
95.04988	1.3
95.08614	5.5
97.02901	0.4
98.20799	0.5
98.97591	0.8
103.05467	0.3
105.03444	0.3
105.07042	5.2
107.04977	0.8
107.08594	3.5
108.05737	3.6
109.06528	4.5
109.10175	0.8
109.34468	0.2
111.08074	0.4
113.02371	0.5
113.06006	0.5
117.07013	0.3
119.04928	0.6
119.08593	3.8
121.06512	2.3
121.10155	1.4
122.06034	0.3
123.08074	100.0
124.08422	0.5
125.05926	0.4
129.07019	0.7
131.08578	0.6
133.06561	1.2
133.10114	2.2
135.08073	1.9
135.11710	0.6
137.06004	0.7
137.09616	0.8
138.09213	0.3
139.07579	0.3
142.07776	1.2
143.08540	0.3
145.06461	0.5
145.10167	0.5
147.08025	0.8
147.11707	4.1
149.02362	1.8
149.06003	0.4
149.13263	0.4
151.07561	0.3
151.11128	0.5
157.10155	1.8
158.99615	0.3
159.11696	1.6
160.08815	0.8
161.05965	0.9
161.09682	0.7
161.13304	0.7
167.07013	0.4
175.08873	0.5
175.11192	9.8
175.14778	0.7
177.00793	0.3
177.12714	0.4
180.05141	0.2
189.05539	0.7
193.08496	0.5
193.12268	1.1
198.06073	0.7
203.10638	1.4
203.14275	0.9
220.14774	0.3
221.08209	0.5
221.11731	11.4
221.15343	1.1
232.45490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1536
Annotation	ar-Bisabol-9-en-7,11-diol
Peak:m/z	Relative Intensity
51.02397	0.7
53.03944	5.5
55.01865	1.2
55.05516	8.6
56.96569	3.9
57.03442	0.5
57.07066	1.1
59.05008	0.8
65.03949	1.2
67.05510	11.0
69.03444	0.8
69.07068	9.6
69.31699	1.7
69.32126	2.2
71.04991	2.3
73.06548	1.5
77.03931	1.6
79.05495	46.1
81.07056	32.1
83.04984	1.5
83.08615	5.4
85.02913	0.9
85.06538	3.6
87.04488	0.8
91.05480	34.2
93.07044	100.0
95.04962	6.8
95.08607	15.6
97.06537	2.1
98.97581	0.9
99.04446	0.5
101.06017	1.0
103.05488	0.7
105.04527	3.8
105.07034	27.8
107.08596	60.5
109.06512	4.0
109.10148	2.3
111.08074	1.2
113.05993	1.0
117.07023	4.2
119.06065	0.8
119.08581	31.1
121.06512	2.7
121.10145	13.2
123.08066	4.2
127.07544	0.8
128.06200	1.2
129.07007	2.8
131.08566	5.7
132.05132	0.5
133.10129	8.6
135.08054	1.7
135.11696	1.4
137.09662	0.7
139.07518	0.8
141.05710	1.1
141.09058	0.7
142.07735	0.7
143.08566	7.5
144.09438	0.5
145.10110	1.2
147.08070	3.4
147.11737	3.2
148.06465	0.8
149.09700	0.6
149.13194	0.7
150.06161	1.0
153.09190	0.6
157.10143	3.3
159.11700	7.3
161.09653	3.9
161.13257	25.1
165.09119	2.2
167.09102	0.9
175.02762	1.5
175.11212	5.0
175.14859	5.6
176.09595	3.1
179.10657	0.9
180.09851	0.9
185.10139	3.7
185.13251	16.4
187.60417	2.4
189.10426	2.3
192.10849	1.7
196.60878	1.1
198.10918	4.5
200.61223	1.4
203.14305	10.2
203.61678	1.0
206.16302	0.6
207.11456	3.0
209.61700	4.5
218.62244	3.1
221.12038	1.1
221.15369	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	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03947	2.5
55.01864	3.0
55.05513	9.2
56.96536	1.1
57.03430	2.6
57.07055	3.6
59.04987	4.1
65.03931	2.1
67.05504	10.4
67.07529	1.3
69.03447	8.8
69.07076	5.9
69.49266	9.0
71.05000	7.4
77.03896	1.8
79.05499	16.9
81.03429	2.9
81.07050	14.2
83.04980	16.1
83.08608	3.9
85.02874	3.7
85.06514	2.2
88.27574	1.1
91.05477	18.1
91.92286	1.3
93.06494	2.5
93.07048	40.9
95.04977	24.1
95.08058	1.8
95.08611	18.9
97.06510	3.7
99.08086	9.3
103.05452	2.3
105.03379	2.1
105.07030	15.7
107.04967	6.2
107.07880	2.7
107.08601	53.4
109.06526	6.7
109.10165	6.4
111.04441	2.2
111.08102	8.0
116.20360	1.6
117.06992	8.3
119.08598	27.5
121.06519	22.7
121.10143	15.2
123.04430	4.7
123.08061	12.8
125.05994	5.8
125.09638	3.0
129.07001	1.9
131.08598	7.8
133.06506	1.8
133.10132	7.1
135.04439	2.6
135.08058	18.4
135.10684	2.5
135.11685	31.9
137.05991	2.1
137.09590	4.3
139.03870	4.9
139.07545	18.6
141.05569	1.6
141.16519	1.5
144.09338	3.1
145.06488	2.8
145.10139	10.6
147.08083	6.4
147.11694	1.7
149.02356	9.1
149.05978	9.3
149.09613	3.9
149.13257	8.1
151.07521	3.5
153.09137	6.0
159.11699	26.6
161.09685	2.2
161.13261	4.4
162.03160	2.7
163.03920	4.6
163.07562	12.9
163.09862	2.7
163.11192	41.5
165.09071	8.4
167.07091	11.2
177.11229	2.4
177.12761	43.7
181.08606	41.9
181.12210	3.9
187.11227	9.0
187.66624	1.2
190.02568	3.7
205.12239	57.9
208.03671	2.4
223.03963	1.9
223.06018	25.1
223.13275	100.0
223.16898	3.5
225.04211	4.5
227.02724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03949	1.9
55.05516	7.7
57.03436	0.9
57.07061	1.0
59.05014	4.5
67.05501	3.3
69.03423	3.9
69.07074	8.5
70.90543	2.5
71.04983	1.0
71.56850	0.8
76.70742	0.9
79.05489	4.4
81.03409	1.3
81.07051	4.1
82.10329	0.9
83.04961	2.7
85.02893	3.8
89.06016	5.8
91.05483	10.8
93.07052	16.3
95.04964	2.8
95.08581	4.2
97.06536	1.4
97.10150	1.2
98.97588	0.8
103.05439	2.0
105.07034	35.4
105.52168	0.9
107.08591	11.9
109.06500	3.1
109.10127	1.7
115.05450	1.1
117.07015	7.7
119.08586	100.0
121.06506	8.6
121.10125	6.1
123.08057	4.0
125.09676	1.1
129.07034	2.7
130.07823	1.1
131.08549	9.5
133.10127	30.6
135.08031	3.2
135.11693	6.5
137.09647	1.5
139.07510	2.7
143.08574	1.1
144.09341	8.6
145.06465	1.9
145.10123	3.1
146.10892	2.1
147.71278	0.8
149.02365	1.2
149.05946	6.0
149.09645	5.1
149.13284	2.5
151.11176	1.2
153.09081	1.0
159.11702	54.4
161.09605	2.2
161.13261	62.7
163.07533	3.6
163.11194	3.5
165.09123	2.4
169.04498	1.1
172.08839	1.4
175.11131	1.2
177.12747	21.0
179.10609	2.0
187.11209	7.4
195.13815	1.8
205.12239	16.5
223.05994	1.6
223.11172	1.4
223.13269	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	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03934	1.1
54.73360	0.9
55.05319	0.7
55.05519	7.5
57.03423	0.9
57.07076	0.9
59.05012	4.7
67.05504	3.9
69.03436	4.1
69.07071	6.2
70.81392	1.6
71.05024	1.1
79.05501	5.6
81.03432	1.3
81.07059	4.8
83.04990	3.8
85.02893	3.0
85.06511	1.0
87.01357	0.9
89.06030	3.8
91.05483	10.7
93.07048	14.4
95.04980	4.0
95.08596	4.8
97.10152	1.2
103.05465	1.9
105.07037	34.8
107.08598	13.3
109.06515	1.9
109.10165	1.6
111.08099	2.0
117.07021	6.9
119.08585	100.0
121.06522	10.7
121.10149	5.9
123.08066	2.5
125.06020	1.2
128.06206	1.0
129.07013	2.8
130.07719	1.9
131.08569	12.7
133.09128	1.9
133.10136	32.2
135.08066	4.0
135.11681	6.5
137.09627	1.9
139.07538	2.1
144.09358	8.8
145.06436	1.0
145.10126	3.1
146.10921	2.0
147.08078	1.2
149.02318	1.5
149.06015	6.9
149.09634	4.3
149.13272	3.8
157.10115	1.0
159.11702	57.8
161.09639	2.7
161.13258	64.4
163.07527	3.0
163.11201	3.8
165.09146	2.1
172.08752	1.3
177.12766	24.7
179.10678	2.5
187.11192	9.2
205.12227	14.3
205.14000	1.3
223.06079	1.2
223.13290	13.4
234.60963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
50.73486	1.5
55.01869	1.7
55.05514	10.4
56.80138	1.5
58.43940	1.6
58.73217	1.6
59.05000	1.9
62.78601	1.5
67.05496	4.4
69.03421	6.1
69.07069	12.9
70.76425	4.6
70.76803	1.8
70.93186	1.6
71.04978	3.7
79.05483	6.9
81.07062	8.0
83.04994	11.0
83.34259	1.7
85.02885	1.8
85.06567	2.7
91.05478	16.4
92.16883	1.5
93.07047	16.6
95.04955	7.7
95.08618	8.1
97.06512	2.3
99.04465	12.6
105.07030	38.6
107.04920	3.5
107.08598	18.4
109.06522	2.0
109.10159	3.2
115.05529	1.9
117.07009	7.9
119.08585	100.0
121.06512	7.4
121.10163	11.0
123.08054	3.8
125.06002	2.0
128.06148	2.0
129.06998	3.5
131.08571	9.5
132.09305	2.0
133.10139	36.0
135.08063	7.2
135.11694	8.6
137.06053	1.9
137.09557	3.4
139.07535	2.4
142.07855	1.7
143.08588	3.2
144.09325	9.2
145.06459	2.7
145.10129	4.1
147.08055	5.0
149.02353	3.4
149.06013	5.3
149.09653	3.6
149.13269	11.1
153.12831	2.1
158.99594	2.0
159.11700	65.5
161.09625	5.0
161.13260	60.2
162.03098	3.2
163.07547	4.8
163.11241	9.5
165.09122	8.0
172.08830	2.7
177.12743	33.0
181.12257	3.8
187.11171	10.6
205.12224	26.9
223.06003	6.3
223.11227	3.2
223.13205	16.9
225.04352	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
50.80364	1.1
53.03937	2.3
55.01862	1.7
55.05514	11.5
57.03435	2.5
57.07065	2.3
59.04989	3.0
63.04873	1.0
66.35932	1.0
67.05496	9.5
67.48503	1.1
68.99786	1.2
69.03421	7.4
69.07069	5.1
71.04994	7.0
71.51601	1.5
73.70080	1.1
79.05492	14.0
81.03414	2.0
81.07072	9.6
83.04984	14.2
83.08608	3.1
85.02859	1.2
85.06538	1.2
91.05484	18.4
93.07045	41.0
95.04968	11.3
95.08618	15.5
97.06524	3.9
97.10115	1.2
98.97598	1.3
99.08102	7.9
103.05448	2.5
105.03387	2.4
105.07025	19.4
107.04946	4.5
107.08598	49.5
109.06493	4.9
109.10137	5.1
111.04399	2.2
111.08098	8.0
112.85895	0.9
117.07024	6.9
119.04929	1.4
119.08587	26.3
121.02840	1.4
121.06505	21.8
121.10149	14.2
123.04409	4.4
123.08080	14.5
125.05974	3.6
125.09612	2.7
129.07007	2.6
130.07765	1.9
131.08586	8.0
133.06541	1.2
133.10143	7.0
135.04393	3.4
135.08052	16.2
135.10707	2.2
135.11693	34.9
137.05980	1.4
137.09601	4.5
137.13277	2.2
139.03909	5.0
139.07542	24.3
141.05522	1.2
143.08510	1.4
144.09349	4.7
145.02937	1.3
145.06497	2.8
145.10135	8.2
147.08090	6.9
147.11691	7.3
149.02368	6.8
149.05995	6.4
149.09679	5.0
149.13271	8.2
151.07538	3.7
151.11139	1.5
153.05603	1.1
153.09163	6.6
153.12721	2.2
158.99654	1.3
159.08066	1.6
159.11694	33.2
161.09641	2.0
161.13240	3.7
163.03842	3.0
163.07558	12.7
163.11188	38.4
163.12552	2.2
165.09140	12.7
167.07047	5.0
172.08900	1.1
177.00742	1.4
177.12753	43.9
179.10608	2.2
180.04195	1.1
181.08601	44.1
181.12137	3.9
187.11229	7.3
193.12161	2.6
195.13734	1.4
205.12234	55.9
208.03665	1.3
223.05913	7.7
223.13286	100.0
225.04182	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	223.1329
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03954	0.6
55.01880	1.1
55.05515	4.2
55.69223	0.2
56.96587	0.3
57.03440	0.3
57.07083	0.4
59.04987	0.2
65.03942	0.8
67.05507	4.8
69.03438	0.5
69.07070	3.9
69.70121	1.0
71.05001	1.3
73.02934	0.3
73.06559	0.2
77.01583	0.2
79.05067	0.4
79.05497	4.0
80.48061	0.2
81.03421	3.8
81.03871	0.3
81.07059	8.4
81.92461	0.2
83.04984	1.8
83.08617	2.1
85.02901	2.5
85.06559	0.4
91.05474	4.1
91.06010	0.2
93.03402	0.2
93.07045	4.2
95.04971	100.0
95.08604	4.9
96.05300	0.5
97.02907	0.2
97.06534	1.4
98.20763	0.3
99.04453	0.3
99.08100	0.6
103.05529	0.2
105.03418	0.4
105.07042	2.2
107.04315	0.2
107.04972	1.2
107.08610	2.3
109.06519	3.1
109.10146	0.4
111.04471	0.3
111.08083	0.3
113.42136	0.2
117.07014	2.6
119.08589	3.7
121.06512	2.6
121.10152	2.5
121.10951	0.3
123.08067	3.4
128.06223	0.2
129.07005	0.8
130.07774	0.4
131.08614	1.2
133.10118	1.0
135.08063	1.3
135.11691	2.8
137.09540	0.2
139.07550	0.2
141.06993	0.4
141.09088	0.4
142.88521	0.2
143.08556	0.6
145.06493	0.8
145.10132	5.5
147.08051	3.8
149.02333	1.5
149.09618	0.4
149.13329	0.3
154.07790	0.3
159.11703	1.9
161.09657	1.4
161.13257	0.2
163.11188	14.6
165.09131	0.3
167.07007	0.2
167.08441	0.2
169.10155	0.9
177.12714	1.4
187.11163	1.9
187.79518	0.2
205.10393	0.3
205.12256	2.6
223.05992	0.8
223.11220	0.5
223.13252	6.0
223.16544	1.0
225.04292	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53331	0.7
51.80071	0.7
55.01877	5.3
55.05502	0.8
56.05035	1.1
56.96562	1.0
57.03439	15.3
58.99854	1.1
61.02930	10.2
63.85184	0.7
67.05499	0.9
68.05032	0.9
68.95578	0.7
69.03083	1.2
69.03431	14.3
69.07037	1.0
70.06587	2.6
71.01340	1.2
71.04987	1.4
71.50798	1.1
73.02916	31.8
78.82336	0.8
81.03423	4.2
82.99869	2.1
84.08147	3.8
85.02906	25.7
86.03697	0.8
86.09719	1.9
86.51563	0.8
87.01910	3.0
87.04482	3.8
88.02676	1.6
93.01892	2.3
94.02671	2.3
94.99835	1.8
96.02420	2.0
97.02892	21.2
97.06557	1.1
98.98480	1.1
99.01848	0.8
99.04465	2.3
100.02684	3.8
101.00890	12.3
102.02415	6.6
103.03230	1.3
103.03931	1.0
105.96342	0.9
106.02671	1.1
108.02409	3.1
109.02860	3.8
110.02200	0.9
110.06056	0.8
111.02956	5.9
112.02656	1.2
112.07601	3.2
113.00862	5.5
114.02403	3.5
115.02410	1.6
115.03178	1.4
115.03945	0.9
116.02126	1.0
117.02916	3.5
119.01924	15.0
121.03214	2.5
123.02921	8.4
123.52927	0.9
126.03436	1.6
127.02396	2.2
127.03906	8.0
129.02913	7.0
129.10234	1.1
130.03664	1.5
130.08630	1.7
131.01897	13.9
132.03436	8.7
133.03448	1.7
135.02904	4.8
136.03682	1.3
136.06178	5.3
137.02887	3.0
138.03429	16.4
138.09160	2.9
138.53473	1.0
139.02379	1.3
139.03978	1.0
140.05589	1.7
141.03932	2.4
142.03458	2.3
143.01898	24.2
144.02425	1.1
144.03450	11.1
145.03441	6.2
145.04922	2.4
147.01402	2.1
147.03951	8.6
149.54198	1.1
150.03439	1.5
153.03958	14.0
154.03589	1.7
155.01880	21.3
156.03389	1.5
157.03485	6.1
158.06619	7.1
158.97209	7.7
159.01419	2.3
159.03993	1.5
161.02907	19.0
162.03221	1.0
162.04446	4.3
164.07054	4.1
165.03973	5.3
165.05232	1.2
167.01915	5.4
169.03384	0.9
171.01364	0.9
171.05002	1.3
173.02965	28.6
174.03102	1.5
174.04497	11.6
174.54689	1.2
175.04558	1.9
176.07680	2.7
176.98279	7.7
177.02446	1.3
178.07155	2.0
178.08618	1.0
179.04028	2.0
181.03477	1.0
183.05014	32.6
183.55125	1.9
184.04599	1.9
185.02945	19.3
186.06128	1.3
187.04523	1.8
188.07684	2.6
191.03972	2.5
192.05540	100.0
192.55641	8.6
193.05469	1.0
196.00673	1.0
197.02945	2.5
200.04042	0.9
200.98329	3.1
201.02481	3.7
201.04344	2.0
201.06104	14.3
203.04016	15.4
203.56396	7.3
206.10381	1.0
209.02985	1.7
215.04005	3.3
215.56203	0.8
218.99353	5.1
219.03514	1.6
221.05013	9.6
224.04097	1.5
224.07599	9.8
224.11241	3.0
224.13191	5.1
224.23772	0.8
226.04308	1.6
227.04004	4.2
233.05179	2.1
242.08728	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	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20252	13.3
69.20667	6.7
82.94167	2.0
82.99853	9.3
97.13532	2.2
98.20744	4.2
101.00887	70.5
113.57848	2.1
119.01929	100.0
124.02464	9.7
137.02957	10.4
140.98845	3.6
142.03500	61.7
143.01871	3.4
157.33258	2.4
158.99928	7.7
160.04521	12.9
161.02963	38.6
169.75041	2.2
177.00948	24.2
179.04007	36.9
183.46808	2.4
184.04565	7.7
201.00970	3.2
202.05634	6.6
210.66039	2.4
219.02040	23.0
220.02199	3.9
233.43022	2.5
243.02071	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36980	1.2
53.60783	1.4
54.64104	1.3
65.93099	1.1
71.27066	2.4
82.99840	5.7
87.52872	1.2
99.04411	1.4
101.00887	60.9
105.03404	3.4
119.01928	100.0
120.02035	1.3
123.08026	1.8
124.02441	9.5
137.02966	15.1
140.98848	1.6
142.03505	70.7
143.01865	2.2
160.04573	12.0
161.02975	42.0
165.05106	2.8
177.00964	6.1
179.04016	48.4
184.04501	8.7
202.02512	1.4
202.05565	5.9
209.02509	1.2
219.02023	5.9
225.02451	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	225.1121
Annotation	CHEBI:79226
Peak:m/z	Relative Intensity
50.23956	0.7
53.03947	10.6
55.01867	5.0
55.05517	6.1
56.96571	1.3
57.03439	2.1
59.04990	0.9
67.05508	14.3
68.99808	0.7
69.03436	2.8
69.07072	9.7
70.41200	2.8
71.05011	4.2
71.41991	0.6
73.02927	0.9
78.24686	0.7
79.05497	7.0
81.03424	11.7
81.07053	9.1
83.01350	1.6
83.04987	2.5
83.08625	8.2
85.02903	1.3
85.06542	2.3
91.05486	17.5
93.07051	8.8
95.04961	7.4
95.08611	13.7
97.02888	14.6
97.06532	4.9
98.20860	0.8
99.00824	2.3
99.04462	2.1
99.08093	1.2
101.95038	11.0
105.03387	5.9
105.07032	16.3
107.04959	25.9
107.08565	3.7
109.02882	100.0
109.06534	2.5
109.10154	3.1
111.04453	1.8
111.08077	10.9
113.06003	2.0
115.05458	1.5
117.07022	5.9
119.04937	2.9
119.08573	5.1
119.96074	3.8
121.02837	1.6
121.06467	1.7
121.10159	2.0
123.04438	6.3
123.08062	2.7
123.11753	1.4
123.15522	0.8
125.02354	0.8
125.06057	0.8
125.09602	0.9
128.06221	5.3
129.07016	2.4
131.08592	1.3
133.06483	4.0
133.09134	1.2
133.10129	20.4
135.08102	1.1
137.09633	0.9
139.36237	0.7
141.06973	0.8
142.41547	0.8
142.97646	1.8
143.07013	0.9
143.07410	0.8
143.08578	8.0
143.09615	1.3
145.06511	4.4
145.10118	0.9
146.07191	0.9
147.04396	3.6
147.08017	2.2
147.11734	1.0
148.15961	0.7
151.07500	0.7
151.11166	1.9
153.06995	3.3
154.62865	0.9
160.98659	3.5
161.09621	32.9
161.13303	0.8
163.11119	1.6
164.38568	0.7
165.12737	2.0
169.10167	1.1
171.08057	15.4
178.99800	1.5
179.10674	7.8
183.11636	1.2
184.09401	0.9
189.09117	34.7
189.12703	1.0
193.09857	1.3
203.76874	0.8
207.10152	7.5
207.13779	2.2
225.09256	1.6
225.11195	29.9
225.14728	2.1
225.16582	1.4
225.19472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.06000	3.3
53.03935	11.0
55.01868	6.3
55.05514	24.1
56.37767	4.1
63.18233	4.1
67.05503	58.5
69.07056	14.1
69.90211	20.7
73.06532	4.2
77.03922	4.0
79.05077	6.4
79.05496	95.2
81.03446	5.0
81.07048	40.3
83.04982	22.2
83.08607	10.0
85.06514	4.5
91.05482	57.3
93.07043	100.0
95.04974	23.5
95.08639	22.1
97.06520	6.0
101.94396	4.1
101.95024	25.6
105.03378	5.2
105.07017	36.7
107.04921	4.4
107.08607	26.7
109.06496	9.0
117.06978	7.3
119.08576	25.0
119.96049	7.0
123.08054	10.0
129.06975	16.5
133.10147	7.7
143.08543	12.5
145.10103	8.1
147.08054	7.4
147.11690	67.8
148.87885	3.7
160.98615	6.6
161.09576	7.3
161.13266	18.1
171.11691	32.6
189.12735	17.3
207.13747	24.9
225.14842	25.9
225.22771	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
50.69841	1.1
51.21544	1.1
53.03934	2.0
55.05502	4.1
57.07073	2.8
66.69176	1.1
67.05499	3.1
69.07062	4.7
70.63126	2.3
70.63489	2.5
71.01375	1.3
71.04996	39.0
75.31819	1.1
79.05482	4.1
81.03413	2.4
81.07062	7.5
83.04974	4.2
83.08612	8.9
85.02876	1.4
85.06545	2.3
91.05475	5.1
93.07039	2.9
95.04954	2.5
95.08597	7.1
97.06535	13.5
99.04459	100.0
99.08071	2.4
101.94998	2.0
105.03397	3.3
105.07039	5.0
107.08598	39.2
109.06522	23.7
109.10169	2.3
111.11725	1.4
113.09655	4.8
119.04938	3.7
119.08614	3.5
121.06510	2.6
121.10161	13.5
123.08079	21.4
123.11721	18.6
125.09627	9.6
131.08586	2.2
135.27771	1.2
137.09599	2.1
137.13260	3.5
139.11198	4.0
141.12726	2.5
147.04416	4.6
147.11688	9.1
149.09613	13.4
161.13281	2.3
165.12764	17.3
167.10683	30.1
175.03873	6.8
179.14316	2.8
183.13809	44.2
189.12773	4.0
191.55760	1.2
192.04251	1.3
207.06519	8.1
207.13824	9.2
225.14847	25.6
237.36847	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03938	2.2
55.01854	4.5
55.05513	91.7
55.68162	1.8
57.03439	1.9
57.07064	3.3
67.05502	19.1
69.03426	20.8
69.07071	34.0
69.60188	1.9
69.66791	4.6
69.67195	7.2
71.04982	6.3
79.05502	14.6
81.06601	3.0
81.07061	51.1
83.04985	100.0
83.08606	4.4
85.06536	4.3
86.59886	1.7
91.05483	18.7
93.07040	34.3
95.04980	38.7
95.08603	37.4
97.06532	12.5
97.10146	2.3
99.04443	5.9
99.08073	4.1
105.03398	4.7
105.07035	26.4
107.07897	2.7
107.08599	30.7
109.06516	23.6
109.10148	20.2
111.04442	2.4
111.08096	11.8
117.06964	2.7
119.04903	5.0
119.08587	34.7
121.06510	4.6
121.09331	3.5
121.10140	39.0
123.08079	27.5
123.11706	8.5
125.05967	2.3
125.09615	7.4
129.05467	7.8
131.07695	1.8
131.08563	8.2
133.10172	12.8
135.08076	11.1
135.11722	11.0
137.09610	48.9
137.13289	2.5
139.11162	2.0
143.08601	4.0
145.10138	3.7
147.04404	6.3
147.08032	4.0
147.11674	8.7
149.09628	23.7
151.07536	2.4
153.12752	49.1
155.10658	8.0
159.11679	9.1
161.09625	1.9
161.13257	22.2
163.11162	6.6
165.09076	19.0
165.12749	14.8
167.10675	19.0
169.08649	2.3
171.11641	3.3
175.03940	4.6
177.12773	5.9
179.10519	4.0
179.14305	7.7
183.13791	7.3
189.12735	18.3
192.04128	2.3
194.30276	1.8
195.13823	38.5
207.06572	15.6
207.13797	41.6
225.09232	2.0
225.11314	2.2
225.14848	59.2
237.49947	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05502	7.1
57.07076	4.2
58.27536	1.6
59.04998	4.4
67.05509	22.8
69.03423	3.3
69.07061	3.7
69.95317	1.5
69.95628	8.0
71.05008	1.8
73.26057	1.6
79.05489	3.6
81.07068	8.0
83.04997	15.3
84.19258	1.4
85.06544	14.4
91.05461	5.2
93.07040	7.7
94.07420	1.6
95.04952	4.4
95.08611	100.0
97.06557	3.2
98.21418	2.8
99.04444	2.5
99.08096	2.9
105.03394	2.1
105.07036	8.5
107.08604	11.9
109.06535	11.3
109.10155	2.1
111.04448	6.5
113.06034	9.4
119.08577	18.1
121.06523	3.2
121.10149	10.5
123.08073	66.0
123.11682	3.4
125.09662	3.6
131.08580	2.4
133.10132	2.2
135.11700	14.1
137.09698	3.8
141.09151	3.3
147.08043	3.6
147.11656	6.1
149.09624	18.8
151.07587	2.8
151.14842	3.6
153.64799	1.8
156.09351	1.6
156.39929	1.5
161.09583	2.5
161.13283	8.1
163.11172	3.3
165.12778	5.6
167.10658	3.3
174.10524	1.8
177.38261	1.6
179.14313	4.4
189.12767	7.6
207.13831	17.5
225.14824	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05512	7.0
57.03432	2.9
57.07074	1.2
57.70694	0.9
59.04997	1.7
67.05497	4.5
69.03423	2.7
69.07050	2.3
71.04979	2.7
71.05585	2.1
79.05494	5.1
81.03413	1.2
81.07053	7.1
83.04987	51.5
83.08611	1.4
85.06551	1.7
91.05482	4.2
93.07052	5.1
95.04957	4.2
95.08602	8.5
97.06513	3.6
99.04452	2.0
99.08096	13.0
101.06000	1.3
101.94991	1.6
105.03356	2.3
105.07003	5.8
106.29623	0.9
107.04939	1.7
107.08601	10.8
109.06518	50.3
109.10159	2.2
111.04448	18.5
111.08061	1.5
113.09629	1.1
119.04930	1.4
119.08577	7.0
121.06499	5.1
121.10137	9.5
123.08072	100.0
123.11702	2.5
125.06015	1.6
125.09655	7.3
127.07555	1.6
131.08612	1.1
133.10120	1.0
135.08040	2.6
135.11703	1.7
137.06018	1.4
137.09624	4.9
141.09103	3.3
145.10141	2.1
147.08047	1.9
147.11670	3.6
149.09616	9.7
151.07532	6.8
151.11166	3.6
161.09688	2.7
161.13258	3.5
163.11197	6.4
165.09138	2.7
165.12752	11.1
167.06978	1.3
167.10661	8.0
169.08607	2.0
177.12637	1.2
179.14250	1.3
181.12206	3.6
189.12698	4.6
195.10129	1.0
207.06535	1.8
207.10234	1.0
207.13821	18.0
218.83185	0.9
220.67485	1.1
225.09305	1.2
225.11223	3.2
225.14850	17.7
225.16942	1.5
234.43716	1.0
245.59578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
53.03944	1.8
55.01868	4.7
55.05510	12.5
57.03421	2.7
57.07062	2.0
59.04988	2.0
67.05508	8.6
69.03425	5.2
69.07065	2.7
70.91051	2.2
70.91367	1.6
71.04986	3.6
79.05473	4.1
81.07060	12.0
81.72562	1.2
83.04984	41.6
83.08605	1.9
84.04493	3.7
84.39732	1.1
85.02892	2.1
85.06539	3.8
91.05471	9.8
93.07033	7.8
95.04990	5.2
95.08617	23.5
97.06554	2.1
99.04453	4.1
99.08096	11.1
100.11263	12.6
101.06006	2.7
101.95030	1.8
105.03398	4.7
105.07035	10.7
107.08612	15.7
108.43313	1.3
109.05803	2.7
109.06524	39.0
109.10150	4.3
111.04451	15.1
111.58758	1.4
119.04951	3.4
119.08591	12.9
121.06498	4.8
121.10140	11.3
123.04433	2.7
123.08076	100.0
123.11690	3.3
125.06012	2.0
125.09660	8.2
127.07584	2.8
133.06491	1.6
133.10135	4.2
135.08058	2.1
135.11690	2.6
137.09653	5.9
141.09126	3.0
145.10129	2.7
147.04410	3.3
147.07996	1.8
147.11676	6.6
149.09628	12.5
151.07545	6.7
151.11177	5.3
154.12309	7.9
161.09644	4.2
161.13277	8.0
163.11176	6.3
165.09126	2.9
165.12773	8.8
167.10707	11.1
169.08627	2.3
171.11752	1.6
171.14906	2.8
175.03995	2.6
179.10751	1.9
179.14366	3.0
181.12254	3.6
189.12755	8.1
207.06546	5.1
207.10338	1.4
207.13794	23.1
225.14642	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	227.0915
Annotation	ETHYL SYRINGATE
Peak:m/z	Relative Intensity
50.33856	0.9
53.03942	1.4
55.01883	5.8
55.05507	2.2
57.07062	0.9
59.04996	0.9
60.02574	0.7
64.67487	0.8
65.03945	6.6
67.05507	4.9
69.03429	3.5
69.07070	2.2
70.56155	1.4
70.56464	0.8
71.04994	3.4
73.02924	40.1
73.06626	0.7
79.05504	3.3
81.03397	1.1
81.07069	4.0
82.04208	2.0
85.02918	3.9
85.06556	1.8
86.09729	1.1
91.05482	2.5
93.03402	1.8
93.07066	3.9
95.04980	17.0
95.08630	3.3
97.02892	1.0
97.06520	5.3
99.04481	2.1
99.08107	3.8
100.11272	2.8
103.05508	1.2
105.04461	0.9
105.07061	2.8
107.04950	2.0
107.08606	4.5
109.06539	2.6
109.10182	1.4
110.03681	3.4
111.04445	1.6
113.09719	0.9
115.07588	1.2
119.08593	1.2
121.06570	2.4
121.10180	3.4
123.04442	9.6
123.08169	0.7
123.11743	0.8
125.02363	2.2
125.06021	3.1
125.09628	3.6
127.07550	2.2
131.08566	1.9
133.10115	4.6
135.08080	1.5
135.11749	1.4
137.05951	0.8
138.03174	2.2
139.11185	1.7
140.04695	48.6
142.02638	3.1
143.01906	1.3
143.10693	0.9
145.10121	1.7
147.11687	0.8
149.09645	2.3
149.18726	0.7
153.05486	5.2
153.09109	5.1
155.07045	71.8
163.11296	1.2
163.14934	1.0
167.07063	1.9
171.06587	2.7
171.10213	2.1
173.08116	2.1
173.09628	1.7
173.13318	2.5
179.07104	1.8
181.04967	100.0
181.08334	3.6
191.10716	3.8
191.14395	3.0
209.06104	1.1
209.08113	22.1
209.11763	1.7
209.15428	2.9
227.09120	29.3
227.12656	1.3
227.16304	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	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03959	1.2
55.01876	5.1
55.02109	0.5
55.05516	3.0
57.03453	0.6
61.02962	0.4
62.21450	0.4
63.02807	0.4
64.64673	0.4
65.03947	6.4
65.72035	0.4
67.01868	0.6
67.05516	4.2
67.05801	0.4
67.49024	0.4
69.03436	2.3
69.07088	1.8
69.49329	3.0
71.05016	1.3
72.93798	1.1
73.02924	41.6
79.05501	2.3
81.03430	1.0
81.07080	1.9
82.04175	2.1
83.05002	1.3
83.08626	1.1
85.02920	3.9
85.06539	0.7
86.09700	2.1
91.05492	3.0
93.03412	2.3
93.07055	2.9
95.04970	6.0
95.08631	0.8
97.02917	1.3
97.06531	3.2
98.97607	1.9
99.04469	1.2
99.08138	1.1
100.11261	9.1
100.44071	0.4
101.02368	0.5
103.05484	0.9
105.03442	0.6
105.04542	0.5
105.07072	0.7
107.01350	0.6
107.04964	1.4
107.08596	1.4
108.02139	0.9
109.06529	0.9
109.10200	0.7
110.03673	3.7
111.04442	1.4
111.08145	0.6
113.96409	1.5
114.05502	0.4
117.07047	0.5
119.04943	0.5
119.08627	0.7
121.06522	2.7
121.10181	1.6
123.04436	8.7
123.05323	0.5
124.05244	0.6
125.02373	2.7
125.06015	2.4
131.97467	0.7
133.10110	1.0
135.11757	0.5
137.05946	0.7
138.03160	1.5
139.03918	2.6
139.07600	0.7
140.04694	51.0
142.02605	3.2
145.10133	1.0
149.06006	0.9
149.09637	1.1
151.03937	0.5
153.05496	3.8
155.07043	73.0
158.99652	0.6
162.98958	0.5
163.11183	0.4
166.06294	0.8
167.03424	1.4
167.07071	7.8
167.10704	0.8
171.06549	3.4
173.08119	2.9
173.13228	0.6
177.05493	1.5
179.07047	3.0
179.42966	0.5
181.04968	100.0
181.08359	4.5
182.05304	1.0
182.15471	1.2
191.10619	1.3
209.08096	23.6
209.11525	1.0
209.16592	0.9
210.14897	0.9
227.09131	26.7
227.17735	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03942	2.6
55.01876	5.4
55.05510	11.6
57.03428	2.6
57.07059	1.5
60.95840	0.9
65.03919	1.0
67.05505	17.3
69.03418	1.4
69.07069	6.9
69.95025	3.9
71.04981	3.0
73.02905	1.9
79.05497	25.7
80.37309	0.9
81.03400	3.3
81.06594	1.2
81.07057	20.5
83.04987	3.6
83.08621	11.2
85.02892	0.9
85.06510	0.7
91.05482	6.7
93.07047	34.5
95.04967	5.5
95.08609	40.3
96.20169	0.7
97.02885	3.7
97.06516	3.8
97.10143	1.5
99.04458	4.8
100.11256	4.4
105.07006	5.3
107.04951	11.0
107.08598	25.2
109.06507	2.2
109.10124	2.4
111.04433	2.1
111.08069	1.6
113.96478	1.6
117.07005	8.3
119.08588	7.9
121.06507	4.8
121.10155	12.2
125.05991	3.1
125.09621	1.8
130.07742	1.9
131.08559	1.0
133.10150	1.9
135.08051	2.0
135.11696	48.8
138.90843	0.8
139.07524	1.7
143.08522	1.4
145.10132	28.5
153.12785	1.2
155.07027	0.7
163.11183	66.7
171.11694	1.2
173.09592	1.3
181.12234	15.7
195.09509	1.1
209.11717	2.7
227.12782	100.0
227.17638	3.1
228.13255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03929	1.7
54.67002	0.5
55.01873	28.2
55.05512	7.4
57.03428	2.1
57.07071	3.4
59.04978	1.0
65.03938	1.4
67.01852	1.7
67.05181	1.0
67.05511	12.9
67.79188	0.7
69.03430	5.2
69.04005	0.6
69.07071	20.3
69.98164	2.6
71.04998	6.6
71.08628	0.6
73.02913	1.3
77.03918	0.6
79.05493	13.2
81.03409	2.3
81.06602	1.3
81.07062	20.5
83.04979	4.1
83.08628	4.4
85.02853	0.8
85.06083	1.1
85.06550	15.2
86.09722	0.9
91.05491	8.3
93.07050	18.6
95.04978	7.9
95.08609	22.7
97.02861	0.7
97.06535	18.5
97.10161	1.9
98.21418	0.9
99.04468	6.7
99.08101	1.8
100.11263	8.6
101.06032	1.2
103.05459	2.7
105.07030	12.0
107.04969	4.0
107.08597	33.1
109.02835	0.8
109.06523	11.1
109.10162	3.6
111.04465	3.5
111.08104	4.0
111.11723	0.7
112.35798	0.6
113.06008	5.7
113.96372	1.8
115.07575	0.6
117.03402	0.7
117.07024	2.1
119.04962	1.0
119.08598	4.9
121.06511	10.5
121.10146	16.1
123.04416	3.7
123.07205	0.9
123.08076	13.2
123.11700	2.6
124.05204	1.1
125.05968	2.0
125.09614	2.9
127.07536	1.5
129.07011	0.9
130.06531	0.9
130.07799	0.7
131.04918	2.1
131.08556	2.6
132.08090	2.5
133.06519	1.6
133.10118	2.7
135.08064	3.4
135.11691	7.6
137.05995	3.3
137.09622	1.8
139.03876	0.7
139.07536	1.2
139.11234	2.8
139.12143	0.7
140.04674	2.2
143.08562	1.2
143.10703	0.6
145.10126	10.1
147.11655	2.6
148.05141	0.8
149.05983	4.3
149.09607	5.1
149.13196	1.9
151.03957	0.7
151.07553	11.0
151.11188	2.4
153.05449	1.0
153.09103	1.6
153.12706	0.8
155.07050	2.6
159.04434	1.0
159.09186	1.9
163.07449	0.6
163.11188	22.9
163.14845	2.0
165.12799	2.4
167.07051	37.6
167.10703	9.5
168.92220	0.7
169.08604	100.0
173.09656	2.9
173.13226	1.8
177.05501	10.1
180.07841	0.7
181.04941	1.6
181.12224	11.7
184.07570	0.9
184.16154	0.6
185.04419	1.7
185.07028	1.5
185.11696	1.8
191.10684	8.8
191.14310	2.8
199.11336	0.7
200.07104	0.8
209.08122	11.1
209.11674	7.7
209.15372	2.8
227.08699	2.3
227.12701	10.1
227.16403	2.8
227.17731	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	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01874	30.3
55.05514	15.8
57.03444	6.6
57.07079	6.4
57.25102	0.8
59.04990	2.6
65.03925	1.4
67.05191	1.0
67.05510	19.1
68.99754	0.9
69.03429	6.6
69.07071	25.3
71.05000	18.9
71.52523	1.2
72.93793	0.9
73.02897	1.6
73.06552	1.1
75.04472	2.6
79.05068	1.5
79.05497	19.9
81.03426	4.4
81.06590	1.5
81.07059	25.3
82.06545	1.2
83.05001	10.1
83.08633	8.2
84.31220	0.8
85.02888	2.6
85.06548	23.4
86.09718	5.2
91.05485	12.0
93.07047	29.9
95.04975	81.2
95.08615	29.0
95.09163	0.5
97.02876	2.0
97.05930	1.5
97.06540	30.9
97.10166	5.1
98.97586	1.2
99.03852	1.4
99.04462	22.4
99.08096	14.9
100.11266	26.5
103.05479	2.0
105.07034	22.5
107.04987	5.6
107.08603	61.9
109.02847	1.4
109.06523	21.7
109.10152	9.0
110.06028	1.8
110.45705	0.8
111.04459	6.0
111.08079	6.7
111.11697	1.7
113.06015	6.8
113.09632	1.3
113.96392	2.3
114.09180	1.2
115.05489	0.9
115.07582	4.2
117.07008	3.8
119.06078	1.5
119.08588	9.9
121.06517	13.7
121.09341	1.8
121.10153	27.4
123.04404	1.3
123.08067	16.7
123.11718	5.5
125.05985	3.4
125.09630	8.5
127.07551	10.1
128.06157	1.3
129.06979	1.3
130.07768	1.1
131.08582	5.2
131.97444	1.4
133.06503	1.5
133.10135	21.8
135.08054	17.1
135.11693	13.6
137.05957	1.6
137.09589	2.1
139.07559	8.9
139.11172	9.2
140.04654	1.1
141.11502	2.3
143.01855	1.2
143.08528	1.4
143.10687	6.4
145.10127	13.3
147.08058	1.9
147.11685	7.8
149.05981	2.4
149.09651	6.0
149.13304	4.4
151.07538	13.1
151.11209	4.7
153.09111	24.3
153.12733	3.3
155.07059	1.8
155.08481	1.5
157.08557	1.3
161.02956	1.9
163.07568	12.0
163.11186	32.2
163.14830	3.4
163.64378	3.1
165.12759	1.9
167.07051	28.4
167.10696	7.9
169.08609	100.0
171.10190	12.1
173.09604	3.4
173.13260	7.5
177.05486	2.6
180.15858	0.9
181.04918	2.5
181.12242	14.1
181.71010	0.8
182.15358	2.1
183.13782	1.2
185.11710	2.0
191.07004	3.2
191.10710	10.0
191.12231	1.5
191.12782	1.0
191.14308	9.4
199.17984	2.1
209.08160	4.7
209.11746	15.8
209.15181	15.3
210.14857	1.5
213.17793	5.3
227.06970	1.7
227.09135	1.5
227.12784	19.2
227.16212	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
50.09002	0.7
50.81261	0.6
53.03960	1.1
53.95615	0.6
54.51396	0.6
55.01875	24.8
55.05515	11.6
56.96565	0.7
57.03427	2.6
57.07078	4.3
65.03933	1.3
67.01878	0.9
67.05178	1.1
67.05508	14.7
69.03429	4.7
69.07073	18.0
69.07457	1.1
69.55522	3.5
71.04998	5.5
72.93771	0.8
73.02899	1.1
77.03909	0.7
77.93136	0.7
79.05070	1.0
79.05502	14.2
81.03412	1.8
81.06602	0.8
81.07063	15.2
83.04973	4.9
83.08622	5.5
85.06548	14.8
85.10156	0.7
91.05492	6.0
93.07053	19.3
95.04971	10.8
95.08614	33.7
97.02901	1.8
97.06539	18.5
97.10179	1.9
99.04464	7.4
99.08080	2.5
100.07626	2.0
100.11264	11.2
105.03448	0.8
105.07037	11.4
107.04947	2.1
107.08600	38.0
109.06525	9.5
109.10154	2.5
111.04467	4.7
111.08092	3.0
113.06026	5.4
113.96423	1.7
115.07561	0.7
117.07016	3.3
119.08595	5.4
121.06528	6.7
121.10159	15.0
123.04443	1.1
123.08080	12.7
123.11705	1.6
125.05997	2.6
125.09617	2.0
127.07604	1.3
127.95835	0.8
128.07062	0.8
130.07776	0.9
131.08574	3.1
131.97418	1.4
133.06483	1.3
133.10126	2.5
135.08031	2.4
135.11708	9.6
137.06096	1.2
139.07544	1.3
139.11212	3.8
140.04718	0.9
141.11433	0.9
143.08537	1.8
145.10139	10.5
147.11699	3.0
149.00775	0.8
149.05988	0.8
149.09608	4.4
149.13306	1.9
151.07559	10.4
151.11200	1.0
153.09120	2.0
153.12715	1.9
155.06984	1.4
155.08597	0.9
157.08658	1.1
157.10094	0.9
163.11183	28.1
163.14876	0.9
167.07069	3.3
167.10692	5.7
167.14328	1.1
169.08615	100.0
171.11650	0.9
173.09660	2.7
173.13222	1.5
181.04977	1.4
181.12231	13.1
182.15398	4.6
185.11708	1.7
191.10664	8.9
191.14305	1.8
199.11409	0.9
209.08115	1.1
209.11743	15.7
209.13678	1.1
209.15331	2.1
210.14928	6.9
213.03955	1.0
227.06808	0.8
227.10532	1.1
227.12766	19.2
227.16411	4.4
227.17975	2.0
227.19716	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03944	1.7
55.01872	5.1
55.05514	12.3
57.03429	2.4
57.07065	0.9
65.03918	0.9
67.05508	14.8
68.76198	0.5
69.03429	1.4
69.07067	8.3
70.42559	1.3
71.04996	3.0
73.02900	1.9
76.03204	0.5
79.05494	25.4
81.03424	3.4
81.07057	18.5
83.04990	5.4
83.08144	1.0
83.08617	11.0
84.47493	0.7
85.02909	0.7
85.06530	0.7
91.05484	6.4
93.03409	0.6
93.07046	33.6
95.04975	6.9
95.08608	41.7
97.02887	4.1
97.06528	4.4
97.10146	0.9
99.04453	5.5
100.11274	1.3
103.05459	1.1
105.07033	6.2
107.04967	10.2
107.08591	26.2
109.06511	1.7
109.10149	2.7
111.04472	1.4
111.08070	1.4
113.05994	0.9
115.05277	0.5
117.07014	8.4
119.08587	9.4
121.06503	5.9
121.10149	14.1
125.05986	2.2
127.07564	0.5
128.06123	0.7
129.06995	0.8
130.07765	1.4
133.10121	2.0
135.08072	1.7
135.11691	50.6
139.07532	2.3
143.08549	1.0
145.06461	0.7
145.10127	27.0
153.12726	2.8
163.11182	74.1
173.09650	1.1
181.12230	16.0
192.24883	0.6
209.11745	2.2
227.12781	100.0
228.13121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1279
Annotation	(?)-12-Hydroxy-jasmonic acid
Peak:m/z	Relative Intensity
50.39760	0.5
55.01875	28.0
55.05518	3.2
57.03432	1.3
57.07080	2.6
65.03944	0.7
67.05141	0.5
67.05507	9.6
69.03442	2.8
69.07070	16.7
70.90895	1.0
71.04995	2.8
72.93801	0.4
73.02919	0.6
77.42728	0.4
79.05494	7.0
81.03426	0.6
81.07056	7.3
83.04976	1.7
83.08612	0.6
85.06553	13.9
91.05493	3.1
93.07047	10.8
95.04966	2.9
95.08613	21.5
97.05930	0.9
97.06538	15.3
97.10175	0.8
99.04457	4.8
100.11261	2.1
101.06007	0.5
105.07031	9.8
107.04970	1.8
107.08601	30.8
109.06527	8.1
109.10140	0.9
111.08073	1.9
111.11716	0.5
113.06001	5.4
113.96409	0.6
115.07550	0.5
117.07018	1.4
119.06049	0.6
119.08596	2.2
121.06514	5.4
121.10155	7.5
123.08075	10.8
125.05999	1.2
125.09613	0.6
127.07578	0.7
131.08598	1.4
133.06490	1.5
135.08058	0.8
135.11716	5.4
139.07542	0.8
139.11188	1.2
139.23317	0.4
145.10123	6.5
147.11743	0.6
149.09654	3.4
151.07558	12.8
153.12799	1.2
157.08627	0.9
157.10118	0.6
163.10123	0.3
163.11191	16.4
167.10698	7.1
169.08614	100.0
170.08878	0.4
173.09622	1.1
181.12224	8.6
181.13698	0.6
185.11711	1.7
185.13210	0.7
191.10677	5.6
207.39284	0.4
209.11743	5.8
227.10542	0.9
227.12759	12.3
227.17754	1.7
246.55367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03944	7.1
53.95915	1.7
55.01875	44.3
55.05515	82.8
56.96563	3.1
57.03441	14.4
57.07071	5.6
58.75250	1.6
59.05012	11.0
67.05507	42.0
69.03420	5.5
69.07070	19.8
70.77882	3.6
70.78216	1.8
71.01352	1.9
71.05006	13.6
71.08662	2.2
72.93807	2.1
77.03946	2.1
77.64992	1.5
79.05499	50.8
81.03420	31.4
81.06590	3.8
81.07061	61.9
83.01345	43.0
83.04491	2.9
83.04987	49.3
83.08626	52.3
85.02903	15.4
85.06544	4.7
87.04473	2.1
91.05481	34.3
93.07049	72.6
93.07638	3.7
95.04960	21.1
95.08616	25.6
97.02854	8.9
97.06520	17.8
97.10179	9.6
98.97636	1.9
99.04462	6.5
100.11269	13.3
100.61308	1.7
105.07038	23.1
107.04953	26.5
107.08599	39.7
109.06525	22.9
109.10145	9.8
111.04462	15.4
111.08092	7.7
113.96423	5.6
117.07008	17.2
119.08591	26.1
121.06532	9.4
121.10156	29.8
123.08078	25.4
123.11748	2.0
125.05957	8.6
125.09622	10.3
129.07004	5.0
130.07813	3.1
131.08565	11.8
133.10120	4.6
135.08041	5.7
135.11703	46.6
136.04619	2.7
137.09576	4.5
137.67148	1.9
139.07556	3.4
143.08574	4.5
145.06467	3.5
145.10129	48.5
147.08054	7.3
149.09608	6.2
152.29727	1.7
153.12741	15.4
155.08617	6.4
157.10161	5.0
163.11188	100.0
167.07181	3.1
171.11739	4.2
173.09625	20.1
181.12216	18.3
185.13184	2.9
191.10704	17.1
197.10153	2.3
206.10674	2.6
209.11743	22.3
209.16643	2.2
227.10616	3.0
227.12703	21.0
227.17970	21.6
228.23277	3.4
232.22989	1.8
233.84280	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01870	2.8
55.05511	19.4
57.03434	12.6
57.07086	3.2
65.03938	2.7
67.05510	76.1
69.07076	25.3
70.04514	5.6
71.01354	1.5
71.04998	10.3
71.08621	1.3
78.85909	1.4
79.05500	43.5
80.05803	2.0
80.49624	1.4
81.03429	3.2
81.07062	100.0
83.04990	9.9
83.08627	15.4
85.02914	1.9
85.06554	8.2
87.25823	1.7
90.90637	1.4
91.05486	20.1
93.07051	69.6
95.04961	5.6
95.08612	26.6
97.06538	14.8
97.10141	2.1
99.08083	4.9
100.11263	6.4
105.07039	6.4
107.04961	4.7
107.08602	30.2
108.05307	3.6
109.06512	3.4
109.10199	3.4
111.08083	8.2
117.07031	13.0
119.08573	3.3
120.05579	4.4
121.06514	4.8
121.10158	18.2
123.11691	1.7
125.09704	2.4
131.08557	12.1
133.10118	12.1
135.08063	2.7
135.11703	19.5
139.11197	1.4
145.10178	1.6
149.09656	1.7
149.13268	63.0
151.11229	1.9
159.11703	28.3
177.12756	14.4
184.07164	2.0
195.13832	24.4
213.14899	2.5
227.10075	16.2
227.12671	3.6
227.17865	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03943	3.3
55.01870	3.3
55.05268	1.7
55.05516	21.7
56.33891	1.7
57.03437	12.6
57.07058	3.1
65.03944	1.7
67.05508	79.0
69.03427	1.7
69.07071	27.8
69.27193	8.0
69.27608	3.1
71.05002	9.5
71.08611	1.5
73.02928	2.2
75.35522	1.5
79.05492	39.3
81.03412	1.5
81.07062	100.0
83.04997	9.7
83.08625	17.1
85.02899	2.3
85.06554	10.2
91.05486	19.5
93.07047	74.8
95.04967	5.7
95.08605	32.0
97.06540	16.4
97.10162	3.2
99.08086	4.6
100.11278	12.2
105.04567	1.5
105.07053	7.1
107.04945	1.8
107.08601	31.7
107.42001	1.3
109.06526	3.2
109.10156	5.3
111.08096	11.8
113.06000	1.9
113.09637	2.1
117.07022	13.6
119.08556	2.5
121.06470	2.6
121.10163	23.0
123.11672	2.9
131.08569	11.6
133.10141	14.5
135.08054	4.0
135.11714	20.1
139.11183	1.8
149.13266	74.5
151.11209	2.1
157.10239	2.1
159.11703	29.0
163.11220	2.7
167.14326	3.0
171.11667	1.8
177.12761	16.7
185.13274	1.7
195.13815	27.7
209.16469	2.3
227.10402	1.7
227.12697	3.6
227.14601	1.8
227.17970	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01872	6.5
55.05514	25.8
56.41861	2.7
56.96574	3.7
57.03444	11.3
57.07068	7.2
64.28181	2.2
65.96097	2.1
67.05511	82.1
69.03410	2.5
69.07066	23.2
70.83155	5.6
71.05004	17.1
71.08626	5.0
72.93807	5.8
79.05498	36.2
81.03416	6.9
81.07060	100.0
83.04993	10.7
83.08621	21.6
85.02858	2.6
85.06536	8.9
91.05488	27.6
93.07050	66.0
95.04978	8.4
95.08617	35.6
97.06543	16.5
97.10186	8.3
99.04459	2.3
99.08100	5.3
100.11261	35.2
105.07034	9.2
106.13924	2.3
107.04932	4.5
107.08602	37.0
109.06500	4.0
109.10174	3.5
111.04418	3.8
111.08089	11.5
113.96401	7.5
117.07022	14.5
119.08609	5.9
121.06531	5.3
121.10146	16.9
122.72033	2.2
123.08044	3.6
123.11728	3.9
125.09659	5.9
129.07031	2.7
131.08562	16.8
133.10146	16.3
135.08089	4.1
135.11705	25.5
139.11206	2.5
145.10152	7.1
149.09673	3.3
149.13281	51.5
153.12714	3.3
157.10124	7.9
159.11705	24.5
163.11214	13.4
177.12756	15.3
179.08522	3.3
181.04924	3.3
181.12340	2.8
194.99937	2.7
195.13846	20.3
209.11740	7.7
209.16623	6.3
213.04005	2.2
227.07114	3.7
227.10666	2.4
227.12642	30.5
227.14853	3.8
227.17802	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	227.1642
Annotation	Blumenol B
Peak:m/z	Relative Intensity
55.01866	3.1
55.05510	13.7
57.03422	4.6
57.07060	4.1
59.04980	7.5
62.61278	1.5
65.03917	4.2
67.05515	9.9
69.03448	10.3
69.07072	12.1
69.68118	2.0
69.68430	9.7
71.04656	2.0
71.04995	22.9
73.02925	16.5
74.04188	1.4
79.05495	12.1
81.07060	21.2
83.04990	7.4
83.08621	6.2
85.02910	2.1
85.06544	8.4
85.70555	1.7
88.11829	1.6
91.04956	1.5
91.05482	8.4
93.07052	28.7
95.04973	100.0
95.08624	16.7
97.02917	1.4
97.03988	3.3
97.06540	24.1
97.10157	4.6
99.04459	14.9
99.07502	2.5
99.08102	30.8
100.11263	9.7
100.11797	1.9
104.77559	1.4
105.07034	12.8
107.08606	28.3
109.06528	25.2
109.10149	13.0
111.04465	1.5
111.08102	8.9
111.11707	1.5
113.05940	1.9
113.09637	2.4
115.07563	11.8
115.24258	1.5
117.06971	3.1
119.08580	11.9
121.10150	22.9
123.04419	4.5
123.08052	3.3
123.11743	8.9
125.08781	2.5
125.09644	33.2
127.07561	20.6
131.08548	6.3
132.36029	1.7
133.10133	37.5
135.08070	5.0
135.11691	8.7
137.09590	4.9
139.11160	12.2
140.04695	19.6
143.01888	4.9
143.10672	3.4
145.10132	5.1
147.11688	11.8
149.09668	8.1
149.13239	11.5
151.11192	10.8
153.05423	1.7
153.07925	2.4
153.09122	38.8
154.20024	1.9
155.07034	29.9
161.02939	3.7
163.14821	7.0
165.12721	3.3
167.07034	1.9
171.10164	15.3
173.13263	21.5
181.04984	38.0
182.26646	1.6
191.10628	3.1
191.14323	21.0
197.77197	1.3
199.09068	2.4
206.09694	1.8
209.08107	10.5
209.11559	2.4
209.15352	26.9
222.25079	1.8
227.08549	41.9
227.16406	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.63004	1.3
53.03919	2.2
53.09570	1.1
55.01852	4.9
55.05516	18.8
57.03412	5.5
57.07051	4.9
57.80056	1.1
59.04967	4.1
65.03923	2.3
66.09065	1.0
67.01853	1.7
67.05509	15.3
69.03438	7.3
69.07067	13.7
69.56919	6.0
71.04997	20.8
72.93777	1.9
73.02921	8.1
73.06548	1.5
75.04463	2.7
77.15582	1.2
79.05499	15.6
81.03406	2.5
81.06604	1.3
81.07053	20.5
83.04978	8.6
83.08620	11.5
85.02883	4.3
85.06551	16.3
86.09663	3.4
91.05479	12.0
93.07050	33.6
95.04972	100.0
95.08612	16.9
97.02810	2.0
97.06531	26.7
97.10177	7.6
98.97544	2.2
99.04449	15.5
99.07520	1.6
99.08100	24.0
100.11263	28.9
103.05428	2.4
105.07037	12.3
107.04893	5.0
107.08601	27.9
109.06526	19.4
109.10144	13.2
111.04415	3.9
111.08098	8.1
113.05946	1.8
113.09617	2.1
113.96369	4.2
115.07584	8.1
117.06991	3.0
119.08578	9.6
121.06511	22.1
121.10139	26.2
123.04376	4.1
123.08023	5.4
123.11726	6.9
125.05937	1.8
125.09632	15.8
127.03895	1.8
127.07575	11.7
129.06972	2.2
131.08572	10.7
133.10138	30.2
135.04398	1.3
135.08063	8.4
135.11693	9.7
137.09636	6.7
139.07539	2.2
139.11192	13.9
140.04646	9.8
143.01857	2.0
143.08492	1.3
143.10666	6.3
145.10144	6.9
147.07993	1.5
147.11667	9.3
148.05116	1.3
149.06009	8.2
149.09639	10.0
149.13275	9.2
151.11108	5.5
153.09119	28.9
153.12726	1.6
155.07040	12.6
161.02946	1.7
163.11229	7.4
163.14867	5.6
165.12675	3.6
167.07048	11.5
167.10638	3.1
169.08490	1.9
171.10190	17.1
171.11610	1.6
173.09500	1.8
173.13278	14.1
177.04099	1.8
177.05472	24.0
181.04964	14.5
181.08582	7.6
181.12149	1.8
183.13757	2.1
189.11111	1.3
191.06993	3.1
191.10684	8.0
191.14285	12.6
191.17859	1.2
194.10809	1.3
209.08073	11.5
209.11784	9.1
209.15208	21.1
227.06816	2.7
227.09045	3.5
227.12985	7.5
227.16321	64.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.42464	1.1
55.01874	15.0
55.05515	22.5
57.03437	5.7
57.07076	6.8
59.04974	4.4
65.03922	1.2
66.45892	1.2
67.05507	13.3
69.03439	5.5
69.06747	1.3
69.07072	18.2
69.78953	5.4
71.05000	17.6
73.02896	1.2
73.06538	2.0
75.04430	1.7
77.82463	1.0
79.05497	13.9
81.03391	2.7
81.07061	23.2
82.06564	2.3
83.04988	10.9
83.08622	11.2
85.06082	1.4
85.06542	15.8
86.09707	2.2
91.05485	9.1
91.58083	2.6
93.06495	1.3
93.07050	21.9
95.04971	100.0
95.08610	24.4
97.02847	2.1
97.06534	25.7
97.10139	5.0
99.04473	16.4
99.07523	1.5
99.08100	21.3
100.07587	1.5
100.09384	3.1
100.10617	1.8
100.11261	36.9
105.07028	16.2
107.04889	3.2
107.08602	40.9
109.06532	16.5
109.10162	10.0
110.06017	4.1
111.04443	5.9
111.08125	6.4
113.06045	5.4
113.09629	1.9
113.96473	1.4
115.07562	6.5
117.07005	3.5
117.13849	2.5
119.08589	8.7
121.06522	7.5
121.10153	31.6
123.04411	1.8
123.08060	10.0
123.10920	1.4
123.11710	9.6
125.05930	1.2
125.09634	12.5
127.07597	8.3
127.08423	1.9
128.07072	2.0
131.04875	1.6
131.08563	6.2
133.09158	1.5
133.10133	27.0
135.08069	7.9
135.11697	9.1
137.05872	1.4
137.09572	3.9
139.07497	3.3
139.11201	12.2
141.11502	10.0
143.08563	1.7
143.10605	7.9
143.11731	2.5
145.10104	7.5
147.11716	7.3
149.05940	3.3
149.09552	3.4
149.13283	6.9
151.07549	6.7
151.11127	4.1
153.05518	1.2
153.07957	2.3
153.09108	31.7
153.12698	1.6
154.12279	2.8
155.11217	2.5
157.08592	1.2
158.10858	1.5
162.17432	1.1
163.07544	6.5
163.11206	15.2
163.14812	3.2
163.64420	7.4
165.12762	1.9
167.07047	21.6
167.10597	3.3
169.08603	54.6
171.10162	16.1
172.15675	2.3
173.04414	1.1
173.09550	2.4
173.13280	11.0
177.05418	4.1
181.04897	2.4
181.12247	6.4
182.15413	8.7
189.47147	1.1
191.10703	7.2
191.14316	11.1
199.18002	4.6
209.08070	2.3
209.11783	11.2
209.13490	1.9
209.15247	20.5
210.14775	2.6
213.17815	16.9
225.15788	1.9
227.12975	8.2
227.16341	60.6
244.19952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1595
Annotation	Streptenol E
Peak:m/z	Relative Intensity
53.03928	0.9
54.67562	0.8
55.01864	1.5
55.05509	12.2
56.05035	26.0
57.07063	1.3
58.06584	2.8
67.05499	12.6
68.05024	6.0
69.07068	7.0
69.57635	5.5
70.02957	5.3
70.06590	28.7
71.05004	1.0
72.04520	19.8
72.08153	1.3
77.88213	0.7
79.05499	11.9
80.05008	6.8
81.03404	4.9
81.06590	1.2
81.07053	20.4
82.06590	3.8
83.04970	2.7
83.08593	3.7
84.04499	2.0
84.08124	1.7
85.06544	1.5
86.06049	1.3
91.05476	9.8
93.07042	10.7
94.06557	2.6
95.04961	4.2
95.08602	13.8
96.08127	3.3
97.06536	2.0
97.10142	1.6
98.06060	4.5
98.21509	1.6
99.08082	1.6
105.07026	8.0
106.06556	0.9
107.04938	0.9
107.08587	6.2
109.06498	1.6
109.10154	1.7
110.09636	1.2
119.08562	4.6
120.08083	1.0
121.10155	6.9
122.09676	1.2
122.10456	1.2
123.08036	2.4
123.11684	1.7
129.06969	1.8
131.08540	4.9
133.10117	2.4
138.12790	10.1
147.11742	5.4
148.11197	3.5
149.09604	5.5
154.15878	2.0
157.10085	3.7
164.14345	3.1
166.12282	17.2
174.09941	0.8
175.11188	3.1
182.08089	1.0
182.15404	61.7
184.13332	62.8
192.13815	5.9
193.12305	4.3
193.76451	0.9
200.16454	3.2
210.14888	100.0
211.13280	2.9
228.12480	1.1
228.15938	27.4
228.23222	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	228.2687
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
55.05523	0.4
56.96565	0.1
57.03443	0.1
57.06646	0.3
57.07079	5.0
58.06340	0.2
58.06584	1.5
59.07138	0.2
59.07434	0.3
60.08168	19.2
62.83144	0.1
67.05514	0.8
69.07087	0.3
69.66930	0.1
70.00675	0.2
70.01056	0.2
71.08246	0.1
71.08635	2.5
79.05479	0.1
81.07056	0.5
83.08630	0.2
85.10179	0.8
91.05481	0.1
95.08614	0.7
97.10206	0.2
105.07010	0.1
109.10149	0.7
114.21703	0.1
131.08568	0.1
133.10139	0.2
137.09537	0.1
157.45752	0.1
175.14824	0.3
184.09502	0.1
189.22600	0.1
193.15938	0.2
228.26874	100.0
229.14461	0.2
229.27325	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	1.4
53.56361	1.1
55.05518	20.3
55.14583	1.3
55.41418	1.2
57.03445	21.1
57.07066	3.3
59.04993	4.8
67.05510	100.0
69.07061	4.1
70.06623	1.6
71.04990	4.0
79.05482	2.4
81.07063	16.4
83.08625	8.2
85.06541	3.1
85.10166	1.3
85.32088	1.3
91.05505	8.3
93.07058	3.6
93.73668	1.2
95.08617	10.0
98.98473	11.7
99.00808	1.5
105.07019	7.4
107.08607	3.0
109.10163	98.7
111.08076	2.9
117.07018	3.7
119.08588	10.3
131.08580	10.9
133.10120	1.8
137.09592	4.3
141.81395	1.4
144.09346	3.3
145.10130	6.1
152.48987	1.3
155.01056	14.3
155.10674	6.9
159.11710	23.5
173.11743	34.5
173.13272	17.5
175.14833	2.1
177.10457	1.3
183.11420	1.3
187.14815	5.8
200.15582	1.4
229.12305	1.8
229.14334	40.5
229.19525	19.9
229.23434	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	229.1436
Annotation	Herbarumin I
Peak:m/z	Relative Intensity
55.05509	9.2
57.03439	19.4
57.07075	1.5
59.05004	4.2
61.82477	0.8
63.96914	0.8
65.03951	0.8
67.05508	100.0
67.68089	0.7
69.07047	2.7
70.06573	0.9
71.04976	3.6
72.78413	0.8
79.05502	1.7
81.07063	14.2
83.08627	8.0
85.06527	3.6
91.05486	5.0
93.07020	3.3
95.08622	7.8
98.20752	2.3
107.08577	1.8
109.10162	95.9
111.08080	4.2
116.56172	0.8
119.08592	6.7
137.09590	4.5
155.10669	7.7
164.98441	1.2
173.11752	32.6
195.60715	0.9
229.08411	1.2
229.14334	47.0
229.23451	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03938	3.2
55.01868	4.1
55.05515	17.6
56.46358	1.5
57.03442	12.1
57.49620	1.6
57.49903	1.9
59.04995	1.8
67.05511	43.6
69.03418	6.1
69.07082	10.0
69.72826	10.8
71.05004	3.9
79.05072	2.2
79.05496	21.1
81.03427	69.2
81.06602	1.9
81.07064	28.8
81.59268	2.3
83.04990	22.0
83.08626	28.5
85.02917	14.5
85.06552	3.3
89.50761	2.2
91.05492	21.5
93.07064	10.7
95.04987	25.2
95.08604	9.8
97.02890	2.7
97.06516	5.4
97.10157	6.2
105.07043	17.3
107.04984	3.5
107.08601	7.9
109.06525	6.0
109.10176	25.5
111.08096	15.3
119.08595	18.3
121.06569	2.4
121.10130	7.6
123.08057	3.8
129.07045	11.1
131.08580	11.2
133.06450	3.5
133.10103	8.9
137.09657	2.6
142.07828	1.9
147.08041	2.6
147.11714	12.7
149.09619	6.7
155.08578	2.8
155.10634	2.7
157.10136	14.0
159.11717	2.5
165.12717	4.4
173.11732	5.2
173.13173	3.2
175.11194	16.1
193.12257	74.1
211.13304	100.0
229.08606	3.9
229.12282	3.3
229.14317	7.5
229.17670	2.3
229.19547	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	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
50.78726	3.8
53.03917	4.3
54.29512	3.2
55.05515	21.4
56.77949	3.4
57.03428	8.6
57.07047	4.5
67.05513	32.2
69.03415	4.7
69.07084	5.0
69.71178	3.5
70.08247	12.7
79.05488	20.3
81.03424	69.3
81.07062	24.2
83.04980	29.6
83.08625	25.7
85.02908	15.3
91.05494	25.1
93.07029	11.2
95.04990	25.0
95.08608	7.5
97.06537	3.7
97.10184	3.8
105.07030	18.1
107.04976	4.5
107.08599	9.6
109.10181	14.3
111.08098	15.9
119.08637	18.1
121.10165	9.7
129.06972	9.1
131.08571	8.3
133.10121	6.9
147.11693	14.0
149.09648	6.7
157.10146	15.2
165.12804	6.7
175.11215	15.4
193.12271	67.2
211.13289	100.0
234.23358	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01868	0.4
56.67224	0.2
57.03429	0.5
58.06317	0.2
58.06602	4.8
59.07373	0.8
60.08164	6.9
66.48016	0.2
67.20039	0.2
68.05029	0.8
69.68764	0.8
69.69180	0.6
70.06595	28.8
72.08160	0.6
84.04490	0.2
84.08171	0.2
84.82246	0.2
96.08132	1.4
97.08909	0.2
98.06062	0.6
101.00875	1.7
114.05523	3.1
114.09185	1.4
116.07093	0.7
119.01929	3.3
124.07594	3.3
126.09177	0.6
126.98849	0.2
131.01913	0.4
133.03430	0.5
137.02933	0.3
142.08636	28.8
161.02902	0.4
170.08145	1.4
175.04567	0.5
183.11342	0.3
187.00945	1.3
187.02527	0.3
201.02486	0.3
205.02010	0.5
215.00305	0.3
229.15479	100.0
230.15791	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26704	0.2
55.01859	0.3
58.06349	0.4
58.06606	4.9
59.07380	1.0
60.07887	0.5
60.08170	6.1
68.05020	0.9
69.86252	0.3
69.86670	0.9
70.06599	28.1
72.08173	0.5
84.04535	0.3
85.02905	0.3
96.08146	0.8
98.06062	0.6
98.20801	0.4
99.98589	0.3
101.00858	0.3
109.48920	0.3
109.90733	0.3
114.05544	3.1
114.09193	1.4
116.07088	1.0
124.07608	3.0
126.09161	0.6
133.03452	0.3
137.57549	0.3
142.08649	28.0
170.08150	1.2
170.18857	0.2
175.04578	0.4
183.11198	0.3
217.97662	0.3
229.03317	1.5
229.15495	100.0
230.15715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.7
58.06585	2.8
67.05495	1.0
69.03430	4.2
69.07067	0.8
70.06605	4.5
71.04993	1.4
71.51459	1.6
72.08147	1.2
74.28482	0.8
75.68304	0.8
78.45460	0.8
80.83634	0.8
82.06564	1.2
82.99861	1.1
84.08136	4.4
85.02911	4.3
86.06067	2.1
86.09699	1.6
93.74263	0.8
97.02882	1.6
98.06057	3.5
98.97567	3.8
101.00866	2.1
102.01009	1.2
110.06039	2.0
112.07610	40.3
113.96399	1.1
115.02470	0.7
116.98596	1.4
119.01891	3.4
120.01995	4.5
122.04582	1.2
129.10188	0.9
130.08607	2.4
131.01884	1.2
140.05566	5.5
141.07089	1.1
142.08614	0.9
143.01863	1.1
143.08955	0.8
145.03473	1.1
152.07109	1.3
156.03352	1.1
158.06647	31.0
159.06731	1.3
161.02928	1.0
169.03467	0.9
170.06648	8.4
176.07700	11.8
178.02579	2.8
188.07695	21.7
189.07791	1.0
194.06618	2.3
194.08165	1.9
200.07649	2.2
202.02565	2.7
207.04445	1.1
212.07687	100.0
220.03619	4.2
230.08731	72.3
230.13638	6.3
230.15828	8.0
230.18103	1.3
248.03214	3.1
248.06152	1.0
253.10370	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	230.2479
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
57.06803	0.7
57.07080	13.1
58.06609	1.8
60.11351	0.3
62.06093	7.5
67.05476	0.3
70.76451	0.4
70.76769	0.3
71.08636	5.4
76.03995	0.7
78.83900	0.2
85.10192	1.9
93.02837	0.2
93.25833	0.2
96.49306	0.2
98.06065	0.4
138.05373	0.3
140.21346	0.2
143.23744	0.2
194.32861	0.2
212.23752	5.4
230.24800	100.0
231.25140	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63916	1.9
70.06581	8.8
71.01928	4.6
79.89582	1.9
84.08147	5.5
86.09686	2.7
92.91904	2.0
93.30717	1.8
101.00865	8.3
101.58510	2.0
103.00636	3.1
111.05585	5.3
116.07101	3.1
119.01934	8.9
121.01674	3.8
138.99968	2.0
142.08661	3.2
143.01778	3.0
143.08965	4.8
161.02974	3.3
171.02634	3.5
185.02965	3.9
189.00743	2.6
189.02374	5.2
199.02202	13.2
208.04504	3.5
213.03604	2.7
213.12363	5.8
230.15826	15.1
230.99077	2.6
231.04759	100.0
231.13634	2.2
231.16049	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	231.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99490	0.6
53.42410	0.5
55.01897	0.8
58.99889	2.0
61.02948	0.9
67.05515	0.8
67.88116	0.6
68.98312	1.8
69.03103	0.7
69.03426	3.6
69.07084	1.8
69.41241	1.0
69.41644	3.5
70.06603	2.2
70.99881	1.9
72.07808	0.6
72.08184	2.4
73.01419	0.7
73.02921	1.5
74.06109	0.7
77.00931	0.9
81.03434	1.3
82.99818	3.6
83.04984	0.9
84.04523	1.8
84.08155	7.3
85.01418	6.4
85.02897	3.4
85.06565	1.2
86.09708	6.1
86.99342	1.3
88.04042	0.7
91.02468	1.1
91.05472	0.6
95.04974	1.0
97.02908	1.5
97.06547	1.0
98.97562	0.8
100.07637	0.7
101.00888	34.0
103.00628	3.1
103.02454	16.2
105.00381	0.7
111.05643	0.8
112.07620	2.8
113.00886	2.0
115.02448	2.7
116.07054	0.6
117.04008	8.0
117.95996	0.7
119.01933	66.1
120.02029	1.0
121.01674	6.4
121.02504	1.1
121.03478	5.1
127.02407	4.2
127.03906	1.4
129.00333	5.9
129.07010	0.6
129.10239	3.0
130.08665	2.1
131.01912	4.9
133.03479	7.7
135.03311	0.7
135.05072	6.0
137.02966	10.6
139.02629	1.8
141.07117	0.7
142.03477	1.1
143.01901	5.3
145.03479	41.5
147.01399	24.5
147.03149	0.8
147.05130	0.8
149.02979	3.4
151.04457	1.5
155.01932	2.7
157.03468	6.6
158.06686	1.2
158.08017	0.6
159.04997	1.8
161.02980	23.5
161.04347	1.2
163.04552	16.0
165.02499	3.6
167.01918	2.8
167.04047	0.7
168.05127	1.2
171.01407	25.3
171.05086	2.5
173.02975	5.5
175.00951	0.9
175.04539	1.6
177.02557	1.1
179.02245	2.9
179.03784	3.2
180.05074	1.4
183.03593	1.0
185.02975	20.5
185.06529	1.6
187.04492	4.7
189.02464	100.0
189.06068	2.5
190.03369	0.9
191.03970	2.2
199.00929	0.7
199.14406	1.5
203.02205	1.6
203.04012	4.3
203.07506	1.1
205.05606	1.1
207.03519	20.8
208.04567	13.4
212.04050	3.3
212.07629	1.2
213.02417	1.3
213.05995	0.8
213.07903	2.5
213.12454	0.8
217.01826	0.9
219.03490	1.7
221.03290	5.0
226.05629	1.4
231.03502	36.8
231.07051	1.8
231.08858	1.7
231.13742	1.6
231.16862	0.8
249.02338	1.1
249.04814	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	231.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.6
55.01851	1.7
55.05515	36.5
57.03443	6.4
57.07059	2.6
59.04990	2.8
61.02910	1.2
62.06760	0.7
65.03942	1.4
66.91816	0.6
67.05495	2.2
68.99808	4.7
69.03433	69.4
69.84933	2.3
69.85341	1.2
71.04607	0.9
71.04994	18.7
71.08633	4.6
71.49033	0.7
72.08163	4.8
73.06551	1.6
79.05502	26.9
81.02940	1.2
81.03423	26.9
81.07059	100.0
83.01327	1.6
83.04982	10.8
83.08620	16.3
85.02911	30.4
85.06545	11.8
86.09704	3.7
87.00832	55.7
87.04467	1.3
88.56339	0.8
90.61381	0.8
91.05470	2.1
93.07024	2.4
95.08633	1.1
97.02900	9.9
97.06499	1.1
98.97561	1.0
99.04463	16.0
99.07597	0.8
99.08100	8.5
101.06006	1.6
105.01885	6.1
105.07044	1.1
107.08578	1.1
107.83195	0.8
109.02891	11.7
109.06525	57.0
111.08022	0.9
115.03957	1.0
117.09110	5.8
127.03928	20.6
127.07558	65.5
133.10146	1.4
135.11679	2.3
138.31554	0.7
143.00160	1.5
145.04950	2.5
145.08607	17.0
145.09677	0.6
147.04404	2.4
148.04727	1.5
177.12750	0.9
207.66284	0.8
213.03944	3.6
231.02922	1.3
231.04955	4.6
231.08588	9.9
231.11105	0.9
231.11624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18910	0.7
53.03932	3.6
55.05512	37.3
57.03426	3.7
57.07064	3.9
59.04992	2.6
61.14049	0.7
65.03930	1.0
67.05495	2.5
68.99776	2.8
69.03425	10.0
71.05001	7.9
71.08620	3.6
71.32291	1.8
72.08158	1.4
79.05495	24.7
81.03404	2.5
81.07056	100.0
83.04983	10.9
83.08616	13.9
85.02904	1.9
85.06546	11.4
86.09674	0.8
87.00831	43.0
95.69949	1.0
97.02903	1.1
97.06541	0.7
99.04447	1.9
99.08092	9.4
101.06035	1.2
105.01868	3.7
109.02898	1.2
109.06522	54.1
115.03933	1.5
117.09136	5.3
127.07553	65.9
145.08591	15.8
171.02930	1.6
209.07217	1.1
231.08615	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	231.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06899	0.7
53.03946	4.3
53.07442	0.6
55.01913	2.4
55.05513	16.2
56.05039	6.0
57.03481	3.1
57.07110	1.9
59.05020	1.1
59.06157	1.6
59.83403	0.6
60.04529	5.6
67.05514	10.3
68.05068	2.1
68.99809	1.4
69.03077	1.0
69.03433	31.1
69.07106	2.5
69.33537	5.7
70.02995	1.6
70.06601	8.6
71.05003	6.7
71.08674	1.5
72.08160	13.1
73.02950	1.2
77.67261	0.7
79.05497	21.0
80.05068	1.4
81.03416	12.3
81.07061	45.5
82.02989	0.8
82.06618	2.6
83.04987	5.8
83.08633	7.4
83.09037	0.7
84.04528	1.0
84.08190	0.9
85.02908	15.1
85.04023	7.6
85.06542	4.8
86.02481	2.1
86.09708	9.1
87.00832	21.7
90.05672	0.8
91.05479	3.5
93.07051	8.9
94.06641	0.8
95.05023	1.3
95.08607	7.4
96.04516	1.0
96.08167	1.7
97.02898	7.8
97.04063	2.6
97.06572	1.7
97.10232	1.9
98.06069	1.6
98.09722	1.6
99.04464	8.2
99.05627	3.1
99.08089	3.6
105.01913	2.0
105.07079	2.1
107.08589	10.0
108.08134	3.7
109.02887	7.3
109.06523	25.6
109.10168	11.9
110.09703	1.6
110.46235	0.6
111.04488	1.9
111.05611	2.8
111.08114	1.2
117.07072	2.5
117.09151	1.5
117.95985	0.7
119.08625	1.1
122.09734	3.3
123.08054	5.1
124.07635	2.1
124.11238	23.1
125.02368	0.8
125.06027	0.9
125.09646	1.0
126.09200	1.9
127.03925	11.4
127.06629	0.8
127.07557	20.8
127.08457	1.2
128.10733	6.4
134.09651	9.9
135.04395	0.9
135.08086	5.8
137.10777	0.9
140.10724	5.5
145.05003	1.2
145.08598	5.7
146.03461	0.7
147.04411	0.7
147.08096	1.5
150.09122	1.4
151.08725	0.7
151.12329	1.2
152.10716	41.4
153.10219	1.1
160.45435	0.7
163.03925	4.4
165.10277	6.2
167.11871	2.1
169.03526	0.9
169.13345	6.4
170.03703	1.0
170.11768	18.1
171.03012	1.9
177.10231	2.4
183.11250	2.1
188.04681	0.8
195.11327	22.9
203.06828	1.1
213.12354	100.0
214.08568	1.1
214.12651	1.0
214.14520	1.0
231.02884	1.5
231.04829	1.8
231.08572	3.3
231.11403	1.6
231.13416	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	231.1381
Annotation	Stevisamolide
Peak:m/z	Relative Intensity
53.03936	2.0
55.01864	1.7
55.05514	8.3
57.07067	1.1
60.98629	1.1
61.09339	1.0
64.87830	1.1
65.03947	1.1
67.05501	7.4
69.03418	2.5
69.07057	2.9
69.27290	1.1
71.53281	1.3
79.05502	13.8
81.03426	2.8
81.06593	1.9
81.07059	33.2
83.04961	1.5
83.08601	1.3
91.05480	24.3
93.06492	1.3
93.07044	19.6
95.04976	2.1
95.08612	13.4
97.06550	2.4
101.98302	1.1
103.05452	2.0
104.41611	1.2
105.07035	34.5
107.04916	1.3
107.08597	12.5
109.02870	4.8
109.06543	2.8
109.10131	4.2
115.05460	3.6
116.06200	1.8
117.07011	15.4
119.04935	2.7
119.08595	18.3
121.06491	4.2
121.10154	7.4
123.08066	1.9
128.06224	11.9
129.07014	22.8
130.07770	4.7
131.08574	31.3
132.09334	2.2
133.06543	5.2
133.10115	12.0
135.04439	2.3
135.08018	1.5
137.05952	2.4
141.06996	3.8
142.07793	11.1
143.08563	49.7
144.09265	2.0
145.06519	2.4
145.10127	36.3
146.10851	5.2
147.08026	5.7
147.11577	1.4
148.58940	1.1
149.05960	2.2
151.07565	8.5
153.07014	1.4
155.08545	6.1
156.09360	6.7
157.06532	5.5
157.10124	33.2
158.07242	1.4
159.08078	4.2
159.11694	21.2
161.05952	4.1
161.09608	7.1
161.13266	3.5
163.07564	1.5
165.06982	2.6
167.08572	1.8
169.10139	3.3
170.07249	4.8
170.10898	5.1
171.08044	8.1
171.11681	11.3
173.09605	14.7
173.13144	1.2
175.03976	7.3
175.07553	16.8
175.11169	4.2
175.14751	2.0
180.09341	4.0
183.08130	1.5
183.11703	1.5
185.09766	5.2
185.13261	79.5
187.11151	2.0
187.14850	3.3
188.01021	3.3
189.09120	8.0
189.12773	8.4
195.11676	11.5
203.03458	3.6
203.10663	10.8
203.14297	16.0
207.04866	1.2
213.12753	24.6
216.07851	1.4
231.02933	12.1
231.10359	10.4
231.13802	100.0
231.17528	3.7
231.21120	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	231.1705
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03944	0.5
55.05517	10.4
57.05823	0.9
65.74594	0.2
69.03428	1.1
70.08596	0.2
70.08941	0.9
72.08160	100.0
73.08505	0.3
79.05502	0.8
81.03429	0.6
81.07057	2.8
83.04993	0.5
83.08630	0.4
85.02922	0.6
85.06549	0.2
86.09718	5.0
87.00837	1.4
97.02887	0.3
109.02910	0.5
109.06526	1.5
117.96025	0.4
127.03967	0.4
127.07574	1.6
132.10222	3.7
135.97015	0.2
143.13524	0.2
145.08658	0.3
153.41925	0.2
185.16525	1.3
230.63324	0.2
231.08629	0.3
231.14594	0.4
231.17046	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	233.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47884	5.2
55.05507	12.3
56.05017	7.6
69.07053	5.2
72.08162	100.0
74.06084	53.6
85.02921	5.9
86.09712	54.6
93.08585	5.0
96.05798	5.7
101.00867	5.1
112.87004	4.5
118.52069	3.9
119.01860	8.4
119.20475	4.6
120.36228	5.1
132.10155	9.0
143.01949	11.5
161.02980	11.6
187.10655	4.9
187.14482	5.8
203.45009	4.9
233.00684	10.2
233.04231	15.9
233.06187	52.8
233.11929	11.2
233.15092	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	233.006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	2.9
62.25845	1.3
69.07057	1.3
69.86658	6.8
70.06573	2.6
70.99866	1.6
73.02933	2.2
74.06075	1.4
74.42846	1.4
76.01152	1.6
82.99840	10.5
84.08156	1.8
85.02907	3.0
86.09713	82.5
94.97866	1.3
97.02891	2.1
101.00892	61.5
102.05550	2.7
103.00600	1.8
103.02466	1.9
113.00886	3.6
113.73737	1.5
115.02438	27.1
115.03714	1.4
119.01926	57.3
120.02022	2.2
120.06573	3.9
121.01695	1.8
123.58904	1.5
126.08968	1.3
131.01903	10.3
133.03479	91.5
137.02948	4.7
142.03381	1.8
143.01904	22.8
149.02940	6.1
151.04561	13.0
152.04932	2.0
161.02962	27.0
163.04518	3.8
173.02971	66.1
175.04637	1.6
179.03912	1.5
184.04503	1.7
185.02954	2.6
187.04588	1.5
187.09949	1.8
189.02502	2.0
191.04018	100.0
201.02444	2.3
203.04063	2.3
214.05539	1.8
215.13864	1.9
233.05072	55.3
233.10544	5.3
233.14934	4.6
251.06123	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.081
Annotation	Salfredin B11
Peak:m/z	Relative Intensity
51.02419	0.3
53.03952	1.0
55.01872	0.5
55.05510	2.8
56.96580	0.4
57.03439	1.3
57.07079	0.6
65.03937	0.5
67.05508	1.9
69.03446	1.1
69.07067	0.5
69.64172	0.7
69.64584	1.7
71.04990	0.8
77.03928	0.5
79.05499	4.7
81.03439	0.4
81.07070	1.6
83.08605	0.5
84.03149	0.3
84.45382	0.3
89.03925	2.3
91.05492	6.2
93.07027	1.7
95.04980	2.6
95.08602	1.4
97.06524	2.0
99.04461	0.3
102.59396	0.3
102.74131	0.3
103.05473	1.3
105.03378	2.1
105.07029	3.2
106.82774	0.3
107.04958	6.7
107.08618	1.6
109.02913	0.7
109.06512	0.5
109.10221	0.9
115.05473	1.0
116.06223	0.3
117.03408	1.3
117.07012	1.6
118.26998	0.3
119.04980	0.7
119.08588	3.6
121.06522	1.0
121.10165	1.2
123.04433	0.9
123.11691	0.5
128.06219	0.8
129.07018	0.9
130.07779	0.6
131.04924	2.2
131.08580	2.5
133.02867	6.6
133.06483	0.4
133.10143	1.3
135.04414	1.1
135.08061	0.9
135.11688	0.7
137.05986	0.9
137.09622	0.6
141.07013	1.5
143.08568	1.6
144.05725	0.6
145.02858	1.6
145.06490	0.8
145.10135	3.6
147.04420	1.1
147.08064	0.7
147.11685	0.5
149.05995	0.7
149.09598	0.8
149.13271	0.4
151.03946	2.8
155.08667	0.4
157.06511	1.0
157.10138	0.5
158.03566	0.5
158.07306	1.5
159.04408	3.3
159.08060	1.7
159.11714	1.7
161.02361	3.2
161.06001	0.5
163.03963	0.8
163.11221	0.6
169.06496	1.4
169.10158	0.4
171.04379	0.5
171.08080	0.4
173.02399	0.5
173.05991	0.4
173.09607	4.0
173.13304	1.8
175.11232	0.4
176.87744	0.3
177.05489	6.6
177.09122	0.7
179.03409	7.2
185.06026	3.2
187.03873	0.4
187.07587	2.3
187.11237	1.3
187.14838	1.3
189.09059	0.6
189.12834	0.7
191.03400	100.0
191.14337	1.5
192.03735	0.4
197.05975	1.0
197.13190	0.6
200.04668	1.2
201.09142	2.8
202.05136	0.5
204.04195	3.0
205.04942	1.1
215.07047	4.9
215.10739	0.8
215.14301	1.9
215.17897	0.8
228.61548	0.3
233.08086	34.7
233.11469	2.7
233.15373	8.4
233.18951	1.9
233.23018	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
53.03952	3.6
55.01876	10.1
55.05513	8.4
56.96569	1.6
57.03412	1.8
57.07049	2.1
65.03938	2.9
67.05511	10.9
68.00929	1.5
69.03429	7.7
69.07089	7.4
69.43468	5.8
69.43896	5.6
71.04996	3.8
77.03917	2.0
77.35618	1.4
79.05505	21.5
81.03385	2.9
81.07067	11.4
83.04977	7.0
85.02924	2.1
85.06517	1.5
86.09679	2.4
89.33492	1.7
91.05496	24.8
93.07050	28.6
95.04989	14.7
95.08588	5.0
97.02887	1.7
97.06531	7.6
99.04443	6.7
103.05459	5.2
103.56167	1.5
105.07041	48.0
107.04974	15.9
107.08611	7.7
109.06547	7.9
109.10178	2.3
112.62392	1.5
115.05443	3.9
117.07027	16.8
119.04936	10.3
119.08609	15.8
121.05674	3.0
121.06510	50.1
121.10125	4.7
123.04409	2.0
125.05927	1.7
128.06233	4.3
129.07036	11.2
130.07776	5.8
131.04953	6.0
131.08575	24.8
133.02869	1.7
133.06512	11.4
133.10144	11.1
135.04401	4.0
135.08060	5.2
135.11769	1.9
137.05991	2.3
141.06981	9.5
141.11469	1.9
142.07814	1.9
143.08585	10.6
144.05652	1.9
144.09358	3.9
145.06499	15.0
145.10133	50.3
146.07227	2.1
147.08054	3.7
147.11714	2.1
149.05980	2.7
149.09601	2.6
153.06972	2.0
154.07759	6.0
155.08525	7.5
156.10194	2.1
157.06512	1.5
157.10208	3.4
158.07312	16.6
159.04375	2.5
159.08070	18.3
159.11707	28.7
160.08812	5.7
161.06009	2.5
161.09604	5.0
161.13353	1.9
161.47382	1.8
163.11182	6.2
167.08528	2.2
169.10149	15.4
169.53221	1.8
171.08069	4.3
171.11707	4.1
172.08813	6.8
173.09636	100.0
173.13226	5.9
177.05460	3.7
177.12688	2.3
179.08543	6.8
181.10152	1.7
182.07253	3.6
187.07544	2.6
187.11203	65.1
187.14775	5.5
189.09180	3.2
191.03400	23.4
191.06979	2.6
191.10661	5.2
197.09657	16.0
205.12256	5.9
215.10684	56.2
215.14264	4.5
215.17937	2.9
225.94366	1.5
233.08101	16.0
233.11719	76.7
233.15256	21.7
233.18863	7.5
234.20668	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1498
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.01890	0.4
55.05507	0.9
56.05040	15.9
57.03439	3.1
57.64693	0.4
58.06604	3.4
59.04990	0.4
67.05502	0.5
69.03424	0.5
70.09061	0.7
70.09415	1.0
71.05005	0.5
72.08147	1.0
73.02929	0.6
74.06084	100.0
75.04484	1.2
76.48166	0.3
80.99258	0.4
81.03414	1.0
83.05012	0.6
83.68710	0.3
84.04510	3.3
84.08151	1.2
85.02902	1.1
85.08455	0.6
86.09711	22.8
91.05499	1.1
95.04941	0.5
97.02892	0.9
97.06511	0.5
98.21401	0.7
98.97637	0.5
99.76650	0.4
101.00909	1.0
101.07127	2.4
103.00672	0.9
103.03960	1.0
105.06960	0.3
109.02897	0.4
111.04423	0.6
111.39281	0.3
118.06283	0.7
119.01920	2.3
119.04927	0.5
121.01679	1.2
125.04519	0.3
126.12766	0.3
129.32584	0.3
131.01859	0.4
131.08604	0.4
132.10213	20.1
133.03503	0.6
137.05975	1.0
141.13863	0.7
142.12282	0.8
143.01926	0.4
143.11853	0.5
145.03528	0.4
145.04941	0.9
145.10168	0.4
151.07532	0.6
159.07996	0.4
161.02953	0.9
161.05783	0.3
169.13354	1.7
173.01241	0.7
173.02858	0.5
187.14432	11.9
191.02235	1.9
191.03821	0.5
215.03934	0.6
215.13962	5.1
233.04800	0.7
233.12535	0.7
233.14983	15.1
245.05101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1536
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.36968	0.5
53.03930	1.9
55.01867	1.3
55.05515	4.0
57.07061	1.9
58.05566	0.6
59.04997	0.6
67.05513	2.7
69.03423	5.9
69.07052	2.2
69.86895	2.6
71.04988	1.7
75.00723	0.5
77.03941	0.8
79.05492	35.0
81.03402	0.5
81.07052	4.1
83.04975	2.9
83.08623	4.1
85.02895	0.9
85.06540	3.8
88.09055	0.5
91.05482	8.0
93.07038	7.0
95.04966	7.7
95.08609	3.2
97.06516	3.0
98.21448	0.8
98.56526	0.4
103.05478	0.6
104.82639	0.5
105.04540	0.7
105.07030	11.5
107.04955	33.6
107.08592	9.5
109.06519	2.4
109.10175	1.2
111.08075	4.7
113.05246	0.5
113.05985	1.9
115.05459	1.1
117.07009	4.0
119.08576	14.9
121.06503	2.2
121.10139	6.2
123.08053	1.3
123.11660	0.8
125.09602	1.8
129.07001	2.1
130.07764	1.7
131.04974	0.9
131.08562	13.3
133.06476	1.3
133.10127	10.1
135.08038	3.8
135.11729	0.8
137.05957	0.9
137.09631	5.1
141.07047	0.5
142.07767	1.9
143.08562	3.0
145.10124	12.9
146.10924	1.1
147.08047	14.4
147.11679	15.9
149.09628	6.4
149.13298	2.8
153.09082	1.0
155.08504	0.5
156.09303	1.5
157.10126	7.7
158.07202	0.5
158.10843	2.3
159.08000	1.5
159.11693	2.1
160.08824	2.2
161.09676	0.8
161.13304	0.7
163.07518	0.5
163.11188	4.7
163.14816	0.6
166.10995	0.5
167.08527	0.9
169.10147	0.9
171.11702	2.7
172.12419	0.8
173.09669	1.5
173.13258	11.5
175.11179	22.6
177.05415	0.7
177.09120	1.1
179.03323	0.5
179.19817	0.5
182.10951	1.4
187.11244	1.1
187.14790	4.6
189.12738	8.2
191.03386	4.6
191.14310	42.2
197.13281	3.7
197.54791	0.5
200.11954	0.6
200.90028	0.5
205.15927	0.8
215.10994	0.5
215.14325	11.1
215.17957	1.6
233.07854	2.3
233.15358	100.0
233.19073	3.1
234.15576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26006	0.6
53.03948	1.4
53.91592	0.7
55.05515	13.8
56.55654	0.7
57.03447	1.0
57.07090	3.6
65.03927	1.0
67.05508	36.0
69.03427	1.6
69.07069	10.6
69.46178	1.1
69.46584	4.2
71.04990	6.4
78.04717	0.8
79.05502	7.4
81.07059	73.6
82.07304	0.6
83.04967	1.1
83.08614	4.8
85.06535	3.1
91.05481	6.0
93.07048	7.2
93.28381	0.7
95.04958	1.6
95.08610	53.0
97.06557	3.5
97.10139	3.5
98.77721	0.7
99.08102	1.9
105.07033	9.1
107.04966	1.0
107.08608	3.1
109.06522	2.1
109.10180	5.5
113.06007	0.8
117.07020	1.3
119.04974	1.1
119.08590	9.4
121.06558	0.8
121.10137	3.6
123.08077	3.3
127.07529	0.8
130.13866	0.7
131.08575	1.3
133.10138	6.0
135.11697	13.0
137.05972	2.4
137.13258	100.0
138.13570	1.2
139.39857	0.7
145.10092	4.9
151.14842	1.1
155.14378	0.7
158.07277	0.8
159.08063	0.8
159.11636	1.4
161.13258	17.4
163.11244	2.1
169.10167	1.1
173.09615	6.2
176.17586	0.8
178.14644	0.7
179.14314	16.6
184.52126	0.9
187.11208	3.5
197.15411	4.9
215.07047	1.4
215.10620	2.4
215.16422	10.5
233.11760	3.2
233.15372	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.133
Annotation	Pterosin N
Peak:m/z	Relative Intensity
51.02374	0.5
53.03948	2.9
55.01878	3.6
55.05513	3.3
56.96568	0.9
57.07080	2.8
59.72691	0.4
63.98328	0.4
65.03936	0.8
67.05166	0.8
67.05510	7.3
67.83846	0.4
69.03091	0.6
69.03428	2.7
69.07084	2.4
69.24002	3.3
71.01344	0.6
71.04996	2.5
71.05321	0.4
71.21760	0.4
77.03918	1.0
79.05496	20.3
81.03416	1.6
81.07063	33.9
83.04990	5.4
83.08608	0.7
85.02908	0.8
85.06547	1.7
91.04893	0.8
91.05486	18.0
93.07050	39.5
95.04979	8.8
95.08607	7.3
95.09177	0.6
97.06535	11.9
98.97577	1.3
99.04471	4.2
101.06039	0.7
103.05476	1.6
105.03437	0.4
105.04521	1.2
105.07034	19.7
107.04295	0.8
107.04961	7.8
107.08597	10.4
109.02888	1.3
109.06523	27.3
109.10188	1.3
111.04451	1.0
111.08077	0.9
113.06033	0.4
115.05484	1.5
117.07009	3.5
119.04956	1.9
119.08594	13.2
121.06512	100.0
121.10149	1.5
123.04423	3.6
123.08087	3.0
125.05997	3.1
127.07556	9.9
128.06244	2.1
129.07024	5.2
130.07755	0.6
131.08585	5.0
133.06509	4.2
133.10152	5.4
135.04427	5.0
135.08054	4.7
135.11674	0.8
137.05971	5.0
137.09593	0.7
139.07558	5.0
141.06985	1.4
142.07785	5.1
143.07036	1.1
143.07242	0.7
143.08572	9.0
145.06502	1.6
145.10107	4.7
146.07298	0.5
147.04407	0.6
147.08080	4.4
147.11693	12.7
149.05951	0.6
149.09615	0.8
151.07584	1.4
153.05751	0.4
153.06972	0.6
155.08527	2.1
156.09348	4.4
157.06509	0.9
157.10138	12.7
158.07222	0.8
158.99568	0.5
159.08037	1.3
160.05235	0.6
160.08807	1.2
161.06006	2.8
161.09602	2.0
161.13260	4.0
163.07591	0.7
165.07016	1.4
165.12726	1.0
166.07791	4.3
169.10107	0.5
171.08064	1.7
171.11694	15.1
173.09659	1.5
173.13260	0.8
175.07613	0.9
175.11197	22.7
177.09120	0.6
179.07120	1.0
179.10637	1.8
181.10117	4.8
184.08772	2.2
189.09219	2.0
189.12758	19.9
191.07146	0.5
193.12245	1.5
199.11194	24.0
207.13850	1.0
211.13254	0.5
217.12248	49.0
217.15810	1.6
235.09554	1.0
235.13297	31.4
235.16866	9.6
235.20461	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	7,10-Epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.02377	0.7
53.03708	0.4
53.03951	6.3
55.01874	0.9
55.05513	3.1
56.91547	0.3
56.96565	0.6
57.03440	0.3
57.07074	3.1
58.96119	0.4
59.04998	0.5
65.03941	1.3
67.05508	19.7
69.03444	0.4
69.07074	2.6
71.04993	1.0
71.52216	0.4
77.03915	0.9
79.05497	26.0
81.03425	0.7
81.07059	6.0
83.04973	0.9
83.08627	1.2
85.02872	0.3
85.06568	0.5
91.05487	36.1
93.07048	100.0
93.28200	0.3
95.04980	6.9
95.08614	6.2
95.09187	0.6
97.06532	1.1
97.10161	0.5
99.08098	0.6
101.06052	0.6
102.07748	0.3
105.03436	0.3
105.04518	4.0
105.07038	4.7
107.08596	13.5
109.06528	0.7
109.10163	2.6
111.04459	0.3
113.06030	0.5
117.07018	1.8
119.08582	5.3
121.02862	0.4
121.06496	0.6
121.10152	18.5
123.04451	0.6
123.08080	0.5
129.07034	0.8
131.08560	3.4
133.10133	5.4
135.08054	2.0
135.11696	4.0
137.09625	0.9
139.03871	0.3
143.08588	1.3
145.10124	0.8
147.08038	0.4
147.11687	1.5
149.02344	0.8
149.09644	1.1
151.07593	0.3
151.11195	0.7
153.09155	1.0
157.10097	1.8
161.09674	0.6
161.13284	0.4
171.11719	1.0
173.13286	0.6
175.14821	2.3
179.10696	2.0
189.12810	0.8
189.16364	1.7
191.07016	0.9
193.12288	0.7
199.14816	2.7
209.86313	0.3
217.12335	0.5
217.15887	2.6
217.19347	0.3
218.11028	0.5
235.09656	0.6
235.13214	1.0
235.16933	21.1
242.09460	0.3
257.43167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.01864	3.0
55.05510	8.4
57.07072	7.1
59.05004	3.4
60.84779	1.2
67.05508	11.3
67.18731	1.2
69.03433	3.9
69.07076	12.1
69.52298	1.3
70.85789	2.4
70.86126	1.7
71.04985	5.3
74.61976	1.3
79.05489	10.2
81.07059	13.5
83.04985	2.6
83.08607	5.5
85.06540	2.3
91.05486	13.1
93.07048	19.8
94.55165	1.3
95.04968	7.8
95.08617	18.5
97.06544	9.3
98.34663	1.5
105.07032	30.3
107.08603	30.9
109.05856	1.4
109.06524	8.7
109.10161	15.6
111.08096	4.1
114.74069	1.3
117.07011	6.1
117.48952	1.4
118.34560	1.2
119.08587	96.0
121.06488	2.3
121.10155	16.0
122.72828	1.3
123.08064	4.4
123.11712	5.2
128.06253	3.5
129.07011	1.9
131.08574	18.6
133.06485	2.8
133.10136	48.5
135.08044	16.8
135.11714	11.4
137.09625	6.9
142.07755	4.6
143.08534	9.7
144.09335	2.4
145.06461	2.0
145.10135	14.2
146.07207	2.6
147.08051	5.5
147.11711	21.8
149.09621	3.7
149.13309	2.1
151.11159	7.1
156.09386	1.8
156.57529	1.4
157.10149	14.8
158.10881	3.4
159.08081	1.7
159.11693	18.4
160.08780	2.1
161.09627	71.2
161.13258	4.5
162.10384	1.5
171.11717	8.0
173.13280	23.2
175.11224	13.1
175.14833	18.9
177.12756	7.3
179.10681	13.4
184.12469	3.8
187.11206	3.2
187.14848	4.8
189.12718	2.3
189.16406	20.2
191.07018	2.6
191.14349	3.7
193.12099	1.6
193.15875	2.5
199.14832	14.3
202.13559	2.1
217.15887	100.0
235.13252	3.0
235.16936	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	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
51.02384	1.0
53.03939	3.1
55.01863	2.7
55.05513	12.8
56.96569	1.4
57.03425	2.2
57.07074	10.9
58.96119	1.4
59.04995	1.7
60.06701	1.3
65.03912	1.2
67.05510	38.7
69.07068	11.2
70.56496	3.6
71.05001	2.7
74.11812	1.1
77.03895	1.9
79.05498	70.2
81.03399	3.8
81.07063	39.3
83.04980	3.0
83.08614	7.9
85.06525	3.6
87.04471	1.2
91.05481	41.6
93.07049	78.2
95.04983	6.1
95.08611	27.4
97.06535	9.3
97.10146	3.1
99.08063	2.4
105.04565	1.9
105.07027	18.6
107.04936	2.5
107.07877	2.3
107.08601	47.4
109.06494	4.6
109.10168	8.8
111.04465	1.1
111.08079	3.4
111.11678	1.5
113.06031	1.3
117.07014	9.0
119.08589	23.8
121.02821	1.2
121.06495	3.5
121.10149	58.2
123.04436	2.1
123.08067	4.8
123.11694	2.0
125.09607	1.8
129.07014	4.9
131.08563	16.5
133.10139	24.9
135.08067	5.3
135.11694	12.4
137.09636	5.3
139.03886	2.2
139.07515	1.6
143.08556	5.5
145.10118	6.7
147.08070	2.5
147.11697	6.3
149.02335	4.2
149.09650	3.2
149.13295	1.8
151.11163	1.8
153.09093	3.0
157.10115	7.9
161.09589	1.4
161.13278	1.6
163.07541	2.4
171.11736	3.9
173.13313	7.3
175.14832	8.9
179.10660	4.5
189.12729	2.7
189.16394	10.8
191.07108	2.7
191.14253	2.2
193.12256	2.1
199.14825	13.7
207.17439	2.7
216.80481	1.1
217.12312	1.3
217.15897	13.7
235.16940	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.8
55.05502	3.2
56.05032	2.6
57.03437	4.4
58.99891	2.2
61.02906	4.0
67.05508	4.7
69.03425	4.4
69.07056	4.1
70.06580	8.8
71.01359	19.4
71.51003	3.3
72.08176	2.2
73.02917	3.7
74.02417	7.3
74.42647	1.9
75.04486	5.6
79.05504	4.8
81.03414	5.5
81.07047	5.9
81.75048	1.8
82.01441	5.6
82.73634	1.8
83.05018	2.8
84.04537	3.5
84.08128	9.5
85.02924	12.0
86.09709	5.6
87.04490	3.8
88.03974	7.2
90.32409	2.0
91.05494	2.2
93.07034	4.0
95.04939	2.6
95.08635	4.2
97.02914	6.7
98.21557	2.3
98.97578	5.5
100.02456	10.3
101.00880	4.7
103.03937	7.5
104.94845	4.4
105.03421	2.8
106.96404	2.7
107.08610	3.9
109.02862	3.1
114.04046	5.1
115.02432	3.4
117.01888	4.3
118.03553	5.2
119.01920	5.1
119.03350	1.9
120.08112	4.7
121.01648	2.6
121.06496	3.1
121.10127	3.3
123.95505	12.9
127.00381	2.4
127.03869	4.3
128.04955	4.5
129.03911	2.4
129.10226	5.8
131.01910	3.5
131.03401	18.0
132.05128	2.6
133.03473	4.4
134.95876	3.1
135.08043	2.9
135.11708	2.2
137.05983	2.9
140.83965	2.1
141.96597	2.4
143.01874	3.4
145.03448	8.0
145.04922	4.5
146.04861	5.1
146.06015	100.0
146.95975	2.2
148.97467	2.5
149.02365	2.1
149.94589	4.6
155.01895	4.9
155.54810	3.2
156.05028	4.0
156.97466	3.4
157.04962	5.9
159.02911	33.6
161.02943	6.0
168.05064	5.2
170.99017	2.4
171.99196	3.7
173.02921	8.7
176.96928	4.3
177.00468	2.4
185.02951	2.9
186.06158	4.8
190.00162	4.4
191.02339	2.7
191.03961	6.8
191.05615	5.4
191.08508	2.7
192.06497	2.4
196.04480	3.7
201.28925	2.1
208.82434	2.3
212.05995	2.9
213.06094	3.5
213.94135	4.2
214.00343	2.6
214.02486	2.3
214.05646	23.4
219.04933	4.0
219.13948	2.2
227.56898	2.2
232.06714	3.8
237.06508	4.0
237.08772	10.9
237.14914	3.6
237.22108	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93461	1.2
53.03927	3.1
55.01855	3.1
55.05504	6.9
56.96555	1.6
57.03421	3.5
57.07071	3.5
59.04980	1.8
67.05508	11.1
67.26784	1.4
69.03083	2.1
69.03432	27.1
69.07070	10.7
69.62918	6.7
71.04989	2.8
71.45412	1.3
75.89654	1.3
79.05489	11.6
81.03428	2.3
81.07063	10.2
83.01314	1.8
83.04975	6.6
83.08644	1.8
84.08123	4.6
85.02925	1.8
85.06525	2.7
86.09693	2.7
91.05481	16.3
93.06543	2.1
93.07053	17.0
95.04954	3.8
95.08610	20.0
97.02893	3.4
97.06516	3.1
98.20844	2.9
98.97575	1.6
99.04424	1.8
103.03923	2.2
103.05457	3.5
105.03357	1.7
105.07038	41.1
107.04964	5.2
107.08598	23.0
109.06506	12.3
109.10117	3.2
111.04490	2.7
113.17136	1.6
115.05435	2.8
116.06236	2.5
117.07029	10.0
119.08585	21.8
120.08099	10.0
121.06509	15.9
121.10149	13.4
122.07288	2.1
123.04450	1.9
123.08059	15.3
123.95466	2.3
125.06011	2.2
128.06178	1.8
129.06996	3.5
130.07793	5.7
130.53665	1.4
131.04912	1.9
131.08597	9.5
133.06493	5.6
133.10118	5.1
135.04402	2.2
135.08055	66.5
135.11691	4.9
137.05974	17.7
137.09543	1.9
137.50780	1.5
139.07529	2.7
141.07008	2.6
142.07741	8.0
143.08549	2.3
145.06488	6.2
145.10132	30.4
147.08043	5.9
147.11710	13.7
149.05998	8.3
149.09615	27.9
151.07539	11.7
151.11134	1.9
155.07022	2.5
157.10112	8.8
158.07274	3.9
159.08067	5.7
159.11703	2.2
160.08867	15.7
161.05998	2.5
161.09653	2.2
163.03934	2.4
163.07553	14.3
163.11180	25.0
165.12831	2.1
173.09627	20.5
173.13252	2.2
175.07600	2.0
175.11194	64.1
176.08336	1.7
177.05481	2.7
177.09090	8.5
185.10739	2.7
191.10675	100.0
192.06563	4.4
193.05244	1.5
193.08652	1.9
193.12262	15.8
195.10194	2.6
201.09106	5.6
201.12775	1.8
203.11893	1.6
209.11766	4.5
219.06306	2.6
219.10135	14.2
237.05515	1.9
237.09142	1.5
237.11172	22.6
237.14836	6.8
237.22177	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	237.1123
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
53.03950	1.3
55.01866	1.2
55.05503	2.8
57.03431	1.3
58.24853	0.7
67.05500	6.6
67.34161	0.7
69.03088	1.1
69.03434	15.9
69.07065	6.3
69.31535	5.2
71.04990	1.6
74.57814	0.8
75.48989	0.7
79.05512	6.2
81.07050	5.0
83.04974	1.9
87.04462	2.9
91.05476	9.3
93.07047	8.0
95.04984	1.4
95.08611	10.0
97.02876	1.2
97.06506	0.9
103.05478	0.9
105.07035	16.0
107.04951	2.0
107.08602	14.6
109.06532	6.8
109.10140	1.2
111.04454	1.4
111.08096	0.9
113.63260	0.8
115.05455	1.8
117.07062	4.0
119.08590	11.1
121.06508	10.6
121.10140	9.1
121.18919	0.8
122.07337	1.9
123.04411	1.6
123.08067	8.4
123.11742	0.7
125.05930	1.1
130.07800	4.2
131.08575	4.0
133.06499	2.2
133.10130	3.2
135.08060	54.1
135.11679	3.3
137.05013	1.3
137.05981	15.4
139.07545	2.9
142.07814	4.6
143.08557	1.1
145.06487	2.7
145.10132	13.1
146.07275	0.9
147.08040	2.8
147.11707	5.7
149.05978	3.4
149.09622	13.1
150.06830	1.2
151.07539	8.9
155.07024	2.3
155.08548	1.3
157.10115	3.0
158.07260	2.7
159.08040	1.3
160.08836	5.9
163.07550	14.1
163.11183	19.8
164.59467	0.9
165.09169	0.9
165.12776	1.9
167.10690	0.9
173.09619	14.2
175.07645	1.0
175.11183	26.7
177.09145	3.4
185.10770	1.2
191.10674	100.0
193.12259	10.7
195.10161	1.9
201.09102	3.1
209.11667	1.9
219.10213	9.0
219.13680	0.9
237.11183	14.2
237.14857	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	237.1123
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
51.10719	1.0
53.03938	1.8
55.01862	1.2
55.05500	5.0
57.03429	1.7
67.05507	8.1
69.03091	1.4
69.03438	20.7
69.07089	9.1
69.21509	10.1
71.05001	1.9
79.05500	7.8
81.07071	7.4
83.04983	2.4
83.08582	1.5
87.04494	1.4
91.05486	12.8
93.07043	12.2
95.04943	1.9
95.08615	13.4
97.06477	1.3
103.05457	1.2
105.07040	21.2
107.04948	2.8
107.08611	14.1
109.06523	8.5
109.10146	1.6
111.04438	1.4
117.07014	4.2
119.07947	1.1
119.08598	12.4
120.08119	1.4
121.06511	12.8
121.10150	11.9
122.07277	3.5
122.31902	1.1
123.04425	2.3
123.08076	10.9
123.11734	1.2
125.05973	1.3
129.07018	3.2
130.07802	2.3
131.08585	4.7
133.06519	2.6
133.10130	3.4
135.08064	61.2
135.11685	3.9
137.05989	19.3
137.09589	1.2
139.07541	3.5
142.07796	4.7
143.08577	1.2
145.06459	3.7
145.09047	1.7
145.10138	17.8
147.08051	2.4
147.11710	7.1
149.05989	3.9
149.09642	14.8
150.06693	1.3
151.07556	11.5
155.07022	2.6
155.08475	1.4
157.10143	4.2
158.07220	2.4
159.08067	1.9
160.08823	5.3
161.09627	1.5
163.07573	16.3
163.11197	20.9
165.09189	1.2
165.12712	1.7
173.09657	16.3
175.07649	2.0
175.11205	33.4
177.05449	1.5
177.09125	3.9
179.07010	1.0
185.10843	1.1
189.09140	1.3
191.10684	100.0
193.12263	10.5
195.10153	2.0
201.09131	3.4
201.12650	1.2
209.11659	2.0
219.10156	12.6
237.07430	1.4
237.11186	14.7
237.14954	3.1
237.18388	1.1
237.22141	1.7
239.25902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1485
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
55.01863	1.0
55.05516	2.0
57.03436	0.5
57.07068	0.9
62.92491	0.3
65.03938	0.7
67.05510	3.3
69.03407	0.7
69.07070	2.3
69.23821	0.4
71.04974	1.1
71.52317	0.4
71.52822	0.6
79.05495	3.5
81.03421	0.8
81.07053	8.1
83.04969	1.1
83.08616	1.7
85.06543	0.6
91.05489	2.6
91.62753	0.4
93.07050	3.4
95.04971	7.9
95.08613	3.7
97.06508	0.7
97.10133	0.6
97.28514	0.3
99.04476	0.4
105.03391	0.4
105.07019	2.1
107.04958	1.7
107.08593	1.9
108.05720	6.3
109.06518	17.3
109.10161	1.1
111.04498	0.5
111.08086	0.4
113.51071	0.3
117.07073	0.5
119.08582	0.9
121.06489	2.9
121.10138	1.3
123.04440	0.6
123.08109	0.6
123.11692	0.5
128.39679	0.4
129.07047	0.4
131.04865	0.4
131.08525	1.6
133.10120	1.0
135.08047	1.3
135.11674	0.8
145.10115	0.9
149.02327	3.5
149.13252	0.5
159.11699	1.1
161.09694	0.4
163.03851	0.5
173.13284	0.7
177.05469	0.6
177.12788	1.3
191.10612	0.4
191.14380	0.4
192.06680	0.7
193.04993	2.3
194.10669	0.4
195.11751	0.4
201.12769	0.8
219.13809	1.8
237.07611	3.3
237.14842	100.0
238.15138	1.0
257.78455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1074
Annotation	Fumariflorine
Peak:m/z	Relative Intensity
51.82602	0.4
55.05508	0.6
56.30006	0.4
56.90756	0.4
56.96568	0.5
62.45951	0.4
69.55956	2.4
72.08166	1.0
79.05507	1.6
79.88720	0.4
81.03439	0.5
84.04499	0.5
84.08143	1.7
85.02884	0.4
86.09719	1.1
89.06001	0.5
90.05559	0.8
91.05475	2.4
93.07005	0.4
98.20737	0.5
98.97561	0.4
103.05454	3.1
105.07032	14.9
106.06558	0.9
107.04958	1.3
108.53190	0.4
115.05453	2.5
117.05759	5.0
117.07043	0.4
119.07332	5.2
120.08074	1.0
129.10274	0.6
130.06541	4.7
131.04932	1.4
132.08093	80.1
135.04413	0.5
135.08060	5.3
136.06186	1.3
142.93112	0.4
143.00119	0.4
143.11739	0.4
149.05978	0.4
150.09169	0.6
154.94185	0.6
163.03883	1.4
163.70816	0.4
172.95264	1.3
178.08630	4.6
192.10194	100.0
193.10649	0.4
220.09923	0.6
220.11943	0.5
238.10750	8.8
238.12907	0.6
239.08890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93762	0.7
69.03429	1.1
71.12852	1.6
71.42962	0.8
73.02930	1.2
79.05485	2.6
81.87595	0.8
84.08147	2.2
86.09705	1.7
91.05470	2.3
103.05464	3.3
105.07032	16.6
106.06574	2.1
106.07361	0.9
107.04951	3.0
110.09664	0.8
115.05435	2.8
117.05779	4.9
118.06588	1.0
119.07314	5.1
119.08642	1.1
120.08122	1.1
121.06546	0.8
130.06517	5.6
131.04977	1.3
132.08096	88.9
135.08058	6.2
136.06203	2.0
136.08493	1.0
136.93112	1.4
150.09010	1.0
154.94196	2.7
163.03920	1.1
172.95242	3.2
176.11453	0.9
178.08621	5.3
190.96272	1.5
192.06644	5.1
192.10194	100.0
214.96376	1.2
232.97475	1.6
238.10840	11.3
238.22319	0.8
239.08919	2.2
251.20164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1643
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
50.63018	7.4
55.05502	32.1
57.07066	17.1
58.68935	7.0
59.04984	8.4
65.94214	7.4
67.05505	62.5
69.07056	29.7
70.10377	30.6
71.05010	38.2
79.05483	42.7
81.03403	14.6
81.07062	69.7
83.04971	22.4
83.08622	18.3
85.02878	9.2
85.06529	16.0
89.06032	42.5
91.05487	60.4
93.07038	68.7
95.04982	69.4
95.08604	69.0
95.53761	7.1
97.06549	49.8
97.55698	7.0
99.04465	62.3
99.08095	9.3
105.03383	26.2
105.07021	46.2
107.04989	47.8
107.08593	28.0
109.06464	9.6
109.10143	26.1
111.04413	21.5
111.08058	9.8
117.07022	16.7
119.08579	43.9
121.06482	19.3
121.10133	13.2
123.08008	9.6
129.07025	17.3
131.08562	19.1
133.06493	23.9
133.08583	19.3
133.10127	10.2
135.07939	8.7
143.08534	21.4
145.10127	21.6
147.08037	12.5
147.11708	13.4
149.54758	7.3
155.08519	12.7
157.10121	12.7
159.11725	15.2
161.13283	27.9
163.11194	17.7
165.09145	10.4
169.10124	10.0
175.11130	8.6
175.14874	10.8
177.12732	19.0
179.14301	56.6
183.11595	10.2
185.13277	14.9
197.13289	19.3
203.14288	17.9
221.09607	9.4
221.11859	11.7
221.15349	100.0
239.06975	13.1
239.08885	89.6
239.10837	16.9
239.18172	72.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0868
Annotation	Phomonitroester
Peak:m/z	Relative Intensity
69.03046	0.4
69.03430	14.6
69.84731	1.9
80.05019	1.9
87.04470	34.4
91.05443	0.6
97.02893	0.5
98.20842	0.8
106.06567	0.5
108.04482	3.8
111.03173	3.4
126.05524	15.1
134.06049	2.5
135.06795	3.0
138.05537	2.1
150.09077	0.5
151.07556	1.2
152.07076	4.2
154.04999	28.3
162.05536	2.6
163.06313	0.6
166.08650	3.5
176.07059	1.0
179.07059	1.1
180.06523	0.5
194.04498	0.5
194.08150	11.3
212.09178	2.5
222.07625	18.9
223.83203	0.4
240.08675	100.0
255.88376	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1595
Annotation	R-Salbutamol
Peak:m/z	Relative Intensity
55.01876	5.9
55.05509	0.8
56.05034	0.6
67.05524	2.1
68.05042	2.4
68.05346	0.4
69.03432	1.3
69.07070	11.2
69.97616	0.6
69.98011	1.2
70.02943	1.4
70.06596	13.3
71.04995	15.3
79.05495	3.2
80.05003	1.1
81.07063	3.4
82.06564	0.8
83.04964	0.9
84.02124	1.2
84.04497	0.8
84.08147	0.6
86.06075	3.3
90.20800	0.4
91.05482	1.1
93.07037	1.0
94.06564	1.3
95.04958	0.5
95.08589	0.8
96.04469	2.0
96.08134	19.0
97.05257	1.6
97.06528	1.5
98.06073	1.0
98.09698	6.5
105.07024	1.0
106.06562	4.4
107.08599	1.9
108.08127	4.3
109.06525	0.7
109.10153	1.3
111.04449	0.6
112.07566	0.6
119.08607	0.6
120.08107	1.0
122.06038	7.8
122.09658	0.8
124.07596	55.2
124.11170	1.0
125.08385	4.3
126.09137	1.0
134.06029	0.7
135.08098	0.7
136.07562	1.6
137.09604	0.6
140.07060	8.1
148.07513	0.5
150.12793	5.3
151.72287	0.4
152.07054	3.1
152.10695	1.7
153.07854	7.7
153.09081	0.8
154.08656	0.8
166.08705	0.6
176.14354	3.2
186.12701	0.5
194.15417	7.7
204.13843	6.7
222.14894	100.0
240.06674	0.7
240.09126	0.8
240.15977	4.6
240.19548	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
53.24021	0.5
55.01876	4.0
55.05513	8.4
57.03418	1.8
58.64372	0.5
63.40182	0.5
67.05507	9.6
69.03413	1.1
69.07073	5.1
70.19989	1.6
71.04991	2.7
73.02925	0.8
79.05497	15.8
81.03429	2.6
81.07064	13.0
81.64870	0.5
83.04974	2.3
83.08630	5.2
85.06523	0.8
91.05482	3.9
93.07046	21.9
95.04949	2.6
95.08611	23.1
97.02892	2.6
97.06541	2.9
99.04459	3.3
105.07024	4.6
107.04981	7.5
107.08601	16.6
109.06513	1.8
109.10133	1.9
111.01609	0.5
111.04431	1.1
111.08049	0.7
113.06035	0.6
115.05415	0.6
117.07004	5.6
119.08593	5.3
121.06536	3.7
121.10139	8.1
122.76445	0.6
125.05987	2.5
127.07542	0.6
130.07808	0.9
133.10097	1.9
135.08107	1.4
135.11697	32.6
139.07549	1.1
145.10126	18.8
145.75587	0.5
153.12759	1.1
163.11191	46.5
173.09627	0.9
181.12250	10.4
209.11743	1.8
227.12790	100.0
231.50943	0.6
241.14313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1549
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
51.89927	0.2
55.05515	0.4
58.06604	16.0
60.01966	0.2
70.06593	2.4
71.42546	0.2
72.08179	0.3
73.02908	0.5
74.43752	0.2
81.03419	0.4
84.07640	0.5
84.08144	8.1
85.02902	0.6
85.06544	0.2
90.42195	0.2
97.02882	0.5
98.06076	0.4
98.09695	1.3
100.11260	0.4
101.00903	0.5
114.05549	0.5
119.01890	0.3
127.03927	0.3
128.10721	3.7
143.01863	0.3
144.10172	1.0
152.10707	0.3
155.01997	0.3
168.10242	0.6
173.02896	0.4
178.05763	0.3
196.06731	0.2
196.09727	4.3
198.98553	0.3
210.07390	0.8
213.15985	0.5
241.15482	100.0
242.15738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.0
55.22457	0.7
56.05051	0.8
56.96566	1.7
57.07054	0.8
60.02762	0.7
69.03446	0.9
69.07063	1.6
70.60518	2.4
73.02942	1.3
79.59472	0.8
81.03426	1.4
83.06088	2.7
84.04495	1.9
84.08126	2.8
85.02898	2.3
86.09708	3.7
86.49203	0.9
88.07636	0.8
91.05495	1.3
98.97590	1.8
101.00058	0.8
109.02908	1.2
112.03749	6.1
116.98555	1.5
123.79652	0.8
124.03929	1.7
126.05520	2.4
129.10222	2.4
137.05975	2.4
150.05569	1.1
153.05234	4.6
164.07153	0.8
192.06543	1.8
196.06120	0.8
197.12697	0.8
218.94487	0.9
224.09055	7.8
242.10023	100.0
242.15102	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	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
65.45898	0.1
69.54459	0.6
74.71123	0.1
79.60734	0.1
82.99827	0.6
97.39830	0.1
98.21490	0.1
98.97731	0.1
101.00886	6.9
107.38489	0.1
116.98846	0.3
119.01926	9.7
120.02021	0.1
122.38061	0.1
122.97868	0.2
124.02420	0.1
125.48991	0.1
134.99918	0.5
137.02972	1.1
140.98830	1.5
142.03505	0.2
157.02005	0.1
158.99898	4.8
159.99928	0.1
160.04601	0.1
161.02899	0.1
164.98831	0.1
165.99730	0.3
175.03056	0.5
177.00960	19.2
178.01045	0.4
179.94890	0.1
179.99077	0.2
182.99844	1.0
193.04083	0.2
194.06450	0.1
195.01912	0.2
197.02928	0.2
199.03110	0.2
200.02568	0.2
201.00922	3.7
201.02464	0.4
202.01091	0.3
215.99496	0.1
217.04088	3.3
219.02013	24.3
219.94571	0.5
220.02118	1.6
220.04327	0.2
221.02316	0.2
224.00105	0.1
225.00815	2.6
227.99535	0.2
234.00642	0.5
237.95424	0.1
237.98819	0.1
238.03259	0.1
242.03543	0.4
243.01987	12.1
244.02173	0.2
261.03064	100.0
262.03238	1.2
263.03671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58054	1.0
51.02124	0.9
51.02388	1.4
53.03936	2.5
53.41069	1.0
54.56013	1.0
55.01871	2.2
55.05497	0.8
56.96561	2.0
57.03432	1.7
58.64039	0.8
61.02935	10.4
63.82951	0.9
64.46789	0.8
65.03947	5.9
67.05508	6.0
69.03437	2.7
70.06605	1.9
70.78792	2.7
73.08492	0.9
77.03905	1.1
79.05494	7.5
81.03429	2.2
81.07044	6.0
82.04197	2.9
83.04980	1.5
84.04484	2.2
85.02897	4.9
86.09717	3.5
91.05495	17.7
93.03410	2.5
93.07061	1.2
94.04207	2.0
95.04979	14.6
95.08623	1.0
97.02902	2.6
97.06530	2.5
98.97622	1.8
99.04475	1.5
101.06017	1.3
104.54111	1.0
105.03407	2.8
105.04519	1.4
107.04977	8.8
108.02077	1.7
109.06516	13.5
110.03677	3.4
111.04449	3.4
117.06984	1.2
119.04955	6.7
119.08600	3.3
121.06536	1.6
121.98028	1.0
122.03606	1.0
123.04427	16.8
123.08065	1.0
125.02385	5.4
125.06004	1.9
131.05028	1.0
133.02859	11.3
133.10199	1.1
135.04446	4.6
137.05988	23.5
138.03098	1.7
139.03889	1.1
140.04692	94.5
141.07048	1.0
142.02589	2.1
146.03645	1.0
147.04449	4.9
147.08029	2.2
151.03877	1.3
152.04691	2.0
153.05498	4.0
155.07045	100.0
158.99640	1.0
159.69568	1.1
161.09607	5.1
163.03944	2.5
164.04721	1.0
165.01855	1.4
165.05493	18.4
165.09094	1.2
167.07037	2.2
171.06548	2.4
173.08139	4.5
175.05017	1.2
179.07051	12.0
179.10698	2.8
180.04207	16.7
181.04973	75.6
183.06540	3.5
184.03688	1.1
189.00833	1.2
189.09149	2.6
193.04974	24.2
195.06561	11.4
197.08089	10.7
197.13289	0.9
207.06534	27.1
207.10210	4.0
222.04747	1.9
225.07597	23.5
225.11070	2.4
231.05183	6.6
231.55421	1.5
243.08635	20.8
243.11108	2.1
249.86383	1.0
253.03819	1.0
254.01086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03941	3.6
55.01859	2.4
55.05511	1.1
56.96562	1.1
57.03436	1.2
58.89455	0.9
61.02936	12.6
65.03941	8.1
67.05514	6.4
69.03431	2.2
69.07070	1.2
69.76043	0.9
70.65054	1.9
70.65454	2.2
71.62006	0.9
77.03914	1.6
78.04705	1.3
79.05500	7.0
81.03437	1.7
81.07054	7.4
82.04210	1.5
83.04975	1.3
84.04498	1.6
85.02900	4.0
86.09706	2.8
91.05478	18.9
93.03407	2.3
93.07041	2.0
94.04177	2.0
95.04972	14.4
95.08611	2.0
96.25714	0.9
97.02901	4.1
97.06522	2.9
98.97590	2.3
99.04454	1.2
101.06002	1.6
105.03391	3.6
105.07031	2.5
107.04949	9.2
108.02084	1.2
109.02894	1.5
109.06517	13.9
110.03675	2.5
111.04431	2.9
112.78246	0.9
119.04942	5.5
119.08587	2.8
121.06526	1.1
123.04449	17.6
125.02345	4.2
125.05962	2.5
126.68287	1.2
129.05417	1.0
132.10216	1.2
133.02866	11.7
133.10146	1.7
135.04414	3.0
137.05986	22.2
138.03123	2.0
140.04694	100.0
142.02621	1.7
146.03659	1.9
147.04417	6.9
147.08046	1.9
152.04756	2.2
153.05470	3.4
155.07039	93.1
159.03146	1.0
161.09618	3.5
163.03963	2.0
164.04611	1.2
165.05482	20.1
165.09111	2.3
167.07037	3.6
168.03639	1.1
171.06540	2.1
173.08138	4.0
179.07043	8.9
179.10582	1.7
180.04181	15.9
181.04965	70.9
183.06531	4.0
189.09041	1.5
193.04964	26.3
195.06534	11.5
197.08124	9.9
207.06558	27.9
207.10162	3.5
222.54785	1.8
225.07596	23.5
231.05249	6.4
231.55428	1.6
243.06317	1.6
243.08624	19.3
243.11118	1.6
254.01123	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	243.1592
Annotation	Annuionone F
Peak:m/z	Relative Intensity
53.03934	3.5
55.01870	2.7
55.05512	26.0
56.96561	4.2
57.03434	6.0
57.07072	6.2
59.04992	3.7
61.02897	5.9
66.31336	2.1
67.05507	17.6
69.03434	18.0
69.07072	33.6
69.54288	7.7
69.54695	6.3
71.04970	8.9
79.05502	19.8
81.03409	11.7
81.06678	2.1
81.07063	26.7
83.04987	24.5
83.08608	6.9
84.04488	16.4
85.02896	10.5
85.06528	2.6
86.09715	45.6
87.04452	6.1
91.05484	20.9
93.07049	21.8
93.09883	2.4
95.04948	13.7
95.08603	26.8
97.02888	5.5
97.06517	10.7
97.10158	6.0
98.97563	11.4
99.04446	7.3
99.08077	7.9
101.05963	3.1
102.05552	3.6
105.07040	35.6
107.04921	3.4
107.08608	36.9
109.02848	5.9
109.06503	9.4
109.10159	11.7
111.04443	3.6
111.08031	4.3
115.07619	3.7
115.11959	2.4
116.98608	3.0
117.07015	6.6
119.08586	60.7
121.06538	4.4
121.10165	32.2
122.78873	2.6
123.08071	17.3
123.11653	4.0
125.05995	14.1
125.09612	8.7
127.03880	6.1
128.06216	2.8
131.08557	7.2
132.10178	3.3
133.10133	16.5
135.11684	13.3
137.05878	3.3
137.09604	6.7
137.13206	2.6
139.11191	20.2
141.09105	10.5
143.07019	3.9
145.10104	9.6
147.08044	8.8
147.11717	16.5
149.09608	4.6
151.07588	5.7
151.11157	4.8
153.09103	3.5
155.07013	11.0
155.08537	3.5
158.06026	2.8
159.11659	5.2
161.09619	10.0
161.13264	70.5
165.09099	6.4
165.12863	3.1
169.08656	3.9
171.11609	3.4
179.10686	8.8
179.14270	18.4
181.12274	2.9
183.10214	4.0
189.09109	5.0
189.12766	21.5
197.09717	3.0
197.12964	8.7
207.10168	7.7
207.13803	43.9
211.05490	3.3
215.13901	4.8
225.11436	14.1
225.14848	100.0
243.06454	3.1
243.13771	8.8
243.15947	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03940	4.0
55.01857	5.7
55.05274	2.3
55.05515	27.6
55.36974	1.6
57.03424	6.4
59.05006	20.5
61.02906	3.4
67.05508	51.8
68.99820	1.6
69.03419	3.5
69.07075	15.6
69.32281	3.6
69.32682	13.3
71.04998	49.5
71.17832	1.9
78.12694	1.7
79.05495	49.7
81.02987	2.9
81.03419	31.0
81.06598	2.9
81.07061	54.6
83.04985	17.6
83.08629	11.5
85.02908	2.3
85.06538	7.8
87.04464	7.3
91.05482	60.8
93.07049	34.7
95.04981	17.6
95.08613	24.1
97.06544	19.0
97.10140	4.6
99.04425	2.7
99.08092	3.2
105.07037	40.8
107.04942	6.6
107.08595	39.3
109.06537	13.4
109.10136	3.8
111.04427	1.9
111.08081	10.7
113.05977	7.3
115.07707	1.6
117.06969	1.8
119.08572	23.5
121.06480	2.5
121.10155	30.3
123.08041	6.3
123.11703	4.6
129.07040	12.2
131.08572	32.1
133.06430	2.8
133.10132	46.1
137.09618	2.0
137.13184	2.2
142.07768	2.2
145.10081	2.0
147.08081	4.2
147.11688	42.9
149.09634	45.7
151.11130	2.8
157.10136	25.7
165.12773	6.5
167.10701	12.2
175.09758	3.1
175.11206	35.2
179.14310	4.2
181.12230	2.5
183.81091	1.8
193.12250	47.9
197.15417	22.0
199.13237	9.3
207.13771	2.1
211.13292	34.9
225.14856	100.0
243.15764	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	243.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30152	1.6
55.01888	10.1
55.05511	11.6
57.03436	2.7
57.07066	5.5
58.02949	3.2
67.05234	2.0
67.05505	18.6
69.03419	3.4
69.07061	14.6
71.04987	4.9
71.52535	3.2
79.05495	10.4
81.07055	45.0
83.04977	5.4
83.08609	6.9
85.06542	7.6
85.10168	3.1
87.04450	2.0
91.05474	14.0
93.07042	57.1
95.04968	12.5
95.08606	16.3
97.06536	20.4
97.10122	2.7
99.08102	2.6
102.12788	3.1
105.07040	23.3
107.08590	35.1
109.06515	13.4
109.10156	14.7
111.08081	20.3
113.05998	3.4
114.09163	18.4
117.07036	2.7
119.08588	12.6
121.10145	8.9
123.08032	4.5
123.11700	31.6
125.09603	6.1
127.07577	3.2
131.08524	3.7
133.10037	9.0
135.08058	15.5
135.11678	2.3
137.13249	5.8
138.30498	2.1
142.08632	19.0
143.08565	2.8
145.10109	5.6
147.08049	3.0
147.11690	28.1
151.11086	2.2
153.09102	4.1
157.10201	2.7
159.11742	3.1
161.09734	3.3
161.13242	9.6
165.12764	32.2
169.08583	9.9
169.09990	3.0
171.11635	2.9
173.13245	2.9
183.13806	100.0
184.16966	14.2
187.13206	2.8
187.14752	2.1
189.12738	8.2
207.13797	35.6
212.16438	15.8
215.17873	2.3
225.14838	38.9
243.06468	4.1
243.10286	2.9
243.13675	6.3
243.15950	8.1
243.17924	3.7
243.20969	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	243.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53386	0.6
55.05516	1.0
56.96566	0.6
57.03444	0.6
57.07081	100.0
61.98603	0.5
67.05513	1.7
69.07079	1.1
69.61368	2.2
70.72667	0.6
79.05502	0.9
81.07064	4.1
83.25119	0.5
84.08196	0.6
85.06551	81.2
91.05490	2.4
93.07047	0.6
95.08607	1.0
97.02959	0.6
98.21459	1.1
105.07050	1.3
107.08640	0.8
109.10139	0.8
119.08565	0.6
121.10172	0.5
129.06920	0.6
131.08646	0.6
133.10164	0.9
145.10097	0.9
145.59102	0.5
147.11696	0.9
159.11736	1.2
187.14754	0.6
243.06512	1.5
243.10391	1.1
243.13913	1.6
243.15891	37.1
243.21072	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	244.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12011	1.9
54.26184	1.4
70.06603	2.8
70.44613	5.8
70.57368	1.6
72.08189	3.2
82.14149	1.6
84.04482	1.4
84.08150	2.2
87.83644	1.8
95.02419	1.6
104.10714	5.3
105.11064	4.0
112.05095	100.0
116.07095	2.0
161.97577	1.7
203.05238	5.9
226.11905	3.4
244.05800	17.4
244.07959	5.5
244.16733	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	244.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16561	1.7
69.44562	14.5
71.91196	2.0
72.08147	2.3
95.02471	2.6
112.05100	100.0
113.48693	1.8
120.94685	2.1
130.49538	1.9
155.01868	1.8
188.24504	2.0
195.25687	2.1
244.05876	29.8
244.08115	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	244.0931
Annotation	Cytidine
Peak:m/z	Relative Intensity
51.38205	0.3
55.01876	0.3
56.05017	0.3
57.03423	0.8
61.02917	0.9
64.19681	0.3
69.03419	0.8
69.04547	0.8
70.06595	9.1
71.01352	0.3
71.04980	0.3
71.50880	0.4
72.08159	3.5
72.93784	0.5
73.02902	0.9
81.03424	0.5
82.05444	0.3
84.04489	0.6
84.08134	2.6
85.02911	1.9
86.09693	0.7
87.10062	0.3
95.02441	2.2
97.02901	1.1
100.11278	0.5
100.54961	0.3
101.00871	2.9
102.05561	0.4
103.00639	0.7
109.02860	0.4
110.07112	0.4
110.09660	0.4
112.05091	100.0
113.00875	0.9
115.02422	0.4
116.07088	0.3
119.01926	3.7
120.02044	0.4
121.01660	1.1
123.07932	0.5
125.95361	0.3
127.03892	0.6
129.10249	1.6
131.01923	1.6
133.01671	0.4
133.03427	0.7
137.00919	0.3
137.02980	0.3
139.02339	0.3
142.03516	0.7
142.04950	0.3
143.01939	1.5
145.03464	0.9
153.55920	0.4
155.01881	3.8
157.03481	1.0
158.08121	0.8
160.95306	0.5
161.02977	2.5
162.03105	0.3
162.52640	0.3
163.02657	0.4
163.04582	0.4
167.01909	0.4
173.02959	3.8
174.03137	0.3
175.02780	0.5
175.04546	0.7
179.02069	0.4
179.04019	0.7
180.08495	0.4
184.04475	0.3
184.11043	0.3
185.02948	1.6
187.04562	0.3
191.04076	0.5
202.02831	0.3
203.02260	1.0
203.04044	1.7
204.04173	0.4
205.03816	0.4
205.05644	0.6
221.03203	1.9
221.05048	2.1
226.07278	0.7
226.12033	0.6
227.13937	0.5
239.06134	1.5
244.06604	0.9
244.13617	0.4
244.16464	1.9
244.20186	0.6
245.05115	1.1
262.07770	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.05030	0.2
57.07079	6.7
58.06604	13.4
59.19321	0.2
62.06093	0.2
67.47986	0.2
69.07058	0.4
69.18213	1.9
71.08640	2.8
72.08161	2.6
74.06064	0.4
76.07648	8.3
81.07014	0.2
83.08624	0.3
85.10177	1.1
95.08584	0.2
98.21488	0.4
100.07606	0.2
107.08614	0.2
119.08647	0.2
122.05989	0.3
157.17879	0.2
178.15901	0.4
200.23792	0.2
226.18019	0.5
226.25328	2.2
227.51405	0.2
244.12756	1.0
244.26369	100.0
245.26703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06586	19.7
71.50475	8.3
101.00867	19.1
104.10750	100.0
109.01324	7.2
112.05062	17.6
113.05441	15.5
119.01926	29.2
128.63118	6.5
143.01973	8.8
155.01953	14.8
161.03006	7.1
167.01945	9.9
173.02950	10.5
174.95500	6.6
177.68503	6.9
185.02977	29.0
193.12958	6.6
197.02971	14.2
218.72678	7.1
245.00647	21.4
245.06288	12.7
245.12686	9.1
245.14880	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	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93513	5.7
56.05029	4.2
70.06590	22.4
71.23781	9.8
72.08119	6.1
72.93793	9.5
75.84882	4.4
82.99828	4.4
84.04498	7.9
84.08156	9.7
86.06022	5.8
88.03963	6.4
90.94815	8.5
100.07632	11.6
101.00880	29.8
104.10747	56.0
110.20741	4.7
112.05098	100.0
113.03496	60.2
113.04784	11.8
113.05442	78.6
115.03957	6.8
116.07067	8.9
116.51176	4.4
119.01909	42.4
129.10262	6.3
131.01933	8.8
143.01849	12.6
145.03488	8.5
149.96092	6.3
155.01889	16.4
157.03447	11.8
161.02957	20.8
167.01990	8.2
167.97237	7.7
172.97699	5.4
173.03014	18.0
175.04510	4.9
185.02942	47.5
190.98788	5.7
194.87102	5.2
197.02866	14.6
199.14406	11.4
203.04039	13.5
237.28841	5.1
245.00616	7.3
245.05078	28.7
245.08412	6.7
245.12283	15.8
245.14983	44.6
246.92679	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	245.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.2
57.88973	0.2
68.76392	0.2
68.91003	0.2
68.98299	0.4
69.03416	0.7
69.77391	1.2
72.93779	0.4
80.45462	0.2
81.03423	0.5
82.99826	1.7
84.99575	0.4
85.01392	0.4
86.99323	0.6
90.94833	0.4
94.99841	0.3
97.01394	0.5
97.02895	1.0
99.04468	0.4
101.00887	12.8
102.00943	1.1
103.00658	3.0
103.01299	0.5
103.02450	0.3
109.02894	0.3
113.00876	2.3
115.02442	1.2
118.98593	0.3
119.01930	19.2
120.02007	2.2
121.01684	3.9
127.02380	0.8
127.03915	0.9
129.04047	0.5
131.01921	4.5
131.05592	0.4
133.03447	1.2
136.99667	0.5
137.02959	2.5
138.03021	0.3
139.02493	1.1
142.03423	0.3
142.98628	1.3
143.01903	11.5
143.03598	0.5
144.02063	0.2
145.03474	3.2
147.01401	1.2
149.03058	0.3
149.06589	0.3
149.96054	0.5
155.01891	2.7
157.03473	7.4
159.01534	0.3
159.05063	0.5
160.99651	3.6
161.02969	24.7
162.03085	0.8
163.04520	0.5
164.14030	0.2
167.01945	1.3
167.99498	0.3
169.03462	1.1
171.05045	0.5
172.97690	0.4
173.02975	5.2
175.04536	4.7
177.00954	1.0
177.02626	0.5
177.09731	0.4
178.01033	0.8
179.00710	18.4
179.03963	1.4
180.04169	0.9
181.03505	0.5
184.04521	0.6
184.99628	0.7
185.02965	11.2
187.04568	2.3
189.06046	0.6
191.04019	2.1
197.03041	1.6
199.00748	0.3
199.04581	1.1
201.02670	0.3
203.00841	3.1
203.04005	11.3
203.11337	0.7
209.03055	0.3
215.04027	2.4
217.05614	0.9
219.01974	1.1
219.03899	2.9
220.02090	0.9
221.01788	22.4
221.05243	0.9
221.12209	0.3
222.01994	1.1
222.06061	0.3
227.00601	2.4
227.03976	3.2
227.94984	0.3
233.05023	1.7
236.00554	0.5
245.01860	12.1
245.05078	21.2
245.12321	2.3
261.03049	0.8
263.02887	100.0
264.03082	0.8
265.03281	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.1
55.05505	2.7
55.93512	2.7
57.03434	1.7
58.99858	3.2
60.25404	0.8
61.02923	1.7
67.05482	1.5
68.16032	0.8
68.98300	2.6
69.03430	6.3
69.07057	1.3
70.03111	1.3
70.03511	1.9
70.06596	12.7
70.99854	3.0
71.04979	1.0
71.06933	2.4
72.08145	3.8
72.93791	10.5
73.01436	0.8
73.02917	2.3
77.00912	2.0
79.05491	1.4
81.03408	3.4
82.99813	5.8
83.04966	2.6
84.04486	2.5
84.08150	6.1
85.02917	5.7
85.08454	0.9
86.09708	3.7
86.99335	3.6
87.04456	0.8
88.04028	2.1
89.00875	2.4
89.94055	1.9
90.94835	12.8
91.05485	1.4
95.01957	1.0
97.01404	1.3
97.02897	6.5
97.06522	1.8
98.06057	1.8
98.20768	1.0
98.97561	1.1
99.04445	1.0
99.06405	1.5
100.11262	4.0
101.00890	59.5
101.11595	1.3
103.02436	2.6
105.00378	2.5
107.04951	2.9
108.95876	2.0
109.02878	3.3
111.04501	0.9
112.05115	3.6
112.07620	5.4
113.00895	7.8
113.03498	13.9
113.05437	2.4
113.96415	2.8
114.09161	3.4
115.02460	5.0
115.03986	0.8
119.01930	95.4
119.08574	1.1
120.02008	1.7
121.01709	1.2
127.02420	7.6
127.03916	3.5
129.00340	1.9
129.03992	4.5
129.05511	1.0
129.10257	2.5
130.08636	2.6
130.10594	1.1
131.00912	1.4
131.01920	24.9
131.11815	2.7
131.97389	1.5
132.95833	1.8
133.03473	5.5
133.05042	1.0
137.00845	2.8
137.02977	9.8
139.02400	5.3
142.03377	2.9
142.04968	1.0
143.01912	32.7
145.03476	33.4
147.01437	4.2
147.05026	5.8
149.03001	2.8
149.96121	14.7
153.04063	1.3
153.05363	0.9
155.01904	36.0
157.03496	25.5
157.04776	1.7
159.01410	1.2
159.05034	1.8
161.02975	53.5
163.02521	0.8
163.04562	4.6
167.01915	21.4
167.97200	10.8
169.03465	5.5
171.01283	1.6
171.05049	7.1
172.97743	13.3
173.02977	39.3
173.06633	2.6
174.03087	3.3
175.04562	11.3
177.02422	1.7
179.01939	8.4
179.03491	1.2
179.03973	1.1
181.03421	1.6
184.04594	1.9
185.02974	100.0
187.04529	12.3
187.06026	1.3
189.05965	1.2
190.98741	5.1
191.03995	4.7
196.04597	1.7
197.02971	34.3
199.04529	3.0
201.12363	1.4
203.02150	2.8
203.04015	27.1
205.05562	1.8
208.04601	2.8
209.02977	2.0
215.04033	9.8
215.07527	1.1
217.05592	1.9
221.03415	0.6
221.05116	11.2
226.05637	1.4
227.04036	7.3
227.07378	2.4
233.05054	2.0
240.06322	1.0
243.55176	0.9
245.05089	85.4
245.08093	3.5
245.12228	3.1
245.15086	2.4
245.20551	2.8
263.06302	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	245.0957
Annotation	D-Biotin
Peak:m/z	Relative Intensity
55.05399	1.3
55.05686	0.6
55.09834	0.2
56.04941	0.3
57.06970	0.3
61.01062	0.3
61.03947	0.5
61.04210	0.4
65.53470	0.3
67.05377	1.1
67.05764	0.4
69.03329	0.6
69.06963	0.6
70.06482	0.4
71.04892	0.5
71.52248	0.3
72.08068	0.3
72.93700	0.5
74.00567	0.3
76.02099	1.2
76.02580	0.5
79.05359	1.8
79.05853	0.6
79.30984	0.2
80.04891	0.4
81.03307	0.4
81.06919	1.6
82.02826	0.8
83.04845	1.3
85.01043	0.5
85.02810	0.5
85.06404	0.8
85.06876	0.3
86.09571	9.6
86.10151	1.1
87.02573	0.4
90.94714	0.4
91.05354	0.9
93.06911	0.8
95.04884	0.7
95.05457	0.4
95.08495	0.6
97.00982	3.1
97.01649	0.6
97.03882	8.6
97.04554	0.7
97.06398	1.7
98.09570	0.5
98.97469	0.6
99.02571	0.4
99.05439	0.3
100.02116	0.6
101.04125	0.3
105.06889	3.6
107.04868	0.3
107.08466	0.9
108.07980	1.0
109.06422	0.6
111.02550	0.6
111.04340	0.4
112.02077	0.6
112.21888	0.3
113.04096	0.8
114.09038	0.4
115.05647	0.4
119.08442	0.4
120.07963	0.5
121.06401	0.7
121.10028	0.5
122.09604	0.5
123.02655	6.6
124.07481	0.3
125.04062	1.2
125.05883	0.4
125.09475	0.4
127.03915	0.3
131.08470	0.5
132.08003	0.4
133.06340	0.9
133.08736	0.5
134.06006	0.3
135.11621	0.3
137.04141	0.4
137.99976	0.3
139.05762	3.5
142.03085	0.8
143.00061	0.3
143.02605	0.6
145.02754	0.4
149.04205	1.8
149.95988	0.8
150.09117	0.5
150.96780	0.3
151.08557	1.2
155.08345	0.3
156.08340	0.7
163.11191	0.6
164.05214	0.6
165.10139	0.4
166.06871	5.5
167.05254	5.1
167.97047	0.4
172.97659	0.5
177.05394	0.5
178.96364	0.3
181.09616	0.3
182.06290	0.6
184.07945	3.8
185.07413	0.8
191.10637	0.6
192.04836	1.7
193.09666	0.3
199.07362	0.4
199.09030	4.1
199.10812	0.5
209.07433	3.6
209.11696	0.6
210.05804	0.3
227.08487	100.0
228.08742	0.8
245.09592	18.6
245.11407	0.7
245.15358	0.5
245.18732	1.0
267.03854	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1385
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
55.01870	17.7
67.05511	12.9
69.03427	6.2
69.07066	17.0
70.11218	9.4
71.04976	4.0
76.29094	2.7
79.05511	17.6
81.07077	13.3
83.05006	3.0
85.06536	7.9
91.05463	7.1
93.07053	33.7
95.04943	4.3
95.08607	20.6
97.06522	11.2
98.21440	2.9
99.04458	6.7
105.07038	19.6
107.04977	4.4
107.08614	43.4
109.06503	7.6
109.10136	3.3
111.08109	2.9
111.11671	2.9
113.06009	7.6
117.07046	6.4
119.08556	7.8
121.06504	7.5
121.10152	29.0
123.08060	7.2
131.08565	3.4
135.11685	14.5
139.11191	8.3
145.10130	21.0
149.09608	7.6
151.07539	7.7
157.10139	3.4
163.11189	45.9
167.10657	12.3
169.08611	100.0
172.97745	3.0
173.09616	5.2
181.12268	25.2
185.11807	4.0
185.96716	2.7
191.09032	3.1
191.10667	12.9
209.11729	10.3
227.12733	39.9
228.10257	5.8
245.13728	12.9
245.18935	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	245.1861
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05501	0.6
56.05063	0.2
56.58284	0.2
56.96555	0.3
58.06581	0.3
65.03842	0.2
67.05531	0.4
69.03434	0.2
69.07070	8.6
70.75871	0.6
72.93796	0.5
76.64930	0.2
83.04993	0.5
86.09708	100.0
90.94836	0.4
98.97588	0.8
103.05483	0.2
103.17331	0.2
116.98621	0.4
124.00395	0.2
132.10213	1.8
138.89915	0.2
143.66257	0.2
149.96095	0.6
167.97188	0.4
171.03304	0.3
172.97688	0.4
199.18076	0.8
209.51987	0.3
227.17613	0.2
245.08141	0.4
245.13535	0.3
245.18608	5.7
245.20966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48719	0.4
53.03941	0.8
55.05515	5.0
57.07087	4.0
65.03934	0.8
67.05508	20.7
68.63333	0.5
69.06731	0.7
69.07073	9.4
69.26398	3.3
69.26801	0.6
71.08633	1.0
79.05497	18.8
81.07064	24.2
83.08636	3.6
85.10150	0.7
91.04906	0.6
91.05489	22.2
93.07054	23.2
95.04932	0.7
95.08614	22.4
97.10158	1.0
105.04544	0.4
105.07042	15.8
107.08605	14.2
109.09469	0.8
109.10164	8.7
111.11688	0.6
117.07014	0.6
119.08590	16.9
121.10151	22.8
123.11713	5.0
131.08601	1.3
133.10139	25.8
135.11707	9.9
137.13275	3.0
142.03175	0.5
145.10056	0.6
147.11699	16.7
149.13266	8.3
151.14836	2.4
152.02434	0.4
153.55986	0.5
159.11705	0.8
161.13269	23.1
163.14827	12.1
163.50607	0.4
175.14838	15.0
177.16415	2.6
180.75264	0.4
189.16377	5.9
193.98143	0.5
203.17947	2.3
217.19496	1.7
245.22664	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	6.4
57.07068	4.1
57.53882	0.9
67.05513	5.8
69.07064	8.8
70.20419	4.7
76.40057	1.0
76.60425	1.0
79.05487	3.2
81.07059	17.0
83.08617	5.9
91.05475	3.6
93.07043	10.2
95.08611	20.4
97.10165	4.0
98.21558	1.6
105.07048	11.2
107.08592	16.7
109.10165	16.2
119.08581	15.9
121.10130	15.3
123.11716	8.8
133.10127	10.2
135.11699	14.0
137.13249	4.3
147.11667	7.5
149.13290	11.4
161.13280	10.7
163.13606	1.7
163.14835	17.5
175.14833	15.7
185.41518	1.1
187.14882	1.9
189.16374	17.3
203.17946	8.5
245.13600	2.2
245.22661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.145
Annotation	H-Leu-Asn-OH
Peak:m/z	Relative Intensity
50.77080	1.5
55.01867	1.8
55.05515	3.7
56.05047	3.4
56.96546	1.8
57.03424	1.7
57.84064	1.6
62.23167	1.5
67.05511	3.6
68.05045	1.6
69.03440	4.7
69.07072	58.8
70.02954	17.7
70.06589	7.3
71.06113	1.6
71.17278	3.2
72.08163	17.1
72.93790	2.9
73.02910	2.0
73.04047	2.8
73.06541	4.7
74.02441	2.9
79.05488	2.5
80.01402	2.1
81.07085	1.7
84.04505	5.6
84.08142	26.0
84.98860	1.5
85.02908	4.2
85.04028	16.2
85.04510	2.1
86.06055	2.6
86.09710	89.6
87.05598	78.0
88.04002	15.5
88.07622	4.9
90.94813	4.3
96.08149	2.1
97.02849	1.9
97.06532	12.3
98.02425	26.5
98.06060	6.3
99.06397	4.1
100.07618	7.5
101.00844	2.6
102.00984	2.3
102.05560	2.2
110.02411	66.2
112.07618	1.8
112.08838	1.6
113.10783	41.7
114.05587	1.9
115.07574	1.8
115.08691	2.4
116.07095	2.4
119.01924	2.7
120.02023	3.9
121.01707	2.4
124.03972	13.8
124.07589	2.4
126.05482	2.7
127.03914	2.0
129.10266	9.3
130.04903	2.5
132.10202	22.7
132.95828	3.2
134.04526	4.3
138.09134	3.3
140.07036	1.7
141.10234	97.4
143.11797	18.7
146.03496	2.0
149.96121	5.2
150.96863	2.6
151.48312	1.7
152.07025	2.2
155.11810	11.3
156.13855	22.1
160.98927	2.9
161.02940	2.5
162.03093	4.7
166.08649	86.6
167.97169	2.4
168.06636	2.1
169.09740	7.3
171.11331	4.9
173.98013	2.0
174.03215	1.6
175.12048	1.9
183.11313	14.3
185.02985	1.5
186.03232	4.6
187.10806	60.6
200.14011	33.9
201.12299	3.4
202.10754	1.8
202.14380	12.7
203.03955	1.7
204.04173	1.9
211.10835	8.6
212.09192	100.0
220.00302	1.7
228.13811	8.7
229.11847	68.5
246.05324	5.3
246.07607	1.7
246.09868	3.5
246.14995	9.4
246.18306	7.7
246.20483	1.8
246.24274	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	247.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93533	2.8
55.84424	2.5
56.46340	2.8
60.18262	2.4
69.00916	2.8
69.49756	6.3
69.50166	10.7
70.06573	3.3
70.95274	2.5
72.08152	8.3
86.09692	11.1
98.20708	4.5
104.10749	9.1
112.59520	2.4
118.08645	10.2
121.01584	3.4
130.09734	3.2
156.37378	2.6
229.03194	18.7
247.02325	5.6
247.04282	100.0
247.07974	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	247.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93786	12.3
64.79308	11.7
69.81532	46.5
69.81942	27.4
72.08160	14.1
72.11229	12.9
86.09714	100.0
88.28752	11.8
95.84782	14.1
98.20828	19.7
101.00871	53.5
108.11513	14.5
119.01908	51.5
136.58405	13.0
187.00902	23.3
215.00298	13.0
247.02240	38.9
247.04369	33.0
253.52368	13.7
253.82280	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	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50569	0.9
55.05499	1.6
63.96236	1.0
70.32421	3.5
72.08167	7.3
83.89969	0.9
86.09719	4.4
87.23344	0.9
87.87530	0.9
98.20876	1.1
110.26672	0.9
132.10178	1.0
148.06036	1.8
167.03081	1.3
187.02211	1.8
216.94930	1.0
229.03236	29.0
247.04289	100.0
247.12962	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
50.95662	1.3
53.03938	4.1
54.71063	1.4
55.05504	1.9
65.03936	4.3
67.05502	4.5
69.03426	18.3
69.53814	9.2
70.31158	1.7
79.05511	7.9
81.07052	7.7
83.04983	17.4
91.05482	23.2
93.03391	3.9
93.07048	14.4
95.04979	4.9
95.08592	1.6
97.02903	7.7
98.62263	1.4
98.97614	2.1
103.78069	1.5
105.07035	12.5
107.08604	13.5
109.02885	18.7
109.06526	12.4
109.10157	2.1
111.04421	5.3
111.05125	1.5
115.05444	4.0
117.07023	7.4
119.08605	17.5
121.02845	3.6
121.06526	17.3
121.10149	8.2
123.08079	1.7
125.09530	1.9
126.79156	1.8
128.06267	2.3
129.06996	5.6
130.07770	2.4
131.08583	20.3
133.10132	11.9
135.08063	28.5
137.05974	6.9
137.09602	3.0
142.07750	2.5
143.08620	9.8
144.09366	11.9
145.06485	9.6
145.10164	10.1
147.07965	3.4
149.09644	20.5
150.10391	3.5
151.11176	4.7
153.06964	2.7
155.08563	5.4
157.10149	5.9
158.07382	3.5
158.10928	15.2
159.08069	13.5
159.11713	32.8
160.08853	4.3
161.09625	5.3
163.07568	18.8
163.11205	1.9
165.09129	1.9
168.09354	4.4
169.10121	2.9
170.10910	3.3
171.08037	9.7
172.08832	14.3
173.05946	1.6
173.09663	26.6
173.13264	45.8
181.06503	1.8
183.11722	11.0
185.09555	2.0
186.10414	24.2
187.07608	3.1
187.11205	100.0
189.09195	2.2
191.07056	28.5
196.08827	5.1
201.12761	64.2
205.12250	6.5
211.11264	10.8
214.09924	3.3
219.13814	5.9
229.12259	70.5
236.59930	1.6
247.13321	64.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03937	3.5
55.05512	5.2
59.05000	1.4
65.03932	3.2
67.05493	4.1
69.03431	15.3
69.07076	1.2
70.56639	2.9
77.03943	1.0
79.05479	8.4
81.03419	2.2
81.07053	8.5
83.04986	15.0
85.02856	2.0
85.06540	1.5
91.05484	13.2
93.03394	3.1
93.07034	12.3
95.04965	4.8
95.08603	2.1
97.02887	8.1
104.37697	1.0
105.07041	11.4
107.04954	1.7
107.08601	14.2
107.13203	0.9
107.60498	0.9
109.02883	22.0
109.06519	13.2
109.10141	3.2
111.04441	4.5
112.16515	1.0
115.05445	3.1
117.07025	8.9
119.07799	1.6
119.08585	19.2
121.02876	4.5
121.06509	17.1
121.10152	7.8
123.08060	2.0
125.05942	1.3
127.03885	2.1
128.06245	2.4
129.07011	5.8
130.07790	1.8
131.08574	16.6
133.10136	11.7
135.08064	25.8
135.11691	1.0
137.05965	6.5
137.09581	3.0
139.03917	1.7
141.06941	2.2
142.07767	3.0
143.08565	11.3
143.96237	1.1
144.05650	1.0
144.09349	9.8
145.06497	8.6
145.10146	11.4
147.08069	3.8
149.05992	1.6
149.09619	20.6
150.10431	4.6
151.07515	1.2
151.11134	3.5
153.07018	1.5
153.09097	1.3
155.08557	4.0
157.06465	1.5
157.10101	2.7
158.07356	1.2
158.10915	11.9
159.08087	9.2
159.10463	1.9
159.11700	26.5
160.08858	3.3
161.09604	3.1
163.07549	20.7
163.11160	2.1
165.09131	1.8
168.09358	4.1
169.10100	2.0
170.10907	4.1
171.08012	4.8
171.11653	1.2
172.08832	14.5
173.05994	1.6
173.09634	25.1
173.13264	39.4
175.07594	1.0
175.31497	0.9
177.09111	1.2
177.12726	1.0
181.06543	1.1
183.11693	9.4
185.09583	1.3
185.13237	3.6
186.10403	22.5
187.11186	100.0
189.09036	2.1
191.07031	25.0
196.08833	6.9
199.07608	1.0
201.12744	58.3
205.12228	9.6
211.11151	10.0
212.13637	1.5
214.09891	2.2
219.13805	4.7
229.12238	64.8
247.13297	60.1
247.17143	2.6
251.35649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37842	10.6
69.93066	58.0
78.06543	9.8
94.93008	50.5
98.20895	12.4
109.59438	9.3
146.08177	16.2
172.52847	11.6
236.55533	12.2
248.89601	19.7
249.03662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57896	0.2
55.01892	0.2
55.05507	0.2
57.03436	0.5
59.04988	0.2
62.00604	0.2
65.82567	0.2
67.01859	1.0
67.05527	0.2
69.03442	0.2
69.07072	0.9
70.03753	0.2
70.72164	0.4
70.72501	0.1
73.96124	0.2
79.05498	0.3
84.08140	0.5
85.02940	0.4
87.04456	0.3
88.07646	1.7
94.04071	0.6
97.02884	0.3
97.06551	1.4
98.97613	0.3
98.98473	1.7
119.03556	0.9
127.03943	0.3
134.64815	0.2
136.06198	100.0
137.04623	0.7
151.07550	0.2
161.05968	0.2
163.06381	0.2
166.89072	0.2
173.84052	0.2
177.07858	0.5
206.11774	2.0
215.09161	0.2
232.08336	0.3
232.11858	0.4
245.06886	0.3
250.07364	0.4
250.09404	15.1
250.13046	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	250.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93597	0.2
53.00187	0.2
55.01864	0.4
55.05506	0.6
57.03431	1.0
61.02914	0.6
69.03436	2.1
69.07072	0.3
70.06602	1.9
71.04999	0.3
71.07641	0.5
78.56086	0.3
81.03418	0.5
83.44464	0.3
84.08136	0.5
85.02908	14.2
87.04436	0.3
88.07635	100.0
97.02901	2.8
98.98489	1.0
99.04449	0.4
103.03976	0.3
109.02907	1.3
115.00570	0.3
126.49523	0.3
127.03931	1.7
136.06206	3.3
145.04973	1.6
152.85268	0.3
204.10217	0.2
206.11835	1.3
217.07423	0.4
245.06935	0.4
250.10648	0.3
250.12721	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	250.13
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47318	0.3
51.36118	0.2
51.49155	0.2
55.01866	0.3
55.05520	0.4
57.03443	0.3
60.12891	0.3
66.58932	0.2
69.03436	0.3
69.07066	2.5
70.43784	0.9
73.06572	0.5
79.05495	0.9
81.07038	0.3
85.02894	1.4
87.66450	0.3
89.37889	0.3
94.04026	0.5
97.06535	2.7
98.98467	0.8
119.03526	1.9
120.08103	2.7
136.06184	87.8
137.04599	0.6
144.05252	0.3
152.05672	3.7
153.04124	0.3
154.07181	0.4
174.07765	1.3
176.07988	0.4
178.08664	0.6
204.07370	0.8
206.10345	0.4
214.10970	0.5
232.11867	0.5
233.11688	0.6
250.12987	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10139	1.7
70.89748	3.3
94.92998	6.8
96.92825	6.8
139.22865	1.8
149.94241	1.8
159.84598	2.0
174.11176	2.3
176.93527	17.7
192.06273	2.4
196.00941	2.0
219.07047	2.2
223.99881	1.9
250.80908	9.2
250.89630	2.1
250.97212	100.0
251.03584	2.9
251.13667	22.9
257.46317	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1279
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03941	2.2
55.01867	3.0
55.05508	4.6
57.03424	1.1
57.07072	1.3
57.46189	0.7
58.26357	0.7
59.04974	1.2
65.03957	1.3
67.05510	16.2
69.03440	4.4
69.07075	5.5
71.04996	6.0
71.25325	1.0
77.01623	0.8
79.05493	15.7
79.05917	1.5
81.03423	18.2
81.07062	22.1
83.04980	3.6
83.08614	1.3
85.06541	3.0
91.05479	13.5
93.06482	1.4
93.07046	19.2
95.04973	16.1
95.08614	11.7
95.39590	0.7
97.02982	0.8
97.06531	5.0
97.10176	1.2
98.98471	100.0
99.04456	5.7
103.05429	1.2
105.03387	0.9
105.07034	22.9
107.04955	9.5
107.08603	8.6
109.02893	1.7
109.06516	10.6
109.10139	4.3
111.04454	1.8
111.08116	1.8
113.06033	1.3
115.05466	1.3
116.06187	0.8
116.99495	2.0
117.03329	0.8
117.07012	9.4
119.04940	3.3
119.08572	11.4
121.06510	12.1
121.10155	6.3
123.04402	1.1
123.08054	3.0
123.11701	2.2
125.06009	2.9
127.07578	1.1
128.06227	1.7
129.06987	4.8
130.07794	2.6
131.04974	0.9
131.08560	16.1
133.06528	3.0
133.10147	4.2
135.04488	1.6
135.08044	4.5
135.11659	4.2
137.05989	7.4
137.09663	1.2
139.03876	0.8
139.07559	3.3
141.07030	1.4
143.08578	3.7
144.09357	1.7
145.06511	3.6
145.10132	34.9
147.08052	2.9
147.11678	5.1
148.08870	1.1
149.05992	1.0
149.09619	2.7
149.13254	1.0
151.07564	1.6
154.07709	1.0
155.08571	1.3
157.08665	1.6
157.10182	0.8
158.07288	2.2
159.08099	3.5
159.11694	15.1
161.09602	1.8
161.13306	0.8
163.03925	2.2
163.07565	2.4
163.11189	32.9
167.08568	1.1
167.10699	1.3
169.10129	6.1
171.11749	2.7
172.08835	2.2
173.09636	16.2
173.13196	2.0
174.99200	5.1
175.11253	0.9
177.12791	2.9
181.12228	2.8
182.07333	0.9
187.11188	24.3
187.14763	4.7
189.12755	1.7
191.10695	11.8
197.09549	4.0
197.13316	1.7
205.12238	14.2
205.15811	1.6
209.04488	1.1
215.10677	24.5
215.14290	3.3
233.08157	0.8
233.11732	22.3
233.15312	8.7
251.12656	36.9
251.16325	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	251.128
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
53.03951	1.0
55.01869	1.8
55.05506	3.7
56.96557	1.0
57.07072	2.2
59.04998	2.6
60.54194	0.6
65.03932	0.9
67.05504	9.7
69.03442	5.1
69.07067	4.5
71.04997	8.4
71.52653	1.1
79.05495	8.0
81.03431	3.6
81.07062	10.4
83.04994	3.7
83.08621	2.6
85.06554	4.1
87.59529	0.7
91.05483	7.8
93.07050	11.3
95.04981	9.4
95.08604	7.3
97.02972	0.8
97.06528	4.5
98.98472	100.0
99.04468	4.7
105.07034	16.6
107.04953	4.7
107.08598	8.9
109.02917	1.2
109.06517	8.1
109.10181	4.2
109.67512	0.6
111.08082	2.2
113.05992	2.3
115.05415	1.0
116.99493	1.7
117.07003	5.1
118.96974	0.7
119.04951	1.9
119.08601	9.3
121.06510	7.3
121.10173	6.8
123.04462	1.5
123.08107	2.1
123.11713	1.7
125.05994	3.9
125.09629	0.8
127.07543	1.2
128.06244	1.1
129.07016	2.6
130.07797	2.6
131.08588	9.4
133.06496	2.3
133.10121	4.4
135.04401	1.4
135.08072	3.1
135.11693	3.0
137.06018	2.1
137.09634	4.3
139.03918	1.5
139.07545	2.7
141.05397	0.8
141.07011	0.8
143.08582	2.6
144.09335	1.9
145.06494	3.0
145.10124	25.1
147.08046	6.2
147.11699	3.0
149.06010	1.1
149.09666	2.8
149.13249	0.8
151.07581	2.3
153.05496	1.2
153.06984	0.7
154.07790	1.8
155.06960	0.9
155.08583	1.5
157.08708	0.9
157.10164	1.6
158.07294	1.9
159.08090	1.6
159.11699	13.3
161.09650	1.2
163.03944	1.6
163.07617	1.3
163.11198	9.2
165.09146	1.0
169.10120	3.5
171.11676	1.1
172.08850	1.3
172.83698	0.7
173.09636	8.9
173.13281	2.4
174.99217	6.2
175.11195	2.6
177.09149	1.3
177.12764	1.4
179.08618	1.2
179.14366	1.7
181.12260	1.7
187.11189	25.1
187.14786	1.4
189.12779	1.0
191.07028	0.9
191.10670	8.9
191.14377	1.6
197.09615	3.7
197.13214	0.8
205.12251	13.5
205.15900	1.1
209.11783	0.8
215.10678	20.8
215.14417	2.4
215.17944	1.0
233.11737	12.9
233.15305	7.1
233.19052	1.3
251.12720	9.1
251.16370	9.4
251.20174	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	251.1277
Annotation	Pterosin Q
Peak:m/z	Relative Intensity
52.40503	0.7
53.03949	1.0
55.01868	1.2
55.05513	3.1
57.03416	0.8
57.07067	1.2
59.05020	1.0
67.05507	6.9
69.03423	3.6
69.07059	2.6
71.04993	5.0
71.52459	1.0
71.52884	0.7
79.05492	7.0
81.03414	3.0
81.07061	11.7
83.04983	2.2
83.08607	1.8
85.06563	2.3
91.05474	8.4
93.07048	11.6
95.04968	6.6
95.08617	8.2
97.06534	3.6
98.98471	100.0
99.04471	5.1
105.03396	1.1
105.07037	14.0
107.04957	2.6
107.08600	7.2
109.02877	0.8
109.06519	8.5
109.10173	3.1
111.04453	1.7
111.08093	1.8
113.05961	0.9
115.05462	0.9
116.98653	0.8
116.99494	2.2
117.07027	6.1
119.04968	3.2
119.08568	7.2
121.06504	7.7
121.10151	3.6
123.04433	0.8
123.08083	1.7
123.11668	0.9
125.06014	1.9
125.09631	1.9
127.07571	2.3
128.06210	1.0
129.07034	3.1
130.07787	2.8
131.08577	9.9
133.06482	2.3
133.10126	3.1
135.04436	1.5
135.08069	2.8
135.11696	2.7
137.05980	4.9
137.09563	0.8
139.07574	2.5
141.07037	1.4
142.07747	0.9
142.20416	0.7
143.08582	4.1
144.09431	1.8
145.06474	3.1
145.10129	25.2
147.08052	2.1
147.11702	2.5
149.06032	1.3
149.09723	1.3
151.07568	2.1
153.09209	1.0
154.07771	1.1
155.08543	1.7
157.08627	2.1
157.10103	1.5
158.07307	1.1
159.08066	2.1
159.11699	14.1
161.13252	0.9
163.03854	1.8
163.07565	1.2
163.11159	6.7
167.10696	2.1
169.10094	4.1
171.11754	1.5
172.08817	0.9
173.09621	10.3
174.99258	4.7
175.11229	0.8
177.12775	2.6
179.08636	1.6
181.12302	1.3
187.11183	25.4
189.12816	2.0
191.10701	11.1
197.09653	4.4
205.12253	13.6
207.13933	1.1
215.10675	25.4
215.14410	1.3
233.08244	1.0
233.11749	20.3
233.15431	2.9
251.05481	1.4
251.12587	57.5
251.16154	3.9
251.19962	1.4
269.12265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03956	1.0
55.01877	0.8
55.05510	5.9
57.03456	0.5
57.07082	0.5
59.05008	1.6
65.03946	0.4
67.05505	2.3
69.03436	1.1
69.07069	8.2
70.42740	1.2
71.04998	0.5
79.05499	5.8
80.40827	0.3
81.03439	0.7
81.07065	6.2
83.04979	9.1
83.05466	0.6
83.08624	0.8
85.06541	0.7
87.04473	0.4
91.05476	3.9
93.07046	23.8
95.04966	2.5
95.08607	5.5
95.09167	0.4
97.06528	2.7
97.10155	0.4
98.98469	31.6
99.04469	0.7
103.05511	0.7
105.07025	7.2
107.04955	1.0
107.08588	4.1
109.02899	0.5
109.06499	2.8
109.10181	1.3
111.04448	10.6
111.08080	0.7
111.11743	2.6
112.37029	0.4
113.06026	0.4
116.99489	0.4
117.06988	0.8
119.04993	0.4
119.08580	2.8
121.06507	3.4
121.10146	34.9
123.04506	0.4
123.08063	1.7
123.11729	0.8
125.06008	0.7
125.09664	0.9
127.07549	0.3
129.06995	0.5
131.04877	0.4
131.08560	2.3
131.89052	0.3
133.06592	0.5
133.07588	0.7
133.10149	1.6
135.04410	0.6
135.08061	1.1
135.11678	0.5
137.05995	1.4
137.09619	0.6
139.07516	1.0
139.11168	2.7
145.06490	0.7
145.10126	3.6
147.08049	0.7
147.11679	1.2
149.09619	12.2
151.07541	0.6
157.08669	0.4
157.10075	0.6
158.07274	0.5
159.08025	0.8
159.11705	1.3
163.03911	0.7
163.11176	2.1
163.56757	0.3
167.10677	100.0
169.10182	0.4
173.09625	0.9
173.13321	0.5
174.99243	1.8
175.11186	1.2
177.09195	0.5
181.12212	0.5
187.11192	2.3
187.14902	1.0
189.12726	0.7
191.10704	1.1
191.14293	0.6
197.09648	0.5
205.12260	1.4
205.15950	0.5
209.04482	0.6
209.11757	0.4
209.15350	0.5
215.10744	2.1
215.14233	0.7
233.11691	1.4
233.15388	2.1
251.00133	0.4
251.09019	0.9
251.12531	1.7
251.16402	12.8
251.20113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Heterophyllol
Peak:m/z	Relative Intensity
53.03943	2.2
55.01873	3.6
55.05515	10.3
56.96549	1.9
57.03431	2.0
57.07062	6.8
59.05006	7.1
66.22039	1.4
67.05241	1.3
67.05511	15.8
69.03096	1.6
69.03419	10.2
69.07064	8.2
70.91406	4.2
71.01357	1.8
71.04999	52.7
74.97323	1.5
77.03900	1.8
79.05498	12.8
79.62095	1.4
81.03400	5.8
81.07060	15.3
83.04979	10.9
83.08638	11.3
85.02950	1.5
85.06538	10.5
90.88049	1.4
91.05481	14.0
93.07044	17.8
95.04973	19.9
95.08611	18.5
97.06535	16.4
97.10131	1.7
98.98471	100.0
99.04467	4.5
104.44025	1.9
105.07037	20.0
106.75169	1.5
107.04940	4.7
107.08587	19.6
109.06544	10.6
109.10162	14.6
111.08093	8.7
113.06010	10.1
113.09607	1.9
116.99502	2.2
117.07015	6.7
119.07807	2.7
119.08590	34.0
121.06485	8.3
121.10146	32.8
123.08035	11.4
123.11687	5.9
125.05994	18.8
125.09637	2.7
129.07025	3.5
130.07770	2.7
131.08568	11.9
133.10135	11.3
135.08080	8.8
135.11702	8.1
137.05937	2.3
137.09621	43.1
140.84737	1.6
143.08580	3.3
145.06606	1.9
145.10143	29.6
147.08052	67.6
147.11679	16.8
149.09624	14.7
149.13226	2.7
151.07518	5.3
151.11191	3.1
151.14790	4.2
153.09102	3.5
155.10652	3.7
157.10086	3.6
159.08041	4.1
159.11687	5.9
160.08826	2.4
161.09624	3.5
161.13269	2.9
163.11179	52.3
163.14819	2.8
165.09091	4.4
171.11720	2.9
173.09634	5.3
173.13310	7.7
174.99231	5.8
175.11208	10.3
179.14320	16.9
181.12241	12.8
187.11182	8.5
187.14870	6.0
189.12793	3.4
191.10686	4.4
191.14311	10.5
193.12239	7.3
195.10057	3.2
197.09521	1.8
205.12209	6.0
205.15901	5.8
207.13785	6.4
215.10646	6.9
215.14282	10.9
233.11652	6.8
233.15363	56.4
251.05183	2.0
251.12720	18.2
251.16423	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1643
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.01004	0.9
53.03931	3.0
55.01869	1.6
55.05510	7.5
57.03420	2.5
57.07077	0.9
59.04986	1.5
65.03935	2.6
67.05506	24.0
69.07072	6.9
70.91910	1.7
71.04990	2.6
72.13090	0.9
72.79225	0.9
75.52560	0.9
77.01608	1.1
79.05499	27.9
81.03416	3.1
81.06591	1.6
81.07061	28.4
83.04969	2.2
83.08633	2.0
91.05486	36.4
93.07053	17.1
95.04971	7.5
95.08607	13.7
95.99748	1.1
97.06528	2.4
98.98472	100.0
103.05460	2.9
105.03407	1.2
105.07038	30.3
107.04953	10.7
107.08605	8.0
109.06513	7.0
109.10148	6.1
115.05427	2.1
116.99509	2.2
117.07012	11.8
119.07814	1.6
119.08593	22.3
121.06493	4.3
121.10162	4.7
123.08076	2.2
123.11667	1.5
129.06981	3.8
129.91510	0.9
131.08569	20.2
133.06506	2.4
133.10152	5.9
135.08046	3.2
135.11667	1.2
137.09621	1.1
140.01143	1.3
141.06993	3.4
143.08551	2.0
145.10147	6.3
147.11684	1.6
149.09622	2.5
153.09010	1.0
155.08524	3.1
159.11726	2.8
169.10141	3.8
171.11794	4.9
171.12970	0.9
173.13252	3.4
174.99257	5.2
187.11209	0.9
187.14822	5.5
197.13277	4.7
205.15919	3.0
215.14317	3.8
233.15375	25.5
251.16470	8.3
251.20061	3.3
254.84656	0.9
269.10495	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	251.1645
Annotation	7-Isobutyryloxythymol methyl ether
Peak:m/z	Relative Intensity
52.71078	0.6
53.03941	1.5
55.01884	1.1
55.05508	3.6
56.96573	1.6
57.03434	0.9
57.07079	4.5
59.05003	3.1
67.05510	5.5
69.03436	1.9
69.07071	3.9
69.88218	0.7
70.79417	1.4
71.04998	57.2
79.05500	6.2
81.03419	2.1
81.07068	8.6
83.04982	11.7
83.08627	2.4
85.06551	2.0
91.05495	4.6
93.07051	9.8
95.04970	12.8
95.08617	9.4
97.06527	9.1
97.10194	1.2
98.98473	100.0
103.05460	0.8
105.07037	7.1
107.04958	2.0
107.08597	9.9
109.06521	3.5
109.10159	5.4
109.84944	0.6
110.48981	0.6
111.04421	1.0
111.08099	1.0
113.06029	2.1
116.99503	1.4
117.07033	2.2
119.08591	5.5
121.06528	3.7
121.10159	12.8
123.08049	4.7
123.11749	4.8
124.17425	0.7
125.06003	30.7
125.09666	0.9
127.07520	0.7
129.07007	1.1
130.07803	1.0
131.08589	5.1
133.06535	1.3
133.10139	4.4
135.08060	1.8
135.11711	4.3
137.06000	1.3
137.09613	2.9
139.03902	2.1
140.01077	1.0
143.08562	0.9
145.06465	0.8
145.10123	8.3
147.08054	2.7
147.11707	2.2
149.09634	8.5
149.13298	0.8
151.07567	7.2
151.11287	1.1
157.10049	0.9
159.11673	1.8
163.03893	1.2
163.07509	0.9
163.11188	40.6
165.09149	1.3
167.10696	1.4
171.11653	0.9
173.09554	0.7
173.13286	1.2
174.99249	5.2
175.11172	1.4
177.05663	0.7
177.09129	2.5
181.10687	1.2
181.12228	17.7
187.14813	2.6
187.47868	0.7
189.12726	2.1
190.11148	0.8
191.10628	1.8
191.14273	2.1
193.12239	2.0
195.10167	2.6
197.13258	1.0
199.11751	0.9
205.12274	0.8
205.15817	1.0
207.13889	1.0
215.14374	3.7
223.07825	0.8
233.15381	10.6
251.05139	1.1
251.16418	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37994	0.3
65.44888	0.4
68.99791	0.4
69.03448	0.5
70.02946	0.5
71.05194	0.7
71.05537	0.5
79.05495	0.9
87.00827	2.6
91.05503	1.1
93.07080	1.0
95.06757	0.4
98.06040	0.7
98.98470	1.0
101.89780	0.4
103.05474	7.1
106.07394	0.4
107.04958	0.4
118.06548	9.9
120.08105	100.0
128.04980	1.1
131.04982	0.6
136.06183	7.5
146.06006	18.3
148.07582	3.6
149.05975	0.4
158.08115	0.4
164.07112	0.5
166.08659	2.3
166.99980	0.5
188.07074	17.4
192.06577	2.0
206.08122	66.6
216.06586	0.7
216.18037	0.4
234.07607	1.9
234.13474	1.1
252.08707	1.9
252.14516	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	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32001	0.5
55.05526	1.4
67.76825	0.6
71.51701	0.7
79.05495	5.0
81.07059	3.0
81.69730	0.5
86.06082	1.2
87.00830	3.0
91.05508	1.7
93.07043	1.4
94.04091	1.0
95.04951	0.6
96.22108	0.6
98.06069	4.1
98.98478	6.1
103.05479	7.3
104.03474	8.1
104.04108	1.0
106.06562	3.6
107.04968	13.8
118.06552	9.6
119.03551	1.4
120.08115	100.0
128.04982	1.3
131.04961	5.1
136.06194	78.7
137.04622	1.0
141.98029	0.6
146.06020	17.9
148.07535	2.8
149.05954	1.7
149.09619	1.3
150.67363	0.6
164.07007	0.6
166.08640	2.5
166.99449	0.6
188.07088	17.7
192.06555	5.3
205.98933	0.8
206.08138	66.8
209.18169	0.7
216.06624	0.7
234.07591	2.5
234.13512	12.7
252.08826	2.2
252.14526	48.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
57.07064	2.7
60.04536	1.1
67.05508	11.6
69.03436	5.0
69.07059	4.0
70.06570	0.9
70.90087	2.3
71.04987	3.3
75.97925	0.9
81.07095	1.1
84.08138	1.9
85.06544	10.2
86.09764	1.0
86.97462	1.0
87.00835	57.3
87.04480	6.0
88.03981	1.5
91.05447	1.0
95.04976	17.6
98.98464	13.7
103.07588	4.5
105.01873	39.1
113.06009	31.3
120.08117	2.5
121.06502	6.3
129.10201	1.4
131.07050	6.2
136.06187	19.8
138.09093	1.5
145.96649	1.4
149.06046	1.3
163.97762	1.4
166.08653	3.6
171.06535	1.6
171.10220	0.9
181.08611	2.7
187.97885	0.8
189.07629	5.0
205.98773	3.5
206.08142	1.2
206.75381	1.0
217.07086	100.0
224.03838	2.6
229.00305	2.6
234.07675	1.2
252.13034	1.3
252.16129	1.7
252.23294	1.4
253.84158	1.0
261.00049	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1094
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
51.36150	0.2
52.22384	0.2
55.01869	0.3
55.05502	0.3
57.03436	0.3
57.07077	0.3
58.06583	0.3
60.08171	0.3
60.71882	0.2
63.23512	0.2
67.05498	0.4
69.03424	0.9
69.07062	0.4
70.06594	0.4
71.04998	0.8
71.30849	0.3
73.02922	1.3
81.03422	0.5
84.08144	0.7
85.02900	0.8
86.09703	0.6
87.00832	0.8
87.04433	0.4
88.04008	0.3
94.04041	0.4
95.04958	0.4
95.06104	0.3
97.02862	0.4
97.06567	0.5
98.98470	2.4
99.04446	1.2
103.05434	0.4
105.07039	0.3
113.06029	0.3
117.05495	2.4
119.01922	0.4
119.03542	0.7
121.06494	0.3
124.07588	0.5
136.06192	100.0
137.04567	0.5
142.97626	0.2
143.01927	0.3
145.03461	0.3
145.96623	0.2
149.05937	0.3
155.01942	0.3
156.97487	0.5
160.07581	0.5
161.05998	0.3
163.97835	0.3
174.98671	0.2
187.02713	0.2
193.05014	0.6
205.98788	0.8
206.08197	0.6
217.07114	1.6
229.00275	0.5
229.05621	0.8
234.07642	0.9
252.02058	0.3
252.08426	0.4
252.11024	2.0
252.16180	0.3
252.20717	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.7
55.05503	1.6
57.03425	2.4
57.07062	3.2
60.04516	2.2
60.08156	2.6
61.02920	1.9
63.58412	1.0
67.05497	4.3
69.03442	8.0
69.07065	3.3
70.06583	4.3
70.08913	2.8
70.09305	2.7
71.05000	1.5
72.08172	1.2
73.02911	2.8
73.06543	3.7
79.05507	1.7
81.03415	1.7
81.07055	3.7
83.74180	1.2
84.04505	2.5
84.08158	6.2
85.02915	11.6
86.09715	1.5
91.05485	2.9
94.06556	1.1
95.08611	2.6
97.02889	5.2
98.06084	7.3
98.98472	98.6
99.04460	2.4
99.06380	2.5
100.98894	1.3
101.00886	1.6
109.02880	5.8
109.10168	2.0
111.04394	1.6
112.07616	39.3
113.07932	3.3
116.99542	2.5
119.01936	2.1
119.08598	1.5
120.08109	25.9
121.05105	5.8
123.04404	2.4
125.05957	2.2
127.03950	2.3
129.10268	1.7
130.08644	2.9
131.01930	1.8
133.06570	1.7
136.06186	6.6
136.07599	1.8
137.06529	4.4
140.05598	4.8
141.05473	1.9
143.01859	1.7
145.05011	3.2
149.05995	3.9
150.05521	1.2
153.05463	2.5
155.02010	1.5
156.97400	2.2
158.06647	26.4
159.06726	1.4
160.06346	2.7
161.03024	1.3
166.05020	2.9
166.08604	2.1
167.11783	1.2
170.06691	9.3
173.02959	1.9
174.99263	1.9
175.04626	1.3
176.07716	10.4
176.98947	1.5
184.08202	1.6
188.07674	19.6
188.92178	1.3
194.04456	1.8
194.06625	1.8
195.06567	1.9
195.11295	2.3
197.11749	3.6
198.98497	1.4
200.07756	2.7
206.98814	1.3
209.00639	4.1
211.01291	1.7
212.07698	100.0
227.01694	8.8
227.10663	4.3
230.08771	65.6
245.05074	1.5
245.11676	2.5
253.02153	2.5
253.08069	2.5
253.12379	4.9
254.13911	2.6
271.13303	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	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92346	0.8
55.01854	1.5
55.05504	2.0
57.03433	1.9
57.07067	1.8
58.62286	0.7
60.04516	0.8
61.02930	1.3
67.05489	2.1
69.03440	5.8
69.07065	2.0
70.06585	1.7
71.04984	1.3
73.02885	1.3
73.06558	63.7
79.05491	2.4
79.06148	0.9
81.03400	2.7
81.07047	2.9
84.04499	2.2
84.08131	3.5
85.02907	13.8
85.06568	1.5
86.09691	2.7
89.06019	1.4
91.05477	2.9
91.07584	2.4
93.07044	0.9
95.08586	1.5
97.02885	4.8
97.06513	1.1
98.98471	100.0
99.04449	1.7
100.98885	1.2
101.00874	1.1
102.05548	1.0
105.07002	1.9
107.08545	1.2
109.02899	4.0
109.10151	1.3
113.05931	0.9
116.98611	0.9
116.99469	2.5
119.01837	1.0
120.08125	4.6
120.38602	0.8
123.04415	1.6
127.03892	3.0
129.10213	2.3
133.10136	1.1
134.05995	1.9
136.06172	4.8
136.07617	1.3
137.06563	2.9
141.05455	1.3
145.04926	1.9
148.41266	0.9
150.05452	1.4
151.11200	0.9
152.07080	2.7
156.97481	1.2
161.09619	0.9
163.06042	1.1
165.03954	0.8
174.99165	2.6
176.98882	2.8
181.03503	1.3
188.92410	1.5
197.11691	2.8
206.98917	0.9
209.00581	0.9
227.01610	2.4
227.03894	1.8
235.07907	1.0
253.02118	0.9
253.06714	1.4
253.09399	1.0
253.11766	4.8
271.03052	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	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
53.03939	4.2
53.83267	1.0
55.01878	7.4
55.05515	8.4
56.96563	1.2
57.03447	1.4
57.07079	1.9
58.83941	1.1
63.85479	0.9
65.03927	1.8
67.05503	14.7
69.03437	8.1
69.07072	6.8
69.94444	4.6
71.01339	1.7
71.04987	7.6
79.05076	1.9
79.05498	25.5
81.03423	6.4
81.07062	46.1
83.04978	9.4
83.08604	4.6
85.02900	4.3
85.06515	4.1
86.09721	1.9
91.05483	20.8
93.06488	2.2
93.07050	43.8
95.04972	16.4
95.08614	18.0
97.02879	2.9
97.06538	18.2
97.10197	1.1
98.20896	1.6
98.98473	100.0
99.04459	10.3
100.98870	1.8
101.06004	2.1
101.47357	1.1
103.05471	1.7
105.04489	1.3
105.07038	28.5
107.04953	6.1
107.08608	18.8
109.02896	9.4
109.06527	27.5
109.10149	5.1
111.08117	7.2
113.06018	4.5
117.07043	3.9
119.04906	3.2
119.08594	20.5
121.06510	72.4
121.10147	3.6
123.04424	7.7
123.08076	7.7
125.06004	6.8
127.03930	2.7
127.07531	10.9
128.06242	1.9
129.07043	6.9
131.04848	1.3
131.08568	6.8
133.06499	4.4
133.10138	14.8
135.04419	5.3
135.08073	12.7
135.11736	1.7
137.05965	4.1
137.09604	2.6
139.03864	1.3
139.07538	21.4
141.05453	2.5
142.07747	4.3
142.47142	1.1
143.07025	3.3
143.08569	10.0
145.06427	1.7
145.10121	8.0
147.08012	6.1
147.11697	29.0
149.09631	2.7
149.13243	1.4
151.03929	1.7
151.07567	3.4
151.11134	2.7
154.07809	1.2
155.08545	1.9
156.09337	4.4
157.04994	1.4
157.06401	2.3
157.08755	2.3
157.10114	15.6
159.07991	1.4
160.08759	1.3
161.06001	3.0
161.09596	4.3
161.13252	11.5
163.11143	1.9
163.14862	1.5
165.07014	1.6
165.08963	1.1
165.12785	4.5
166.07823	3.0
171.07947	1.9
171.11673	18.5
173.09622	3.6
174.99223	3.2
175.07568	1.2
175.11206	23.4
176.98964	2.4
179.07004	3.3
181.10100	4.8
184.08780	2.2
189.09140	1.3
189.11090	1.7
189.12756	25.9
191.10559	3.2
193.12268	21.6
197.11749	2.2
199.11195	29.0
207.13786	12.3
209.08044	1.4
217.12253	81.2
235.13303	61.7
235.16818	1.7
241.05255	1.4
253.07048	3.4
253.10422	2.0
253.14349	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	253.1436
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
50.66688	1.2
53.03936	5.5
55.01876	6.4
55.05513	9.1
57.03435	2.7
57.07054	3.7
63.74552	1.2
65.03933	2.1
66.07220	1.1
67.05511	17.7
68.99785	1.5
69.03439	8.8
69.06796	1.1
69.07072	11.8
69.94367	2.6
69.94781	4.4
70.06570	1.3
71.05000	9.1
77.50867	1.4
79.05071	2.3
79.05495	23.8
81.03429	8.0
81.07066	55.3
83.04977	11.4
83.08636	6.8
85.02911	5.9
85.06540	5.9
87.04463	1.4
88.84639	1.2
91.05491	24.9
93.07050	52.0
95.04980	17.8
95.08060	2.0
95.08618	27.1
97.02885	3.9
97.06535	21.5
97.10131	2.0
97.70786	1.6
98.20864	1.4
98.98476	100.0
99.04473	9.4
99.08105	1.5
100.98830	1.4
101.06020	2.4
103.05491	2.0
105.04550	1.3
105.07040	35.0
107.04961	9.3
107.08607	22.2
109.02895	12.5
109.06528	30.8
109.10166	4.4
110.28616	1.3
111.04433	2.9
111.08109	8.2
112.38758	1.7
113.05991	4.9
114.15115	1.2
115.05440	1.7
116.99471	1.4
117.07011	4.6
119.04974	2.5
119.08593	19.9
121.06515	86.8
121.10114	6.8
123.04443	9.6
123.08091	6.6
123.11646	1.7
125.05973	6.9
127.03915	3.7
127.07566	13.1
128.06177	3.4
129.07048	6.4
131.08595	7.4
133.02855	1.3
133.06543	6.5
133.10146	21.3
133.33582	1.3
135.04427	5.8
135.08049	16.0
135.11696	2.5
137.05992	6.7
139.07561	27.5
140.54654	1.2
141.05466	3.8
142.07765	5.1
143.07025	5.6
143.08583	11.3
145.10185	8.9
147.08092	6.7
147.11699	29.4
149.13159	1.8
151.03809	1.6
151.07512	3.0
151.11166	2.7
153.09093	1.9
155.08647	1.2
156.09380	3.8
157.08783	2.4
157.10115	17.6
158.07242	1.4
161.05946	3.5
161.09596	4.4
161.13255	14.4
163.11205	1.4
163.14803	2.7
165.07001	1.7
165.12746	7.9
166.07756	3.5
171.08078	2.9
171.11716	18.2
173.09599	4.3
173.13179	1.8
174.99213	2.9
175.07512	3.0
175.11200	27.7
176.98921	4.9
179.07045	4.5
179.10754	1.8
181.10168	6.2
182.89517	1.2
184.08855	2.2
189.09148	1.7
189.12747	31.5
191.10526	5.9
193.12274	25.4
197.11702	2.4
199.11194	36.1
207.13824	14.6
209.07962	2.0
217.12239	99.4
234.32056	1.6
235.13303	68.2
241.05258	2.0
253.07140	3.1
253.10530	2.9
253.14342	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1435
Annotation	3alpha-Hydroxyoreadone
Peak:m/z	Relative Intensity
51.02378	0.6
51.85954	0.5
53.03951	1.9
55.01870	3.0
55.05520	6.3
57.03432	1.0
57.07073	0.6
61.02916	0.6
65.03954	1.7
67.05508	11.8
67.50583	0.4
69.03442	4.8
69.07066	6.1
70.04704	2.2
71.01366	0.8
71.04999	8.2
71.08639	0.8
72.65362	0.5
76.17884	0.5
77.03932	1.2
77.79160	0.4
79.05493	22.7
81.03421	2.1
81.07059	44.7
83.04986	5.3
83.08614	3.1
85.02901	0.8
85.06544	3.8
85.06996	0.6
90.50641	0.5
91.05480	16.1
92.65594	0.5
93.07049	39.7
95.04375	0.8
95.04972	12.4
95.08615	18.7
97.06535	15.2
97.07155	0.9
98.98470	18.5
99.04462	7.4
100.11267	1.3
103.05478	0.8
105.04522	0.8
105.07037	26.0
107.04967	7.1
107.08600	19.7
109.02888	3.3
109.06519	36.1
109.10159	3.8
111.04438	1.2
111.08093	3.8
113.06029	2.7
115.05451	0.7
115.07590	0.6
116.49333	0.5
117.07032	2.8
119.04929	1.2
119.08585	17.4
121.06509	100.0
121.10106	3.6
123.04414	4.3
123.08075	4.7
123.11728	2.0
125.05991	4.5
125.09676	0.6
127.07573	10.2
128.06204	2.4
129.05513	0.8
129.07007	5.0
131.08575	5.8
133.06476	5.1
133.07364	0.7
133.10146	9.5
135.04413	6.2
135.08066	8.5
135.09029	1.0
135.11684	1.3
137.05995	3.7
137.09596	0.7
139.07541	15.2
139.11238	0.7
141.05453	1.6
141.07014	1.5
142.07780	4.1
142.86046	0.6
143.07051	1.7
143.08569	10.3
145.06555	0.9
145.10130	7.8
147.08075	5.0
147.11694	26.4
149.09628	1.2
149.13266	0.9
151.07565	2.6
151.11232	1.1
153.07001	0.8
155.07047	0.8
155.08569	1.3
156.09331	4.1
157.06512	1.5
157.08649	2.1
157.10120	14.1
158.07306	1.3
159.06557	1.1
159.08089	1.1
160.08781	0.7
161.06020	2.4
161.09683	1.6
161.13264	14.2
163.11183	1.2
163.14804	1.5
165.07013	2.3
165.12740	4.0
166.07811	3.3
168.13885	1.0
170.07387	0.6
171.08081	1.5
171.11696	15.7
173.09624	2.8
173.13301	1.2
175.07524	0.5
175.11183	19.2
179.07043	0.7
179.10635	0.5
179.14250	0.9
181.10130	5.6
184.08878	1.9
184.58978	0.6
185.16446	0.6
185.26642	0.5
189.09148	0.8
189.12747	24.2
191.10722	1.1
193.12250	14.2
197.11659	0.7
199.11191	33.8
207.13805	12.0
211.13312	1.7
217.12245	94.5
218.12627	0.6
223.91280	0.5
235.13303	47.3
253.14351	28.7
253.18898	1.1
253.19603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	8,10-Dihydroxy-2,6,10-trimethyl-2,6,11-dodecatrien-4-one
Peak:m/z	Relative Intensity
53.03945	0.5
55.01879	0.6
55.05520	1.6
56.96561	0.5
57.03444	0.5
57.07070	1.0
61.35265	0.3
67.05509	7.1
69.03435	43.1
69.07084	2.1
69.80730	0.3
71.04996	0.4
71.51932	0.5
73.06535	0.6
77.01586	0.5
79.05500	3.7
81.03391	0.5
81.07059	8.1
83.04993	1.0
83.08620	1.4
84.84339	0.4
85.06543	1.3
91.05489	6.3
91.06033	0.6
93.07053	4.4
95.04980	1.2
95.08614	5.9
97.06551	2.8
97.10191	0.7
97.25531	0.3
98.98474	100.0
99.08103	0.7
100.98900	1.5
105.03396	1.0
105.07037	4.0
106.95470	0.3
107.08605	3.8
109.06482	1.7
109.10155	3.1
111.04427	0.5
111.08062	0.7
116.99496	1.7
119.08575	2.7
121.06497	0.6
121.10149	2.2
123.08080	2.3
123.11723	1.3
125.05999	0.5
127.34338	0.3
129.07036	0.5
131.08578	1.0
133.10143	9.0
135.08038	0.4
135.11693	0.8
137.09612	1.5
137.35744	0.4
140.01118	1.5
143.08601	0.4
145.10167	0.3
147.11726	2.7
149.09662	1.4
149.13321	1.0
151.11200	2.7
152.84181	0.3
157.10161	0.9
161.13307	0.6
163.07610	0.6
165.12758	0.5
167.79494	0.4
171.11719	0.5
173.13213	0.5
174.99239	2.4
175.11237	0.9
175.14899	0.5
176.98946	2.6
189.12819	0.4
189.16379	1.8
193.12271	0.8
197.11794	0.7
197.13336	0.4
199.14877	1.2
206.99034	0.4
207.17499	1.6
217.15884	2.3
221.15533	0.4
235.16959	14.9
253.14421	1.2
253.17769	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02942	5.8
64.72639	1.3
70.12072	5.8
71.01366	5.8
75.04485	13.6
87.04503	4.8
89.02400	2.2
97.04779	1.4
98.98484	1.9
103.03944	15.4
103.04477	1.5
114.28300	1.2
131.03424	5.2
137.81265	1.4
159.02895	45.7
187.02431	4.3
219.05016	100.0
254.05092	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	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56303	1.3
61.02918	4.6
63.06710	1.3
70.95725	3.1
71.01358	7.0
71.46210	1.4
75.04486	15.5
75.82756	1.2
87.04462	3.0
89.02374	2.1
103.03946	20.1
113.48700	1.4
121.08439	1.2
131.03407	5.8
131.04295	1.4
155.92915	1.3
159.02904	48.6
195.11256	2.4
219.05017	100.0
232.55977	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	254.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
53.42970	0.7
60.08166	81.2
65.03941	5.7
70.06567	0.9
71.45045	1.6
85.02922	1.0
86.03242	0.7
87.04482	0.9
91.05487	7.5
93.03408	24.4
98.06062	1.9
98.98480	1.6
107.04961	1.5
110.03654	2.0
111.04446	10.5
114.48907	0.9
119.01868	1.1
119.04978	5.1
121.06549	2.1
125.05996	41.8
125.07001	2.0
127.03993	1.1
134.03639	0.9
135.04407	0.8
149.05989	86.3
151.07573	1.7
153.05470	100.0
153.50140	0.8
159.02905	1.5
167.11803	2.1
171.04932	0.8
177.05498	6.0
188.92436	1.6
194.12938	1.5
195.06532	74.8
195.11287	9.9
219.04944	1.7
231.07133	1.2
254.13882	62.0
254.16200	7.6
273.35400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.7
57.03437	2.7
57.13900	0.5
61.02928	0.9
61.51345	0.4
69.03435	2.0
69.95437	2.0
71.01365	0.9
73.02917	1.8
76.00024	0.5
78.03442	0.9
80.05019	2.3
85.02909	1.9
97.02896	0.9
98.98494	1.0
106.02913	5.4
115.03929	1.7
123.05563	100.0
124.03991	1.0
133.05003	3.3
242.56760	0.6
255.06223	5.0
255.08583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04068	10.9
69.72204	33.6
69.72610	26.2
98.21535	12.9
101.00856	12.8
104.23370	16.6
118.98656	12.4
119.01892	19.9
124.14551	11.6
142.03528	15.5
156.97456	27.6
168.16992	13.6
174.39853	11.7
255.01192	18.1
255.06349	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
55.01874	6.0
55.05515	29.4
57.03440	45.5
57.07076	5.1
65.03927	3.0
67.05506	80.1
69.07079	26.4
69.28184	23.0
71.04982	9.2
79.05496	72.3
81.03409	12.2
81.07053	42.5
83.04991	24.0
83.08620	10.7
85.02879	3.7
85.06543	10.7
91.05480	37.3
93.07044	82.7
95.04955	9.7
95.08604	19.9
97.06542	25.2
97.10168	14.8
98.98470	43.1
99.08083	4.6
105.07048	15.1
107.04949	4.0
107.08598	47.5
109.10150	11.6
111.08086	3.5
115.05413	3.4
117.07008	12.3
119.08585	20.2
121.06522	5.3
121.10151	16.9
125.09661	3.6
128.06232	3.0
129.07004	3.5
130.07777	4.5
131.08545	7.7
133.10117	11.7
135.08009	2.8
135.10710	5.8
135.11702	100.0
135.12727	5.7
137.09639	3.9
137.17476	2.8
139.11229	3.2
142.07747	4.5
143.08557	17.1
145.06490	3.2
145.10121	26.7
147.08076	2.9
147.11623	3.7
153.12769	3.9
155.08580	5.5
157.10165	15.2
159.08167	2.7
159.11641	5.7
161.09671	4.0
163.11238	15.2
165.07002	5.3
169.10109	5.5
171.11696	9.9
173.09615	4.7
181.10043	3.4
181.10883	2.7
181.12230	20.6
183.11668	5.5
185.09615	5.6
185.13336	3.9
187.11171	3.7
195.11674	7.9
199.11215	8.8
199.14870	3.6
209.13364	3.3
211.14891	4.9
213.12796	5.4
213.16287	5.4
227.17906	4.1
237.16417	8.0
255.06456	8.9
255.10352	5.3
255.15773	50.1
255.17606	42.5
255.21182	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03950	6.1
55.01881	2.6
55.05515	31.3
57.03443	48.3
57.07078	7.1
59.05008	1.9
65.03954	2.5
67.05510	81.4
69.03447	2.0
69.07069	36.2
70.06609	2.0
71.01361	5.2
71.04987	8.8
71.08641	4.3
79.05496	74.9
81.03416	8.6
81.07063	41.3
83.04996	26.1
83.08622	10.7
85.06559	7.3
88.07622	3.9
91.05482	27.9
93.07049	80.5
95.04973	7.4
95.08610	19.3
97.06538	25.1
97.10177	17.4
98.98471	17.2
99.08106	3.3
102.09182	2.9
105.04552	2.4
105.07053	7.5
107.04932	2.3
107.08604	52.3
109.06563	3.4
109.10144	13.4
111.08083	3.6
113.09686	1.5
117.07029	8.5
119.08605	12.6
119.09329	2.3
121.06526	2.7
121.10153	12.3
125.09628	2.3
129.06987	3.9
131.08548	1.8
133.10146	6.7
135.08130	2.7
135.11703	100.0
137.09630	4.1
143.08575	6.1
145.10129	21.9
149.13303	2.2
153.12764	3.5
157.10159	3.4
159.11681	2.6
163.11186	14.4
170.20807	1.5
171.11794	2.8
181.10146	2.1
181.10654	2.2
181.12259	19.8
185.09636	1.9
185.15881	1.5
190.24849	1.6
195.11859	1.7
197.13220	2.0
199.13263	1.7
199.14891	2.1
219.21199	1.7
237.16527	2.3
251.11880	2.0
255.15726	84.6
255.21303	4.6
256.26416	13.5
263.83664	1.9
270.30402	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.159
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03915	3.8
55.01843	4.0
55.05511	25.7
55.57029	1.3
57.03437	47.9
57.07049	3.4
64.10225	1.2
65.03913	2.6
67.05505	66.0
67.05839	2.4
69.07069	22.3
71.01319	5.8
71.04997	10.2
71.52435	2.0
75.26984	1.4
79.05495	60.6
81.03432	7.1
81.07060	34.6
83.04965	17.9
83.08598	10.3
85.06497	4.9
91.05486	28.9
93.07044	69.0
94.71728	1.5
95.04918	6.0
95.08611	14.6
97.06524	19.2
97.10162	17.8
98.97549	2.0
98.98465	20.6
99.04407	2.8
99.08025	4.1
105.04449	1.3
105.07006	7.2
107.04931	2.8
107.08592	51.9
109.06435	3.5
109.10156	9.7
111.04353	1.8
111.08021	4.1
117.06997	8.4
119.05953	1.2
119.08585	13.6
121.06449	3.9
121.10141	16.3
125.05920	1.5
125.09552	4.0
129.06964	1.5
131.08478	1.7
133.10121	6.8
135.08020	2.9
135.11688	100.0
137.09590	3.5
137.47842	1.2
143.08492	3.5
145.10117	19.1
149.02269	2.0
153.12645	5.1
157.10109	3.4
159.11610	2.3
163.11189	14.9
171.11687	3.1
176.98885	1.8
181.12231	23.3
185.06065	1.4
199.13039	1.6
208.54375	1.5
209.05714	1.5
209.62878	1.3
213.16245	2.2
216.88834	1.6
219.21027	1.9
227.06599	1.6
227.17967	1.4
255.06355	6.0
255.11197	2.8
255.15715	61.6
255.20909	6.9
275.43378	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	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03931	4.4
55.01860	4.2
55.05511	24.7
57.03441	41.9
57.07055	3.1
62.73837	1.0
64.31490	1.0
65.03920	3.0
67.05508	68.2
69.07076	18.4
69.94407	4.2
71.01360	6.0
71.04996	7.2
79.05497	61.9
79.27583	1.0
81.03409	7.9
81.06611	2.1
81.07062	34.6
83.04987	20.0
83.08607	7.0
85.02903	1.3
85.06558	5.5
90.58751	0.9
91.05491	25.4
93.07047	70.3
95.04962	5.6
95.08619	13.1
95.90684	1.2
97.06529	20.2
97.10168	17.9
98.20870	1.2
98.98466	11.5
99.04433	2.1
99.08072	3.5
105.04491	2.2
105.07035	7.0
107.04955	2.5
107.08601	47.6
109.06488	2.5
109.10168	9.4
111.08091	2.6
111.11731	1.3
117.07011	6.8
119.08582	11.2
121.06496	2.8
121.09330	1.4
121.10154	14.0
123.11668	1.5
125.09612	3.7
128.06151	1.4
130.07777	1.2
131.08575	1.6
133.10182	5.5
135.08017	2.3
135.11699	100.0
137.09601	3.6
143.08562	1.6
145.10117	16.4
149.13206	1.1
153.12704	5.1
157.10118	2.1
159.11618	1.8
160.24834	1.1
163.11182	13.8
167.08482	1.1
171.11636	1.6
181.12245	24.3
184.09816	1.5
197.07043	2.4
197.13377	1.3
198.07858	1.4
199.12250	2.3
202.58173	1.0
210.09142	1.8
211.08621	3.7
212.09404	4.3
213.08359	1.1
225.06483	2.4
227.08258	5.3
227.11830	10.5
239.08089	2.7
240.09068	5.4
250.67017	1.1
255.11424	28.1
255.15849	61.6
255.21164	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	255.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.1
53.14995	1.0
55.01857	3.4
55.05516	24.3
56.96581	1.1
57.03442	44.7
57.07055	4.5
65.03930	1.7
67.05508	69.0
69.07076	21.9
69.79716	3.0
69.80123	2.5
71.01375	7.3
71.04995	8.2
71.08612	1.3
72.71508	1.1
73.23192	0.9
77.70509	1.0
79.05499	61.3
81.03432	7.6
81.06611	2.1
81.07066	34.6
82.07362	1.3
83.04978	14.8
83.08618	7.9
85.02882	1.1
85.06558	5.1
91.05488	23.5
92.33959	1.0
93.07050	65.6
95.04939	4.5
95.08073	1.2
95.08614	14.0
97.05947	1.1
97.06538	20.0
97.10175	17.9
98.98473	15.6
99.04428	2.0
99.08072	3.8
100.98887	1.6
105.04499	1.3
105.07030	6.0
107.04926	2.1
107.08601	46.2
109.06488	2.4
109.10163	10.8
111.04420	1.4
111.08031	4.7
111.11723	1.4
117.07028	8.9
119.08581	9.9
121.06501	2.9
121.10141	13.7
123.08031	1.7
125.05968	1.1
125.09605	4.0
130.07724	1.8
131.08575	1.1
133.10146	5.5
135.08032	3.6
135.11702	100.0
136.07521	1.4
137.07877	1.3
137.09569	2.5
143.08533	2.5
145.10132	18.4
149.13275	1.7
151.11115	1.6
153.12759	3.6
159.11723	1.4
163.11206	16.8
165.06941	1.0
167.08508	1.0
171.11682	2.0
173.13229	1.1
176.98865	1.2
181.12242	22.0
185.13242	1.9
193.05084	1.1
199.13124	2.2
213.16348	2.0
237.14644	2.5
237.16632	3.6
237.18687	1.5
241.84445	1.0
255.06479	2.5
255.15836	63.1
255.21043	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	255.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.7
55.01862	4.2
55.05513	24.9
57.03441	44.8
57.07057	6.5
63.06801	1.5
65.03937	3.5
67.05508	72.1
69.03401	2.5
69.07069	21.7
69.28488	14.5
70.06579	2.4
71.01332	5.4
71.04971	6.7
79.05499	65.0
81.03427	10.5
81.07065	33.5
83.04990	21.7
83.08598	6.3
85.06525	5.3
91.04993	2.1
91.05489	30.4
93.07050	76.0
95.04939	6.0
95.08617	14.4
97.06532	21.0
97.10179	18.3
98.97550	2.1
98.97820	1.7
98.98473	21.5
99.08057	4.5
104.74487	1.4
105.06993	5.5
107.04944	4.1
107.07904	3.0
107.08603	55.2
109.10149	9.3
111.08047	3.6
117.07003	7.7
119.08588	11.7
121.06394	2.7
121.10133	13.8
125.09616	3.8
129.07018	1.8
131.08565	2.3
133.10086	6.4
135.08115	3.3
135.11697	100.0
137.09592	4.3
139.11165	1.9
143.08467	1.7
145.10120	16.3
149.02338	1.7
153.12714	3.6
157.10143	2.4
163.11201	11.7
181.12233	16.7
184.47050	1.6
199.11198	2.6
199.13142	2.3
209.14632	1.5
219.21254	1.4
237.22014	1.6
250.69647	1.5
255.15862	84.6
256.26343	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	256.3
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
57.07080	4.6
58.06588	1.4
60.08167	17.4
70.06587	0.2
70.97420	0.2
70.97752	0.3
71.08632	2.4
77.83909	0.1
85.10202	1.2
89.61678	0.2
97.50050	0.2
122.60297	0.2
215.01817	0.2
256.29996	100.0
257.30405	0.4
263.57016	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	256.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86156	5.8
69.42168	26.1
69.42497	4.4
76.56541	4.0
94.93021	36.9
96.99599	5.2
100.48074	5.0
112.89578	12.7
123.05566	34.0
124.05882	14.9
125.04279	7.3
125.06134	10.4
135.07872	5.7
136.94038	100.0
148.94046	76.9
161.20299	4.4
166.95085	38.7
196.96342	7.2
238.97147	7.8
256.98123	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
50.19608	0.6
55.01864	0.9
55.05513	8.1
57.03437	2.1
57.07071	1.3
65.03964	0.9
67.05506	19.2
69.07076	4.8
71.04985	1.5
71.52395	0.8
71.52802	0.9
72.89031	0.6
74.88106	0.6
76.80493	0.5
79.05495	8.9
81.07057	14.7
83.04993	1.5
83.08624	3.9
85.06554	1.8
91.05486	16.2
93.07044	9.1
95.04982	1.8
95.08614	12.8
97.06525	2.8
97.10168	0.9
99.08099	0.7
104.89675	0.6
105.07038	13.3
107.04996	0.9
107.08607	5.0
109.06495	1.4
109.10148	5.4
111.08081	0.8
115.05460	3.1
116.06233	2.0
117.07021	27.3
119.08582	11.3
121.06528	0.7
121.08797	0.6
121.10173	4.4
123.08060	1.2
123.11697	1.0
125.09636	1.0
128.06210	4.2
129.07011	14.3
130.07788	3.3
131.08575	51.5
133.06485	2.7
133.10149	7.7
135.08040	2.1
135.11694	1.5
137.09605	1.7
141.06996	6.5
142.07764	2.4
142.39488	0.6
143.08569	17.8
144.09325	1.8
145.06454	2.5
145.10127	70.6
147.08044	2.2
147.11684	4.7
149.09622	1.2
149.13281	0.9
151.11256	0.9
153.07054	0.8
154.07785	1.7
155.08560	8.9
156.09357	1.1
157.10138	18.9
159.08087	2.9
159.11697	29.1
161.09654	4.4
161.13211	3.5
163.11244	2.2
165.12729	1.3
167.08553	1.1
168.09293	1.5
169.10123	13.6
171.11696	19.7
173.09665	3.4
173.11778	1.1
173.13260	14.1
175.11177	3.2
175.14848	1.4
181.10098	0.7
183.11705	13.9
185.13269	4.8
187.11220	4.9
187.14836	1.9
189.12733	1.5
195.11682	0.7
197.13287	13.2
198.14056	0.8
199.14845	3.6
201.12718	2.8
201.16354	1.4
210.14096	0.8
211.07533	0.7
211.14864	4.6
213.16422	2.2
215.03552	0.7
215.14319	2.6
215.18048	1.4
229.19533	4.3
239.17953	28.5
257.19025	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05506	4.8
65.41669	1.1
67.05503	8.3
69.07058	4.5
70.70042	3.8
70.93505	1.4
71.04974	3.5
77.10502	1.2
79.05485	8.4
81.07063	6.6
83.08621	2.4
85.06546	4.2
91.05485	10.0
93.07056	15.5
94.91376	1.2
95.04966	3.7
95.08609	9.9
97.06502	2.1
105.07039	26.8
107.08599	17.7
109.06526	7.3
109.10165	9.0
111.08093	3.9
115.05424	1.7
117.07015	7.6
119.08584	24.2
121.10148	86.6
123.08064	3.3
123.11723	3.3
128.06178	2.7
129.07011	6.2
131.08594	12.5
133.10127	11.3
135.08052	28.1
135.11700	2.6
137.09599	7.5
142.07767	5.3
142.17705	1.4
143.08562	14.2
145.10136	17.7
147.11673	3.5
149.09595	6.0
149.13269	1.6
155.08534	3.6
156.09317	3.9
157.10146	23.2
158.10880	2.0
159.11719	15.4
161.09605	2.2
161.13289	2.2
163.11192	5.3
168.09306	2.2
169.10120	9.6
171.11726	9.8
173.09644	1.7
173.13269	19.9
177.12706	1.8
183.11720	9.2
184.12425	2.9
185.13281	2.7
187.11139	4.0
187.14850	3.3
197.13211	6.5
199.14821	32.9
201.12732	8.4
211.14888	2.3
213.16394	10.4
214.17203	1.8
215.14461	3.0
215.17967	7.5
224.15530	1.5
239.17926	15.8
257.19016	100.0
257.26703	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	257.1902
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.01905	1.2
55.05509	8.1
57.07076	2.7
59.05012	1.1
67.05182	1.5
67.05515	20.2
69.07084	5.7
70.06577	1.5
70.97001	2.4
71.04989	2.8
72.08153	1.0
74.62528	1.2
79.05502	10.2
81.07063	10.9
83.04969	1.5
83.08606	2.8
85.06538	2.3
85.12490	1.3
91.05481	15.1
93.07053	16.5
93.26421	1.0
95.04962	3.7
95.08605	11.9
97.06524	2.7
97.10168	1.1
103.05489	1.5
105.07038	25.7
107.08604	11.8
109.06519	4.4
109.10168	10.5
111.08065	3.5
115.05452	1.7
116.06178	1.2
117.07037	22.6
119.08578	18.6
119.09370	1.6
121.10152	62.6
123.08044	2.8
123.11713	1.9
125.09706	1.3
128.06232	4.1
129.07018	17.0
130.07782	2.0
131.08577	48.7
133.10136	10.8
135.08043	18.3
135.11722	1.0
135.43526	1.1
137.09595	4.4
141.06982	5.7
142.07767	4.1
143.08572	22.9
144.09404	1.2
145.10133	54.6
147.08044	1.5
147.11662	3.2
149.09610	4.0
154.07738	2.1
155.08574	9.6
156.09381	2.5
157.10138	26.5
159.07997	1.6
159.11705	26.5
161.09596	3.2
161.13283	2.0
163.11192	2.8
169.10130	14.3
170.10954	1.2
171.11713	22.2
173.13271	20.1
175.11232	4.1
177.12810	1.9
182.10896	2.0
183.11708	20.1
184.12514	1.3
185.13248	4.2
187.11168	3.3
187.14807	1.6
195.11665	1.4
197.13266	13.1
199.14836	25.4
201.12808	2.6
211.14839	2.6
213.16377	7.4
215.14536	2.4
215.17964	5.0
227.47835	1.2
229.19623	2.1
239.17973	31.1
257.19025	100.0
257.26611	12.0
258.27890	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1901
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05513	5.7
56.96561	1.6
57.07064	3.4
66.45580	1.1
67.05236	1.0
67.05505	12.7
69.07075	7.9
69.63236	2.1
69.63645	5.3
70.98134	1.7
71.04990	3.8
71.08611	1.5
72.83482	1.2
79.05478	8.3
81.07052	8.8
82.07366	1.4
83.04948	1.4
83.08613	4.0
85.06552	4.0
91.05476	7.7
93.07048	16.3
95.04970	3.2
95.08607	16.0
97.06516	2.9
97.10240	1.3
99.08092	1.5
105.06393	2.2
105.07030	22.9
107.08594	13.9
109.06522	7.3
109.10160	12.2
111.08098	1.7
115.05421	1.5
117.07035	7.0
119.08584	18.7
121.10148	52.6
122.49094	1.4
123.08052	3.3
123.11720	2.8
128.06213	2.5
129.07001	3.9
131.08585	14.5
133.10127	12.4
135.08058	18.8
135.11696	4.0
137.09599	4.8
141.06960	2.0
142.07802	6.4
143.08543	14.6
144.09349	3.0
145.10130	25.6
147.07970	1.4
147.11673	5.7
149.09607	4.4
150.07249	1.2
155.08565	5.3
156.09352	3.4
157.10144	24.8
158.10895	3.6
159.11694	22.6
161.09676	2.7
161.13277	2.6
163.11180	2.4
168.09338	2.0
169.10127	6.5
170.10976	2.8
171.11722	12.3
172.08788	1.4
173.09676	2.5
173.13274	23.6
174.13971	2.3
175.11137	3.2
175.14777	2.5
176.30597	1.2
177.12781	1.5
182.10928	1.9
183.11700	11.9
184.12430	3.4
185.13286	3.3
187.11166	7.9
187.14821	4.5
189.12747	3.2
197.13240	7.2
199.14824	30.6
201.12711	6.9
201.16342	1.6
204.18291	1.7
209.13252	2.6
210.14075	1.5
211.14937	2.3
213.16383	9.5
214.17174	2.4
215.14384	2.6
215.18002	7.1
224.15608	1.7
229.15857	1.9
229.19539	2.7
239.17961	19.1
240.09863	1.3
257.07944	2.7
257.19028	100.0
257.22607	4.6
257.26556	11.2
257.30438	2.3
258.27917	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	258.074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08474	3.6
55.01873	4.4
57.03430	5.9
60.08168	9.2
60.14375	4.2
61.96716	4.5
69.03464	4.6
71.49224	6.2
85.02892	13.7
86.09705	19.4
89.02200	3.9
104.10753	100.0
109.07623	4.3
116.07101	13.9
117.80447	4.3
124.99998	23.5
126.06660	6.0
127.03946	6.9
133.03525	6.2
134.69348	4.0
168.04478	8.2
171.39185	3.9
173.02995	6.1
177.04965	5.8
184.07359	5.8
233.05013	11.4
258.07349	53.2
258.10788	25.1
258.14590	7.5
259.04236	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	258.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45898	0.1
53.56099	0.1
55.05513	0.2
57.05835	0.1
57.07080	4.6
58.06349	0.2
58.06583	0.9
58.06834	0.1
67.05506	0.2
69.07075	0.2
69.67397	0.7
70.06599	0.9
71.08640	2.7
72.08160	17.3
79.19873	0.1
81.07068	0.1
85.10191	0.8
88.07630	1.3
90.09200	14.2
95.08569	0.1
100.63480	0.1
118.07406	0.1
131.08607	0.1
132.08862	0.2
137.00844	0.1
144.08931	0.2
145.10118	0.2
146.10490	0.3
151.02441	1.6
153.00322	0.3
155.01891	0.3
158.10489	0.1
160.12013	0.1
169.03481	5.1
169.04930	0.2
171.01460	0.7
192.05084	0.4
198.13727	0.1
212.23604	0.2
214.25349	1.1
235.11809	2.6
240.18341	0.2
258.27930	100.0
259.28223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.6
57.06801	0.5
57.07080	10.6
57.09631	0.2
58.06606	2.1
60.04515	0.2
62.06094	7.1
69.07074	0.3
70.57050	0.4
70.85901	0.2
71.08637	5.0
72.08150	0.7
81.07045	0.3
82.37662	0.2
85.10182	2.4
90.09187	0.4
107.01868	0.2
124.30562	0.2
240.26868	4.7
258.27933	100.0
259.28378	0.4
277.16986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	10.7
57.03426	10.4
69.03413	26.4
69.93858	44.1
70.06583	30.4
85.02890	34.0
86.06055	20.5
93.11978	9.9
97.02898	92.9
100.02222	12.3
101.00839	12.5
111.05592	50.8
114.05535	69.2
119.01880	9.3
127.03876	9.7
128.07088	11.7
131.01854	13.3
143.01918	10.8
157.06047	16.3
168.54703	10.2
199.02065	15.4
201.71259	10.8
213.12390	22.7
214.70436	8.8
215.10378	14.1
235.06549	18.2
259.01938	44.5
259.04416	82.7
259.07675	10.8
259.12863	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
56.05048	0.9
56.96537	0.8
57.03434	2.0
58.99879	1.0
61.02914	1.6
61.54876	0.8
69.03428	3.2
70.06593	3.0
70.99867	4.7
71.04977	0.8
72.08158	1.3
73.02927	1.5
73.42416	0.8
74.00654	1.1
81.03423	1.2
82.99855	3.3
84.04504	1.4
84.08148	2.2
85.02914	5.4
86.09712	2.0
89.00928	0.9
91.02452	1.1
93.01897	0.9
97.02895	14.0
97.03458	1.5
98.21617	1.9
100.02207	21.9
100.02861	1.1
101.00888	28.9
103.00627	1.2
103.02442	1.3
109.02879	1.4
111.47759	0.9
113.00873	6.7
114.05550	1.2
115.02444	3.3
119.01929	38.5
121.01665	1.1
127.02451	1.5
127.03907	2.0
128.07068	1.6
129.10272	1.0
131.01903	11.2
133.01714	1.2
133.03465	17.3
137.02081	1.0
137.02989	3.8
139.00015	1.5
143.01912	5.6
145.01753	1.0
145.03456	7.2
146.02707	27.2
147.01480	0.9
149.03001	4.9
151.04567	3.4
152.05695	1.4
155.01929	1.7
156.99857	2.9
157.03517	3.0
157.52702	0.9
159.01343	1.4
161.02943	10.5
168.54613	0.9
169.05307	2.9
171.01375	9.3
171.02908	1.1
173.02977	5.3
175.00883	15.7
175.04562	1.2
177.02505	1.9
178.05852	0.9
187.00888	2.5
187.04573	1.2
189.02448	18.0
191.04051	2.7
193.01949	2.9
193.05739	1.1
199.00792	2.5
199.02293	14.4
200.29608	0.9
205.02130	1.0
207.03555	1.2
207.72513	0.8
213.06906	5.8
217.01936	28.5
217.05449	1.1
219.03658	1.0
231.03548	3.3
233.05115	1.6
234.04883	1.0
235.02997	13.7
235.06755	2.6
240.03783	1.0
241.03372	7.7
245.01472	1.6
245.05284	0.9
249.04405	1.6
259.04343	100.0
259.07382	7.1
259.12848	3.9
259.20782	0.8
277.04019	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	259.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62495	0.8
55.01871	1.3
55.05511	1.0
56.96558	1.5
57.03435	2.0
67.05492	1.7
68.23943	0.8
69.03420	3.4
69.07069	2.0
70.06594	1.0
70.11799	3.5
71.04980	2.5
72.08160	1.3
79.05502	1.8
81.03405	2.5
81.07022	1.8
83.04958	1.2
84.04494	1.2
84.08146	13.0
85.02910	9.5
86.09692	2.4
87.04460	1.5
91.05487	2.4
93.07072	1.0
95.04984	1.8
96.87639	0.9
97.02903	6.9
97.06523	3.1
101.06018	1.3
107.04978	1.1
109.06497	1.5
117.07008	1.2
121.06464	4.5
121.58774	0.8
123.08087	0.8
127.03940	1.6
129.10249	14.7
131.08609	2.3
135.04422	1.0
138.05486	1.1
143.08264	1.1
143.97679	0.8
159.08073	3.0
163.07542	1.4
163.97655	1.1
177.09114	3.6
187.04414	1.1
187.07520	1.6
205.08632	3.7
222.54143	1.0
223.09682	4.2
241.11739	3.6
241.15373	1.0
242.40607	0.8
259.04260	100.0
259.16620	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95752	0.4
55.01865	0.7
56.05049	0.9
57.03434	1.0
60.38243	0.5
61.02925	1.6
67.04242	1.7
69.03433	5.0
70.06583	1.7
71.05022	0.8
73.01122	1.1
73.02914	2.3
74.00671	6.3
78.18883	0.4
81.03436	1.0
82.99849	0.7
84.04502	1.1
84.08131	2.6
85.02908	7.0
86.06048	0.6
86.09706	1.6
91.02458	0.6
97.02896	17.7
97.06522	0.7
99.04428	0.8
100.02208	90.9
101.00890	5.2
103.00631	0.7
103.02448	0.6
105.11082	0.5
109.02866	1.0
111.05595	0.8
113.00866	1.2
114.05540	2.3
115.02438	1.2
118.03249	3.5
119.01933	9.5
121.01644	1.3
127.02435	0.7
127.03938	2.2
127.04845	0.4
128.07083	1.9
128.71841	0.5
129.10255	0.9
131.01932	2.5
133.03421	2.8
137.02939	1.0
139.02632	0.7
143.01892	1.3
145.01669	0.7
145.03453	2.4
145.04967	1.1
146.02716	100.0
147.01399	0.9
149.02953	1.2
151.04552	0.7
155.01831	0.7
156.99850	0.7
157.03497	1.0
161.03001	2.3
163.04556	0.6
169.05301	2.7
171.01389	2.0
171.04999	0.6
173.02956	1.8
175.00935	2.3
175.02776	0.9
175.04539	1.5
177.02324	0.6
178.05856	1.4
185.02931	0.7
189.02457	3.4
199.02238	2.0
211.06609	0.7
213.06946	22.2
215.00414	0.6
215.10397	0.5
217.01970	4.9
217.05519	1.1
221.05074	0.5
231.03461	0.6
233.05153	0.6
235.02998	2.7
235.06659	2.2
241.03278	1.4
247.06671	0.5
259.04309	16.4
259.07477	36.9
259.12967	2.8
277.03897	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01863	1.8
55.05513	10.3
57.07051	4.5
59.04995	1.1
64.54999	1.0
67.05505	8.0
69.03410	1.4
69.07074	34.7
69.07442	1.2
71.04997	28.8
79.05502	6.7
81.07063	19.1
83.04939	3.6
83.08622	8.7
85.06545	24.6
91.05475	11.4
93.07043	17.8
95.04956	3.0
95.08611	21.6
96.40499	1.0
97.06497	5.8
97.39970	1.1
98.21551	2.7
99.08070	3.6
105.03358	1.6
105.07037	29.7
107.08605	22.4
109.06523	11.1
109.10164	14.8
111.08081	18.9
115.05486	1.3
117.07038	8.0
119.08582	57.8
121.06445	1.4
121.10148	11.5
123.08052	2.4
123.11701	22.7
125.09606	1.7
129.07004	2.4
130.07765	2.1
130.08629	2.4
131.08553	13.8
133.09123	1.9
133.10133	38.5
135.08060	21.1
135.11691	6.1
137.09619	2.8
137.13258	1.3
142.07858	2.7
143.08553	7.1
144.09305	3.3
145.10126	33.3
146.44170	1.2
147.07980	1.3
147.11693	18.7
149.09627	2.4
149.13168	1.4
151.11116	1.9
156.09315	2.3
157.10104	11.7
158.10889	2.2
159.10469	2.1
159.11699	29.3
160.12465	3.2
161.09644	1.3
161.13261	38.7
163.11180	3.6
163.14836	1.4
170.10924	1.7
171.11687	16.1
173.13278	8.8
174.10461	1.2
175.11241	3.6
175.14828	96.9
176.15631	4.9
177.12730	4.1
177.16411	4.2
185.13246	15.4
189.12723	6.5
189.16364	7.3
190.13545	2.7
191.14365	2.2
198.14130	1.1
199.14780	5.5
201.16388	25.2
203.14302	9.1
213.16438	1.4
215.17934	6.7
216.13054	1.2
217.19543	3.7
229.15903	2.8
241.17291	1.6
241.19543	18.0
259.20575	100.0
269.45483	1.1
277.12103	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05516	11.9
57.07041	2.2
65.64397	1.6
67.05496	7.6
69.07070	29.2
71.04994	27.2
79.05502	4.9
81.07058	16.0
83.04966	5.6
83.08607	9.2
85.06081	2.2
85.06551	24.3
91.05513	9.0
93.07043	16.7
95.05013	3.1
95.08616	17.9
97.06513	4.1
99.08093	2.0
105.07041	26.4
107.08604	19.7
109.06514	7.5
109.10166	12.9
111.08097	15.2
117.07020	4.6
119.08590	50.2
121.10187	10.0
123.08047	2.0
123.11698	23.7
128.06187	1.7
129.06963	2.3
131.08585	15.4
133.10138	26.0
135.08049	17.9
135.11671	6.9
137.09589	3.3
142.07793	2.0
143.08542	7.6
145.10126	32.6
147.11682	20.8
149.09674	2.4
149.13278	2.1
156.09352	3.3
157.10130	11.1
159.11710	30.4
160.12479	2.8
161.13263	33.5
163.11156	4.9
170.10989	2.4
171.11708	18.2
173.13292	9.9
175.11299	3.1
175.14836	94.8
176.15584	5.6
177.12781	2.8
177.16414	6.4
185.13316	13.7
189.12717	6.0
189.16396	7.5
190.13486	3.3
191.14333	2.1
199.14828	3.4
201.16389	24.7
203.14342	6.9
215.17987	4.8
217.19518	4.0
229.02531	1.7
241.19521	15.2
259.20584	100.0
260.99020	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	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.05514	12.1
57.07068	3.5
67.05503	11.0
68.99812	1.3
69.03430	1.8
69.07070	39.1
70.25822	1.5
70.26180	4.5
71.04999	29.5
71.08618	2.0
79.05488	6.9
80.56699	1.2
81.07069	17.4
83.04993	6.2
83.08621	8.9
85.06548	23.5
86.13291	1.3
91.05482	12.5
93.07047	16.9
95.04961	3.7
95.08610	16.8
97.06535	4.8
97.10173	2.5
98.21349	2.1
99.08083	1.6
105.03368	3.3
105.07036	28.6
107.08602	20.4
109.06531	9.0
109.10160	15.1
111.08093	21.5
115.05454	2.2
117.07035	7.9
119.08587	61.7
120.09348	2.2
121.10145	14.9
123.08076	2.5
123.11714	23.2
129.01862	2.0
129.07002	4.3
130.07814	2.0
131.08562	12.1
133.10132	32.7
135.08057	21.0
135.11682	5.0
137.09601	4.9
137.13263	2.0
142.07782	2.8
143.08559	8.1
144.09355	1.8
145.10129	34.1
147.11699	17.7
149.09630	4.0
149.13255	2.7
151.11139	2.0
156.09373	2.8
157.10132	15.1
158.10767	1.6
159.11700	32.2
160.12466	3.3
161.09654	2.7
161.13261	39.6
163.11221	3.1
170.10803	2.4
171.11694	17.1
172.12378	1.4
173.13300	10.0
175.11229	3.7
175.14833	100.0
176.15587	7.3
177.12708	4.6
177.16379	4.9
185.13283	16.1
187.14948	2.3
189.12793	3.7
189.16437	7.1
190.13559	2.6
191.14293	2.3
199.14798	4.3
201.16373	23.9
203.14307	11.2
215.18021	6.2
217.19487	2.3
241.19531	20.2
259.11319	2.1
259.20590	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03951	0.5
55.01870	0.8
55.05512	6.5
57.03447	1.3
57.07075	1.5
65.03946	0.7
67.05505	14.2
69.07070	5.7
69.89917	0.8
71.05001	1.3
71.08629	0.4
72.08161	0.4
77.03919	0.3
79.05008	0.3
79.05493	12.9
81.07058	14.2
83.04983	0.7
83.08617	2.4
85.06539	1.3
90.09190	0.4
91.05482	28.3
93.07045	13.2
95.04993	1.0
95.08607	10.3
97.06527	2.7
97.10179	1.0
98.21439	0.3
99.08105	1.3
103.05471	0.9
104.06190	0.2
105.04509	0.5
105.07032	41.4
107.04959	0.7
107.08593	7.1
109.06522	0.8
109.10149	3.8
111.08111	0.8
111.11726	0.3
113.09649	0.4
115.05456	0.7
115.69681	0.2
116.06263	0.4
117.07020	9.4
118.07796	0.4
119.08584	31.2
121.06503	0.5
121.10146	5.4
123.08064	0.5
123.11703	0.9
125.09667	0.4
128.06198	1.1
129.07002	5.1
130.07779	0.5
131.08569	12.8
132.09343	0.6
133.10132	26.6
135.08075	0.9
135.11697	3.4
137.09627	0.4
142.07779	0.7
143.08566	6.5
144.09320	0.5
145.10127	12.1
146.10854	0.5
147.08054	0.6
147.11690	21.0
149.09627	0.8
149.13278	2.4
151.11177	0.9
155.08565	0.2
156.09363	0.3
157.10133	5.2
159.11693	11.1
160.12460	0.2
161.02385	0.3
161.09619	0.7
161.13258	14.2
163.03903	0.7
163.11209	0.8
163.14842	0.5
165.12682	0.3
169.10152	0.4
170.10973	0.2
171.11691	6.9
172.12282	0.2
173.02409	0.4
173.13275	6.7
175.11198	0.6
175.13310	0.3
175.14824	6.0
177.12775	0.9
179.14305	0.2
183.11668	0.4
185.13264	6.8
187.14822	1.4
189.12715	0.8
189.16383	0.6
191.14284	0.2
197.13306	0.2
199.14813	3.8
201.16385	0.5
203.14265	0.7
212.15601	0.3
213.16403	1.5
215.07037	0.7
215.18018	1.2
217.15932	0.7
217.19505	0.3
231.17442	0.6
231.21065	2.6
241.19513	14.9
259.20569	100.0
260.20941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.4
53.03951	0.8
55.01876	1.0
55.05513	7.7
55.51517	0.2
57.03456	1.1
57.07069	1.7
57.08662	0.2
61.93382	0.2
65.03937	0.8
67.05506	15.6
69.03422	0.4
69.07067	5.8
69.31062	0.9
69.31506	1.1
70.08865	0.2
71.04999	1.0
71.08646	0.3
72.08170	0.4
73.90573	0.2
77.03934	0.3
79.05495	13.2
81.07059	14.1
83.04991	0.8
83.08621	2.4
85.06530	1.2
91.05482	31.0
93.07044	15.2
95.04976	1.4
95.08610	11.0
97.06526	4.4
97.10173	1.0
99.08109	1.1
103.05460	0.7
105.07033	43.7
107.04973	0.5
107.08598	8.0
109.06522	0.8
109.10164	3.7
109.86761	0.2
111.08090	0.7
113.09643	0.3
115.05473	1.0
117.07020	10.4
118.07788	0.3
119.08582	31.6
121.06487	0.5
121.10151	5.9
123.08108	0.3
123.11729	0.6
125.09616	0.7
128.06239	1.0
129.07005	5.0
130.07800	0.8
131.08568	12.7
132.09364	0.4
133.06500	0.4
133.10132	27.5
135.04465	0.3
135.08086	1.0
135.11699	4.1
137.09615	0.5
141.06953	0.6
142.07805	0.9
142.59334	0.2
143.08554	6.2
144.09358	0.4
145.10123	11.8
146.10930	0.5
147.08035	0.4
147.11688	20.3
148.44911	0.2
149.09622	1.3
149.13258	2.1
151.11150	0.6
151.77788	0.2
156.09378	0.4
157.10144	5.3
159.11691	11.0
160.12425	0.3
161.02361	0.5
161.09639	0.5
161.13261	13.1
163.03920	1.3
163.11189	0.7
163.14835	0.6
165.12740	0.5
170.10939	0.2
171.11691	6.4
173.02295	1.1
173.13274	6.2
175.11240	0.9
175.14822	4.9
177.12753	1.1
185.13264	7.2
187.14787	1.4
189.12836	0.9
189.16373	0.5
199.14848	3.9
200.04675	0.2
201.16422	0.5
203.14424	0.5
213.16331	1.5
215.07037	1.9
215.17957	1.1
217.15912	0.4
231.17416	0.7
231.21086	2.6
241.19511	12.8
259.09674	1.3
259.20572	100.0
260.20773	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.97221	0.9
53.03937	2.0
55.05272	0.9
55.05515	11.5
57.03425	1.4
57.07076	4.6
67.05508	14.2
69.07071	7.5
69.83994	0.8
71.04977	1.4
71.53810	0.8
71.54196	1.2
79.05501	13.8
81.03413	0.9
81.07061	12.7
83.04970	1.1
83.08625	4.8
91.05486	28.1
93.06495	1.0
93.07056	13.2
94.08203	0.8
95.04916	1.1
95.08599	10.2
97.06528	3.8
97.10160	2.0
99.08086	1.2
103.05490	1.4
105.03426	5.1
105.07036	60.6
107.04942	1.3
107.08598	8.2
109.10161	3.7
111.08080	1.6
115.05451	2.1
117.07024	31.3
117.07863	1.6
119.08584	38.9
121.10151	6.3
123.11723	1.4
128.06238	3.0
129.01825	1.2
129.07010	11.4
130.07791	1.5
131.08572	31.4
133.10138	30.0
135.08051	1.0
135.11731	3.8
142.07776	2.3
143.08574	16.9
145.10133	27.8
147.11694	24.9
149.09596	1.3
149.13240	2.7
157.10135	10.5
159.11699	40.7
161.13269	18.4
163.11223	1.0
171.11710	16.3
173.13268	26.5
175.14842	8.1
177.12886	1.1
184.12604	0.9
185.11638	1.3
185.13260	17.9
187.14761	1.6
189.12634	1.3
199.14853	12.6
213.16443	2.2
215.17982	1.2
231.21167	2.2
241.19528	28.9
259.11340	2.3
259.20587	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1607
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
50.61138	0.9
56.05043	4.7
69.07074	2.7
69.38062	0.8
69.76158	0.8
70.85730	1.6
71.08634	0.8
81.03383	1.0
83.06111	49.8
84.04510	70.7
84.08150	7.4
85.02903	2.0
86.09711	100.0
87.04450	0.8
97.02926	1.4
101.07158	8.2
129.06654	5.3
129.10226	1.3
130.04979	1.6
132.10216	30.2
141.06613	2.9
143.11856	2.8
147.07643	2.2
147.11220	1.3
152.10675	0.9
157.13361	13.4
171.11285	1.7
185.12836	6.3
189.12404	1.1
196.14464	8.0
197.12865	27.1
198.11292	1.0
225.12430	2.6
242.15015	70.0
243.13420	37.2
260.16110	5.4
260.19714	1.5
275.48108	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42929	2.5
69.84895	14.4
78.95628	3.3
79.99043	4.4
84.08120	3.1
86.50727	2.8
86.90924	3.4
98.20831	4.2
101.00877	10.6
112.87574	2.4
119.01920	13.8
129.10240	4.2
131.01825	2.8
145.03450	3.2
158.55754	2.9
158.94249	6.1
177.00945	10.3
188.95444	3.4
189.02568	3.1
196.94504	7.0
201.00949	3.2
214.95749	8.5
214.96446	8.4
215.21796	2.7
219.02011	12.6
221.01653	5.4
232.96667	4.5
237.97368	8.1
243.02036	12.5
255.98355	4.1
256.96747	2.8
260.91199	9.5
260.99030	3.9
261.00211	3.5
261.03082	100.0
279.98886	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42359	0.9
55.01867	2.3
55.05511	6.1
56.05027	1.3
56.96562	1.7
58.67012	0.8
59.04988	1.1
65.03935	3.7
67.05512	5.8
69.03410	2.5
69.07062	3.9
69.69639	5.0
70.03661	1.0
71.04988	5.0
72.98013	0.9
73.00259	1.0
79.05502	7.1
81.03401	1.0
81.07054	3.8
82.06568	1.3
83.04963	6.4
83.08625	0.9
84.04506	31.1
84.96024	1.0
85.02913	3.5
86.06042	1.3
86.09705	100.0
87.04462	2.4
88.03970	2.6
88.75892	0.8
91.05481	12.5
93.07040	2.7
95.04976	8.0
95.08599	1.0
97.02927	1.7
97.06512	3.2
98.20818	1.1
98.97560	2.2
98.98473	2.6
99.04446	3.8
101.06021	8.5
102.05531	5.2
105.03412	2.0
105.07043	8.5
107.04969	3.1
107.08544	1.6
108.76909	0.8
109.02907	1.4
109.06522	1.3
111.04445	6.1
113.05986	2.1
114.05558	1.1
115.03935	1.0
115.05467	1.4
116.98590	2.0
117.05456	1.0
117.07037	8.0
119.04946	1.7
119.08581	21.4
121.02854	1.4
123.04442	5.3
123.08121	0.9
128.06203	2.7
129.05479	3.9
129.06982	1.9
130.04979	4.6
131.08537	0.9
132.10204	31.7
133.06471	1.5
133.10130	8.2
135.11606	1.1
137.09654	1.2
142.04999	2.6
143.08545	8.5
145.06473	1.6
145.10179	2.1
147.08052	22.3
148.06017	8.8
149.02359	17.0
149.03474	3.0
151.11127	1.1
152.10736	1.1
158.06041	1.0
158.99615	0.9
161.09618	42.4
161.10960	2.0
163.07539	1.1
165.09125	10.6
166.17252	1.1
169.08636	1.4
171.08076	3.4
177.00812	1.1
179.10675	21.4
183.10104	1.2
189.09103	25.5
197.12869	2.7
198.11310	5.4
201.00719	1.2
207.10152	22.9
225.11191	18.0
243.08047	3.9
243.12093	7.0
244.11823	4.9
261.07840	1.4
261.08786	1.6
261.14844	15.9
261.22189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1448
Annotation	CHEBI:73506
Peak:m/z	Relative Intensity
51.32554	0.7
55.32400	0.7
56.05037	6.1
60.04557	0.8
62.78169	0.7
65.03947	1.4
67.48822	0.8
68.08192	0.7
70.92481	1.4
70.92820	1.7
71.04986	1.2
72.08159	0.8
81.07093	0.9
84.04510	100.0
84.08125	1.1
85.02905	3.1
86.09711	98.3
87.10033	1.0
89.34404	0.8
97.02903	1.6
98.98502	4.0
102.05548	14.9
121.02885	1.5
127.03918	0.9
129.06627	3.9
131.08192	1.5
132.10214	53.6
136.14931	0.7
139.03958	1.0
141.06602	4.0
143.25597	0.9
149.02359	9.5
149.03452	1.3
149.28381	0.8
164.97781	0.8
179.10721	1.0
197.12868	51.9
225.12349	6.1
243.13419	72.8
261.04105	1.8
261.14703	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	261.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01869	0.8
55.05511	5.7
56.96553	1.7
57.03445	1.1
57.07069	1.6
65.03935	2.7
67.05508	9.3
69.07067	6.6
69.49124	5.6
71.33982	0.6
74.62870	0.8
77.03945	0.8
79.05486	7.2
81.07061	22.8
83.04977	1.6
83.08609	3.2
91.05474	8.3
93.07055	10.6
95.04977	1.0
95.08613	35.5
97.06532	1.0
97.10176	2.9
97.99185	1.4
99.08117	0.7
105.07034	14.2
107.04964	1.1
107.08585	7.5
109.06536	3.4
109.10168	16.8
111.08012	0.8
117.06971	2.2
119.08588	10.2
121.06485	1.4
121.10153	6.9
123.08075	11.7
123.11713	20.1
131.08588	4.8
133.10124	8.4
135.04427	1.9
135.08028	2.3
135.11746	4.4
135.12563	0.9
137.09625	10.0
137.13271	1.9
143.08549	1.1
145.10127	7.7
147.11696	10.6
149.02350	7.7
149.03479	1.7
149.13248	4.7
151.11119	1.1
159.11687	7.6
161.13245	6.4
163.14905	3.4
165.12776	0.8
173.13287	6.8
175.14827	2.1
177.16397	1.2
179.14342	0.9
187.14827	6.8
201.16428	2.0
205.15887	1.5
215.17896	0.8
217.19559	0.8
231.20972	0.7
243.21083	23.3
261.14874	5.9
261.18637	10.4
261.22147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14492	0.3
51.02376	0.3
53.03944	1.3
55.01884	0.4
55.05514	8.2
56.46231	0.3
57.03445	0.9
57.07077	2.9
58.48140	0.3
65.03934	1.6
66.53352	0.3
67.05506	28.4
69.07068	8.7
69.47742	1.8
70.73567	0.3
71.04975	1.3
71.08632	1.3
77.03923	0.7
79.05495	36.5
81.07058	33.9
83.04993	0.8
83.08620	6.2
85.06555	3.3
85.10169	0.3
87.70687	0.3
91.04899	0.7
91.05483	18.6
93.07046	52.1
95.04974	2.4
95.08610	25.4
97.06543	2.6
97.10168	2.4
98.21484	0.5
99.08084	3.1
103.05438	0.4
105.04524	0.9
105.07030	12.8
107.08598	35.8
109.06539	1.2
109.10163	10.5
111.08092	2.4
113.09647	1.2
117.07016	4.6
119.06085	0.3
119.07708	0.4
119.07921	0.2
119.08582	11.3
121.10149	31.5
123.08078	0.9
123.11713	4.4
125.09615	0.8
127.11229	0.4
129.07063	0.3
131.08571	10.9
133.10136	10.7
135.08133	0.6
135.11697	24.2
137.09628	1.2
137.13281	1.1
139.11226	0.8
145.10130	11.3
145.11307	0.5
147.11690	8.1
149.02386	1.6
149.09633	0.7
149.13260	23.0
151.11179	1.2
151.14856	0.8
153.12801	0.7
157.14214	0.3
159.10527	0.3
159.11694	8.1
161.13263	9.6
163.11180	0.5
163.14828	16.6
165.12753	1.2
173.11757	0.5
173.13263	9.5
175.14801	3.6
177.12804	0.6
177.16397	5.8
179.14301	1.5
187.14833	5.6
189.16394	0.8
191.14212	0.3
191.17964	0.8
193.15779	0.4
201.16367	2.7
203.17944	0.4
205.15941	0.6
215.18013	1.6
216.44467	0.3
217.19479	0.5
219.17426	0.7
233.22673	0.8
243.21088	28.2
261.22141	100.0
262.22528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02383	0.3
52.07987	0.3
53.03945	1.5
55.01866	0.7
55.05513	9.3
57.03445	1.1
57.07081	3.1
65.03931	0.8
67.05507	27.6
69.07070	9.0
69.07364	0.2
69.82194	1.5
71.05004	1.8
71.08630	0.6
77.03941	0.4
78.05756	0.3
79.05497	41.7
80.48417	0.3
81.07059	33.3
83.04973	1.0
83.08622	5.1
85.06542	2.3
91.05486	19.8
93.07049	52.0
95.04983	2.1
95.08613	25.1
97.06533	2.5
97.10191	1.9
99.08095	3.0
105.04540	0.8
105.07037	13.7
107.08601	33.5
109.06544	1.0
109.10163	11.9
111.08096	2.7
111.11723	0.4
113.09655	1.1
117.07022	4.5
119.06109	0.3
119.08588	11.5
121.10149	30.2
123.08070	0.9
123.11712	3.1
125.09635	1.0
131.08571	10.3
133.10139	9.6
135.11699	25.4
137.09616	1.3
137.13252	1.4
139.11183	0.5
143.10292	0.3
145.10127	10.0
147.10522	0.5
147.11700	8.6
149.02357	0.3
149.13266	22.9
151.11157	0.7
151.14798	0.6
153.12787	0.6
159.11693	8.2
161.13261	9.6
163.11154	0.6
163.14830	15.0
165.12730	0.8
171.11694	0.4
173.13277	8.2
175.14841	3.3
177.12796	0.6
177.16402	4.4
179.14349	1.0
187.14838	5.5
189.16414	0.9
191.14330	0.9
193.15981	0.4
201.16393	2.2
205.15736	0.4
209.15984	0.3
211.63948	0.3
214.46588	0.3
215.17947	1.1
217.19585	0.5
219.17459	0.8
233.22620	1.0
243.21097	25.6
261.22147	100.0
262.22552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.7
53.03957	2.0
54.60884	0.4
55.05271	0.7
55.05514	8.9
57.03432	1.0
57.07076	3.3
65.03929	1.3
67.05507	30.6
69.07068	9.2
69.68145	2.6
71.04990	2.2
71.08634	1.1
77.03917	1.0
79.05496	39.8
81.07057	32.9
83.08633	4.6
85.06552	3.0
91.05485	19.1
91.72375	0.5
93.07048	56.3
95.04967	1.7
95.08611	25.6
97.06547	2.3
97.10182	1.6
98.20784	0.9
99.08086	3.3
105.04535	1.0
105.07037	12.9
107.08599	36.8
109.06511	1.2
109.09474	0.9
109.10163	10.4
111.08086	2.3
113.09622	1.3
115.05478	0.6
115.57282	0.4
117.07023	4.8
119.08588	11.9
121.10148	31.9
123.08047	1.2
123.11711	4.0
125.09640	1.2
125.12627	0.4
129.07138	0.4
131.08577	11.3
133.10138	10.7
135.11699	27.3
135.95390	0.4
137.09648	0.9
137.13237	1.2
139.11172	0.9
145.10132	9.4
147.11678	7.9
149.09604	0.5
149.13268	21.5
151.11240	1.0
156.00252	0.5
159.10464	0.8
159.11705	9.2
161.13268	9.7
163.11115	0.8
163.14828	17.1
165.12744	1.2
173.13266	8.6
175.14861	3.5
177.12764	0.6
177.16382	5.9
179.14296	1.0
187.14836	5.6
189.16441	0.5
191.14299	0.6
201.16364	2.8
203.17979	0.6
205.15915	0.7
215.17917	1.8
217.19398	0.7
219.17442	0.6
225.56148	0.4
233.22661	0.8
243.21094	26.2
246.92186	0.5
261.22144	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.04365	0.5
53.03936	1.9
55.05515	9.3
57.03431	1.0
57.07082	2.8
65.03933	0.8
67.05509	26.6
69.07078	9.1
69.90403	0.9
69.90802	1.3
71.04980	1.6
71.08625	1.1
73.64373	0.5
77.03884	0.5
79.05499	36.1
79.74271	0.5
81.03470	0.6
81.07063	33.8
83.08220	0.6
83.08631	5.5
85.06549	2.4
91.05483	18.1
93.07050	48.9
95.04964	2.0
95.08614	27.0
97.06522	2.8
97.10155	2.0
99.08096	2.5
101.74771	0.5
105.04520	1.2
105.07037	12.8
107.08604	30.9
109.06522	0.9
109.10155	11.2
111.08089	2.3
111.11713	0.8
113.09651	1.1
115.20602	0.5
117.07025	4.0
119.08590	11.4
121.10151	32.0
123.08067	2.3
123.11710	4.6
125.09641	1.1
131.08572	11.0
133.10141	9.9
135.11697	25.8
137.09616	1.5
137.13242	1.4
143.64502	0.5
145.09045	1.0
145.10121	10.2
147.11693	9.5
149.09738	0.5
149.13271	20.5
151.11134	1.0
153.12773	0.7
159.11699	8.6
161.13271	9.5
163.14833	15.6
165.12753	0.8
171.11670	0.6
173.13275	9.0
175.14821	3.5
177.16422	4.0
179.14288	1.1
181.47333	0.5
187.14827	6.4
201.16367	2.4
203.17963	0.8
215.17996	1.3
218.88933	0.6
233.22627	0.6
243.21106	26.8
261.22147	100.0
262.22903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02379	0.5
53.03943	1.4
55.01869	0.8
55.05514	9.1
57.03433	0.9
57.07076	3.0
65.03946	1.5
67.05508	32.9
67.42810	0.3
69.07069	9.9
69.79512	0.4
69.79829	1.9
71.04996	1.7
71.08641	1.1
77.03917	0.7
79.05497	41.2
81.03414	0.4
81.07060	37.8
83.04982	0.6
83.08625	5.2
85.06551	2.6
91.05485	21.1
93.07047	56.6
95.04984	2.3
95.08611	28.4
97.06546	2.7
97.10151	2.1
97.87926	0.4
99.08114	3.1
101.43332	0.3
105.04520	1.0
105.07035	15.4
107.04955	0.4
107.08600	35.6
109.06539	1.6
109.10158	11.8
111.08084	2.8
111.11735	0.4
111.81602	0.4
113.09638	1.2
117.07032	4.4
119.06069	0.3
119.07717	0.4
119.07934	0.2
119.08582	11.6
121.10151	34.8
123.08086	1.4
123.11690	3.7
125.09640	1.0
127.11231	0.4
129.06985	0.6
130.07838	0.4
131.08574	11.4
133.09140	0.6
133.10139	11.2
135.08084	0.7
135.11699	28.7
137.09619	1.6
137.13261	1.0
139.11174	0.7
145.10133	11.9
147.10516	0.5
147.11694	9.3
149.02351	1.3
149.03409	0.4
149.13266	22.2
151.11208	0.5
151.14825	0.7
153.12802	0.7
157.10222	0.4
159.11693	9.5
161.11987	0.7
161.13268	9.5
163.11163	0.7
163.14828	18.7
165.12743	1.3
173.13268	9.0
175.14836	3.7
177.16382	4.8
179.14250	1.6
181.12340	0.3
187.14822	5.7
189.16444	0.7
191.14323	0.8
191.17871	0.4
201.16422	2.3
203.17888	0.5
205.15965	0.6
215.17978	1.3
217.19627	0.7
219.17450	0.8
233.22563	1.4
243.21092	27.9
261.22144	100.0
262.22424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01863	0.8
55.05268	0.8
55.05512	10.5
57.03439	0.8
57.07073	3.8
60.82160	0.5
65.03938	2.0
67.05507	34.1
67.63226	0.4
69.03465	0.6
69.07067	11.0
69.49929	1.0
69.50344	2.4
71.04984	2.1
71.08632	1.2
77.03902	0.7
79.05495	46.2
81.07060	39.5
81.07466	0.6
83.04980	0.7
83.08619	5.8
85.06551	3.0
85.10183	0.8
88.13980	0.5
90.02937	0.5
91.05481	24.2
93.07046	65.5
95.04966	2.7
95.08608	31.4
97.06536	3.1
97.10172	2.1
98.20699	0.6
99.08106	2.7
103.05456	0.4
105.04502	1.3
105.07036	15.2
106.42589	0.4
107.08598	40.6
109.06526	1.4
109.10159	13.7
111.08054	2.8
113.09647	1.3
117.07014	5.5
119.06091	0.6
119.08585	13.4
121.10146	37.5
123.08066	1.4
123.11689	4.5
125.09639	1.3
131.08565	12.4
133.09123	0.6
133.10136	11.4
135.08081	0.5
135.11691	27.7
137.01047	0.4
137.09599	1.3
137.13261	1.3
139.11142	1.1
144.09268	0.4
145.09061	0.9
145.10129	12.6
147.11696	10.3
149.02350	1.9
149.09659	0.8
149.13263	22.3
151.11206	1.0
151.14798	0.7
153.12764	0.9
159.11685	10.3
161.13257	11.0
163.11147	0.5
163.14824	16.0
165.12715	1.1
173.13289	8.8
175.14832	3.7
177.16403	5.9
179.14307	1.4
187.14807	6.4
189.16357	0.7
191.14345	0.5
201.16412	2.4
205.15852	0.7
215.17886	1.4
217.19508	0.6
219.17480	1.4
233.22681	1.5
243.21091	26.9
261.22141	100.0
263.13428	0.5
268.51221	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.05498	0.4
56.96563	0.5
57.07083	4.0
58.06597	0.7
67.05498	0.4
68.05029	0.7
69.07068	0.4
70.06597	9.6
71.08640	3.2
71.52794	0.5
72.80250	0.4
79.05493	0.8
79.27657	0.5
79.64186	0.4
81.07037	0.8
84.08150	1.3
84.35488	0.4
87.04472	27.0
88.07640	10.4
92.33006	0.4
93.07050	0.8
95.08581	0.7
97.06517	0.5
98.97562	0.5
102.09190	0.8
105.07034	0.6
106.08670	1.7
107.08619	1.2
114.09192	4.7
118.05724	0.6
118.06554	8.6
118.08667	1.8
119.08568	0.7
120.08077	0.5
121.10149	0.6
132.08104	3.6
132.10216	16.5
133.08855	1.5
134.09665	0.9
135.11681	0.6
146.09631	3.6
147.10428	0.5
150.02696	0.5
150.11272	15.9
163.11215	0.7
166.62648	0.4
168.21007	0.4
169.08588	1.0
176.14360	63.8
178.22887	0.5
186.18520	1.7
193.01782	0.7
200.20168	1.4
211.02820	0.7
218.11893	0.5
218.21179	4.9
227.12796	0.9
245.13849	1.5
261.63528	2.0
262.18039	100.0
262.23792	86.2
282.15094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
69.69453	82.1
84.38181	12.5
96.01845	12.1
98.21503	22.8
108.69701	12.3
263.01688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40369	6.9
70.77377	13.0
79.06660	7.5
86.23851	5.8
114.86177	7.3
119.01862	8.6
143.01906	22.6
161.02965	25.6
173.03029	7.8
175.99348	6.9
204.84178	7.6
210.56133	8.2
248.23500	7.1
263.01688	100.0
263.05136	14.4
273.58987	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	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09354	0.6
57.98495	0.7
61.54000	0.7
70.95408	1.1
73.02895	0.8
82.99837	6.3
85.02904	1.3
94.99808	1.0
97.02896	1.5
101.00888	35.1
112.48076	0.7
113.00880	10.7
119.01929	28.0
127.02435	0.8
131.01912	18.3
133.74298	0.7
137.02953	1.7
138.55293	0.7
143.01909	79.4
145.03426	1.7
149.02974	1.4
155.01903	17.9
157.03497	2.4
161.02969	100.0
162.61748	0.7
167.01904	2.0
173.02969	37.1
179.03999	1.0
184.04558	0.9
185.02977	6.8
191.04025	18.7
197.03012	1.7
203.04033	33.5
221.05119	4.2
233.05038	2.0
239.06068	1.6
240.06152	0.9
245.05122	1.8
245.14948	0.8
263.06152	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	263.0913
Annotation	Terrestrol E
Peak:m/z	Relative Intensity
55.01864	6.6
55.05506	3.5
56.05035	5.8
56.96551	6.6
61.01149	4.2
67.01862	3.7
67.05501	5.7
69.03429	4.9
69.07042	7.7
70.06586	12.4
76.03970	3.0
79.05476	9.6
81.03404	9.2
84.08192	3.0
85.02909	36.2
86.09215	5.3
86.09705	56.3
91.05475	13.1
93.06564	2.9
95.04958	5.9
95.08593	3.6
97.02888	13.3
98.97560	8.4
103.05452	7.3
104.05296	6.3
105.07015	12.1
107.04915	9.7
109.02843	4.8
111.04440	21.0
114.93297	3.4
115.02132	3.1
115.05459	6.9
116.98611	3.1
117.07022	6.8
119.01926	4.2
119.04949	9.7
119.08563	7.7
119.61980	3.0
123.04440	45.0
123.08088	3.0
127.03902	3.8
128.06221	23.5
129.07013	33.1
131.04916	8.1
132.05614	3.1
133.06500	5.0
135.04402	11.0
136.05180	5.0
137.05980	68.4
142.08618	3.5
143.01878	3.7
143.08565	16.6
145.06468	9.3
147.04434	29.0
147.08038	7.2
149.05974	21.6
150.05826	7.7
152.06229	5.5
153.06999	20.2
153.56703	3.0
157.06520	36.5
160.05173	11.5
161.02872	9.3
161.05983	18.6
161.13287	3.2
163.03896	12.7
165.05510	14.4
171.08049	13.3
173.02917	4.4
173.05972	17.0
173.34628	2.8
174.06689	7.5
175.07538	54.9
177.05423	8.9
181.06502	16.6
184.05061	4.0
185.06033	6.5
187.07491	3.2
189.05374	4.0
189.09079	7.8
199.07547	49.2
200.08119	3.1
201.05443	3.5
202.06195	3.8
203.06982	16.1
205.08572	7.3
209.06029	5.5
217.08498	18.2
227.07030	29.8
232.07784	5.4
245.04216	3.8
245.08086	98.7
263.06366	3.4
263.09293	100.0
263.14276	11.7
263.23666	4.4
264.78564	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	263.0916
Annotation	Terrestrol E
Peak:m/z	Relative Intensity
55.01879	6.1
55.05508	1.5
56.05027	2.5
67.01857	1.1
67.05511	2.2
68.99787	1.3
69.03421	2.5
70.06593	4.5
70.86103	2.4
71.01346	2.0
72.02189	1.0
79.05466	5.0
81.03412	7.9
81.07053	3.4
85.02910	34.7
86.09681	1.0
88.02216	1.3
91.05483	7.8
93.07015	2.2
95.04955	2.7
95.08598	1.1
97.02890	11.0
98.20776	1.2
98.97602	2.2
99.04445	2.0
103.05480	7.7
104.05299	2.5
105.07027	7.1
107.04948	5.8
107.08574	1.2
109.02883	2.7
109.05260	1.0
111.04449	17.3
111.39415	1.0
115.05452	6.1
116.07093	12.6
117.07000	3.3
119.04946	5.6
119.08565	3.6
120.07264	1.3
120.08112	17.2
121.06537	1.7
121.10117	1.2
123.04437	48.1
124.91497	1.0
127.03944	1.5
128.06238	19.7
129.07014	27.6
131.04927	11.6
131.08591	3.3
133.06487	2.2
135.04396	7.3
136.05237	5.5
137.02364	2.0
137.05984	63.6
139.05486	1.5
141.06976	3.9
143.04927	1.4
143.08546	10.4
145.06528	8.1
147.04422	28.2
147.08061	5.1
148.05046	1.5
149.05981	9.6
151.07523	1.8
152.06229	5.5
153.06998	19.4
155.04860	1.2
155.06015	3.5
156.05733	2.0
157.06500	29.1
157.07770	2.0
159.04514	2.7
159.08131	2.6
160.05197	9.1
161.05983	11.9
163.03917	13.3
163.07503	1.2
164.04614	1.1
165.05513	13.2
169.06485	3.1
170.07277	1.5
171.08067	15.3
173.05994	12.2
174.06793	12.3
175.07559	56.7
176.04663	1.3
177.05492	12.5
177.09012	1.8
177.26814	1.1
179.07008	1.3
181.05032	2.2
181.06490	17.5
184.05200	4.0
185.06036	7.8
187.03801	2.1
187.07552	3.4
189.05540	3.3
189.09103	7.2
191.07034	3.8
197.06126	1.5
199.07561	40.7
201.05466	3.5
202.06203	3.5
203.07011	14.9
205.08577	7.2
209.06000	3.6
215.07062	3.0
217.08629	22.3
219.06392	1.8
227.07053	29.1
233.08057	2.4
245.08118	100.0
263.09164	59.2
263.13879	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	263.1491
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
55.01875	8.2
55.05512	5.7
55.17136	2.7
57.03434	3.0
61.81921	2.6
67.05509	20.5
67.38786	3.3
69.03442	18.9
69.07073	11.3
69.83321	9.1
69.83735	5.0
71.04992	6.7
79.05497	18.8
81.07072	28.9
83.04958	5.1
85.06533	6.9
91.05480	9.8
93.07050	59.9
95.04982	11.0
95.08609	12.0
97.06533	9.3
98.20816	3.6
99.04485	14.5
101.06002	5.1
105.07035	21.0
107.04942	3.2
107.08600	75.8
109.06525	12.5
109.10225	4.1
110.92618	2.7
111.04436	4.0
111.08081	6.8
113.06005	6.4
117.07001	5.5
119.08569	17.7
121.06508	15.6
121.10149	77.6
123.08038	6.4
123.11700	4.7
124.86680	3.0
125.09687	4.0
129.05511	3.9
131.08539	4.7
133.06573	3.4
133.10130	3.1
135.08067	17.5
135.11708	24.8
137.06013	3.4
139.07541	10.2
139.11119	4.4
139.86287	2.7
145.10132	24.7
147.11681	5.5
148.45581	2.8
149.09628	14.1
151.07578	6.8
153.09091	22.1
153.12827	3.6
163.11195	89.9
163.12558	4.7
167.10699	18.0
169.08624	28.8
171.10190	10.8
173.09709	3.6
175.07536	4.5
181.12236	100.0
183.10176	6.8
185.11766	12.7
189.12927	4.4
191.10674	33.6
209.11761	36.9
227.10600	4.0
227.12784	76.1
245.11662	6.1
263.09079	3.4
263.12753	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.21131	0.7
53.03933	1.2
55.01867	1.0
55.05511	14.3
57.03429	2.2
57.07075	10.8
59.56527	0.7
65.03935	1.8
66.98050	0.6
67.05505	90.1
69.07069	16.2
71.04992	1.6
71.08633	6.7
79.05497	21.6
80.39742	0.7
81.07056	100.0
83.04967	1.5
83.08615	14.0
85.06530	4.1
85.10184	2.9
91.05479	16.0
93.07049	25.5
93.07639	1.5
95.04967	2.3
95.08607	90.4
97.06525	7.9
97.10168	8.5
98.20756	2.7
99.08102	5.8
105.07027	9.7
107.08589	13.2
109.06558	1.1
109.10159	47.1
111.08093	4.6
111.11725	1.3
113.09637	4.0
119.08585	12.0
121.10144	17.4
123.08070	2.4
123.11702	19.1
125.09583	1.7
127.11185	1.9
131.08553	0.9
133.10138	16.8
135.11696	11.4
137.09604	2.9
137.13257	8.9
139.11169	0.9
141.12769	1.9
147.11691	11.3
149.13275	9.1
151.11203	0.9
151.14816	8.9
155.14299	2.0
161.13274	13.1
163.14799	9.0
164.75395	0.7
165.12752	0.9
165.16388	8.6
167.14301	1.2
175.14839	7.9
177.16380	2.1
179.17937	4.8
181.15900	1.4
189.16374	4.2
203.17891	2.0
207.17540	1.0
217.19501	1.9
229.87260	1.0
231.56093	0.6
245.22652	38.3
247.11557	1.2
248.12419	0.8
263.14688	8.4
263.23700	96.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2373
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.98302	0.8
55.01868	0.8
55.05275	1.1
55.05517	15.7
57.07081	12.1
60.80505	0.8
65.03933	2.4
67.05510	83.7
69.03428	1.0
69.06729	1.4
69.07072	17.8
70.96750	1.7
71.04959	1.8
71.08636	5.5
79.05502	24.6
81.07065	95.3
83.04977	1.9
83.08629	15.7
85.06544	3.2
85.10175	3.2
91.05489	18.9
93.06487	1.7
93.07053	25.3
95.04975	2.7
95.08617	88.2
97.06548	11.3
97.10181	7.5
99.08117	5.4
105.07037	13.1
107.08607	15.3
109.06490	1.8
109.10163	41.7
111.08099	7.4
113.09649	1.8
119.08588	13.5
121.10155	16.3
123.08111	4.1
123.11723	19.4
125.09635	1.7
127.11224	1.4
133.10147	16.3
135.11716	11.2
137.09604	4.8
137.13277	8.4
139.11148	1.3
141.12752	2.3
147.11699	8.4
149.13292	8.1
151.11197	1.8
151.14833	7.9
155.14288	2.0
161.13269	12.1
163.14867	6.2
165.16435	9.3
167.49562	0.8
175.14854	8.6
177.16403	2.2
179.17970	4.0
181.15851	1.4
189.16492	4.0
193.15900	0.9
203.18050	1.3
207.17349	0.9
221.19058	1.1
245.22684	37.5
263.23724	100.0
264.23862	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03944	1.7
55.01874	0.8
55.05514	14.5
57.03432	1.6
57.07077	11.5
59.32767	0.5
65.03937	2.6
67.05507	83.6
69.07073	15.8
69.24276	4.7
71.04984	1.6
71.08634	5.5
79.05495	18.7
81.07059	100.0
83.04993	1.7
83.08619	13.9
85.06536	4.7
85.10191	4.5
91.05480	15.4
93.07048	25.5
93.07645	1.4
95.04983	1.4
95.08611	90.2
97.06537	8.1
97.10181	7.5
98.84613	0.6
99.08090	6.0
105.07035	11.0
107.08601	14.7
109.06522	1.2
109.10161	42.4
111.08082	4.0
111.11760	0.7
111.82736	0.6
113.09643	2.8
119.08584	11.7
121.10146	16.3
123.08060	2.5
123.11718	20.8
125.09637	1.0
127.11171	1.8
131.08534	0.8
133.10141	14.0
135.11699	12.3
137.09579	3.1
137.13261	8.0
139.11194	0.9
141.12772	2.9
143.85242	0.7
147.11684	9.7
149.13251	8.3
151.11147	1.1
151.14827	8.6
153.12737	0.8
155.14317	1.9
161.13271	11.5
163.14836	10.0
165.12810	0.8
165.16386	10.9
167.14352	0.8
175.14816	7.3
177.16397	1.8
179.17981	5.3
189.16347	3.6
192.37311	0.6
193.15857	0.8
203.17952	1.1
207.17445	1.0
217.19489	1.6
245.22661	36.0
245.30652	0.7
246.72157	0.6
263.23709	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.05269	1.2
55.05510	13.5
57.03436	1.5
57.07080	10.7
65.03934	3.2
67.05510	85.3
69.07073	19.5
69.81531	5.5
71.04993	1.2
71.08633	6.3
78.55068	1.0
79.05499	21.7
81.07062	100.0
83.04974	1.8
83.08220	1.2
83.08627	13.4
85.06521	1.9
85.10228	2.4
91.05486	18.8
93.07049	24.9
95.04980	1.7
95.08613	79.4
97.06541	8.5
97.10180	8.1
98.20724	1.2
98.60159	0.9
99.08102	3.8
105.07032	13.6
107.08591	14.5
109.06532	10.5
109.10162	43.9
111.08083	4.5
111.11684	1.1
113.09634	3.7
119.08592	12.1
121.10159	18.2
123.08090	4.8
123.11715	17.8
125.09646	1.5
127.11204	1.7
133.10130	15.9
135.11710	8.8
137.06032	1.0
137.09590	1.7
137.13251	9.0
141.12759	1.4
147.11700	11.0
149.13260	7.5
151.07521	4.3
151.11211	1.6
151.14854	6.8
155.14322	2.6
160.08339	0.9
161.13287	10.0
163.14825	8.2
165.12831	1.5
165.16402	9.1
167.14487	1.0
175.14854	6.5
177.16458	2.2
179.18001	4.8
181.15961	1.3
187.10400	1.0
189.16435	2.8
217.19510	1.1
221.19118	1.2
244.90103	1.1
245.22678	38.2
263.20099	38.5
263.23712	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
51.17633	0.7
53.03934	1.4
55.05274	1.2
55.05513	18.3
57.03421	2.2
57.06799	0.9
57.07076	15.1
59.09262	0.7
65.03925	2.8
67.05505	90.5
69.06732	1.2
69.07070	16.8
69.62128	3.6
69.62526	1.1
71.04987	2.2
71.08634	8.0
79.05493	20.7
81.07056	100.0
83.04987	1.2
83.08623	13.3
85.06538	4.3
85.10165	2.5
87.00725	0.9
91.05479	18.4
93.07045	24.4
95.04982	1.5
95.08608	87.8
97.06522	7.4
97.10165	7.5
99.08090	4.6
105.07038	11.0
107.08600	16.4
109.06533	1.2
109.10157	42.3
111.08096	5.0
111.11699	1.3
113.09632	2.9
119.08576	12.7
121.10140	18.8
123.08077	1.4
123.11690	19.6
123.25974	0.8
124.94730	0.8
125.09615	1.0
125.76376	0.7
127.11195	2.1
131.08682	1.1
133.10129	16.6
135.11703	11.7
137.09612	2.7
137.13257	9.2
141.12738	1.8
143.08485	0.8
147.11699	9.7
149.13268	9.3
151.11212	1.1
151.14836	7.6
155.14301	2.4
161.13268	12.2
162.86580	0.8
163.14822	8.8
165.16386	9.8
175.14839	8.5
177.16417	1.8
179.17921	4.4
181.15866	1.8
189.16393	4.2
199.06506	1.2
207.17528	0.9
217.07716	0.8
217.19470	2.0
221.13274	1.0
233.13249	1.1
245.22652	39.6
263.17862	3.3
263.23703	89.2
284.29135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01865	2.5
55.05511	1.1
57.03439	0.8
67.05504	2.7
69.03426	1.5
69.07074	9.2
69.40190	4.0
79.05501	12.8
81.03423	0.8
81.07075	1.9
91.05488	12.5
93.07081	1.0
95.04990	1.1
97.06538	100.0
98.97594	1.3
105.04496	0.7
105.07076	1.0
106.09164	0.5
107.04963	1.2
107.08611	0.5
108.75063	0.5
109.06545	1.2
111.08092	0.7
113.60284	0.5
117.06992	0.6
119.04946	9.2
119.08591	0.8
121.06522	0.8
121.10177	0.6
123.04488	0.8
131.05040	0.6
131.08578	0.5
133.06525	1.8
135.04427	2.3
135.08047	1.0
137.05989	70.2
138.60388	0.6
144.90793	0.5
145.06464	0.7
147.04427	6.4
147.07996	1.0
149.05994	1.7
159.08061	0.8
161.06009	0.6
161.09621	1.9
163.07561	0.5
173.05948	0.6
177.09175	1.7
180.24396	0.5
187.11121	0.6
189.09129	12.1
197.02197	0.6
206.11981	0.9
211.13377	2.7
215.10675	5.6
232.13219	0.8
233.11734	49.2
235.13275	0.5
241.07515	0.6
246.11369	0.8
247.13286	10.6
264.15967	67.6
265.16400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
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
53.03939	5.6
54.65091	3.2
55.01871	5.0
55.05508	12.1
65.03935	10.1
67.05506	30.3
69.03436	45.8
69.07059	5.1
69.79067	17.8
71.04980	10.5
79.05485	22.4
81.07053	23.4
83.04979	9.3
91.05469	53.6
93.03403	5.4
93.07048	50.8
95.04969	49.5
95.08607	25.0
97.02871	5.2
97.06516	10.4
99.04422	6.4
103.05470	5.3
105.07030	93.5
107.04962	5.0
107.08591	25.9
109.06516	44.6
109.10152	6.3
111.04441	38.1
111.08065	13.4
113.05988	19.6
115.05489	8.1
116.06258	8.5
117.07018	21.8
119.08588	100.0
121.02863	13.4
121.06501	54.0
121.10145	15.0
122.07153	5.3
123.04450	3.8
123.08047	25.2
128.06212	8.5
129.07022	21.7
130.07770	4.8
131.08574	52.6
133.06477	12.8
133.10130	20.5
135.08057	80.2
135.09024	6.6
137.09613	17.8
139.03908	9.6
139.07559	11.7
141.07008	8.3
142.07796	13.0
143.08611	19.5
144.05722	7.2
144.09341	10.7
145.06526	12.3
145.10109	41.0
146.07274	6.9
147.08052	50.0
147.11687	25.8
149.05917	4.8
149.09637	15.7
151.07567	6.5
153.06926	4.2
155.08572	6.9
156.09320	10.4
157.06461	3.7
157.10147	22.8
158.07291	21.2
158.10898	5.6
159.08060	47.2
159.11685	49.9
160.08797	4.8
161.06027	6.3
161.09604	41.7
163.07526	4.1
165.09131	39.7
168.09332	9.7
169.10146	8.6
171.08064	6.8
171.11673	10.8
172.08820	33.5
173.09604	25.9
173.13268	19.4
175.07552	80.5
175.11185	44.4
181.06430	4.0
181.09995	4.2
183.11739	10.3
185.09590	9.1
186.10350	5.0
187.11200	48.8
189.09155	10.7
189.12743	14.5
191.07080	3.7
193.08594	26.5
193.10155	5.0
196.08850	7.7
199.11205	15.5
201.12740	44.3
203.10657	66.4
205.12285	8.8
207.10136	3.5
211.11232	29.4
213.28891	4.2
217.12263	33.6
219.13768	14.7
221.11859	3.9
229.12300	31.1
235.13293	11.4
242.09679	4.0
247.13324	68.7
265.11676	6.7
265.14349	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	ABSCISIC ACID
Peak:m/z	Relative Intensity
53.03946	4.9
55.05502	10.0
57.07068	6.5
59.04982	4.1
63.18700	2.6
67.05491	9.7
69.03436	15.5
69.07072	3.5
69.45447	17.6
79.05479	13.2
81.07047	9.1
83.04981	40.8
85.02886	3.5
85.06545	5.3
87.04466	8.3
91.05471	22.0
93.03429	3.5
93.07043	20.5
95.04983	14.5
97.02876	8.0
97.06536	3.9
98.20837	6.6
105.07024	19.0
107.04942	3.0
107.08592	34.5
109.02885	18.0
109.06516	16.5
109.10154	7.2
111.04454	24.7
111.08070	9.2
113.06007	10.1
117.07009	16.9
119.08591	25.1
121.06509	32.3
121.10083	6.9
122.07150	17.9
123.08057	8.7
125.06034	3.3
125.09643	3.5
129.07011	4.7
131.08566	18.8
133.10101	9.7
135.08063	71.8
135.11705	5.9
137.05975	7.4
137.09624	7.7
143.08546	10.1
144.04825	8.0
144.09311	4.4
145.06480	12.3
145.10153	13.2
147.08012	7.1
149.05978	8.9
149.09654	15.0
151.07529	5.8
153.09132	8.7
155.08527	3.7
156.11726	2.7
157.10085	3.3
158.10893	7.6
159.08076	9.9
159.11717	18.2
160.08739	4.6
161.09608	8.1
163.06296	4.8
163.07550	48.7
163.11201	11.5
163.84476	3.4
165.09215	7.6
170.10884	4.2
172.08821	9.0
173.05942	4.3
173.09656	12.9
173.13258	25.4
175.11252	4.4
177.12773	6.1
178.40543	2.9
183.11699	9.6
185.09737	3.0
185.13330	4.0
186.10368	10.1
187.11179	75.3
189.09183	3.8
191.07065	18.6
196.08678	4.3
201.12755	51.1
205.12305	23.2
209.08121	10.5
211.11121	9.1
219.13794	22.3
229.12256	68.1
233.23302	2.8
247.13286	100.0
265.14307	18.1
267.66733	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	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
51.64893	2.9
53.03937	10.0
55.01859	5.1
55.05500	11.0
57.07066	6.7
59.05006	4.5
65.03926	4.5
67.05508	17.0
69.03438	21.6
69.07059	10.9
71.22298	5.5
72.85022	3.3
79.05495	18.9
81.03419	5.3
81.07057	18.9
83.04981	63.1
83.08621	3.5
91.05486	26.5
93.07056	33.2
95.04953	10.7
95.08619	15.6
97.02911	5.4
97.06518	13.5
98.97503	3.2
105.07035	30.4
107.08601	40.4
108.40164	3.9
109.02872	12.5
109.06525	28.5
109.10149	13.0
111.04463	17.2
111.08071	11.5
113.06024	4.4
115.05437	7.7
115.95019	3.3
117.07059	16.3
119.08587	30.7
121.02875	9.3
121.06509	47.3
121.10153	9.5
122.07153	33.6
123.04447	5.3
123.08064	14.2
125.06022	7.7
125.09695	4.0
129.06996	7.9
130.07718	3.4
131.04904	3.4
131.08601	18.3
133.06439	4.8
133.10133	9.0
135.04402	3.9
135.08064	82.1
135.11667	5.6
137.05936	4.5
137.09622	7.8
140.01369	2.8
143.08553	8.5
144.04799	10.2
144.09338	7.0
145.06467	20.3
145.10175	16.4
147.08054	10.4
149.05975	6.8
149.09650	19.4
149.13123	3.9
151.07523	7.6
153.09120	11.7
157.10233	3.8
158.10880	7.9
159.08087	8.7
159.11703	26.7
160.08876	6.0
161.09595	9.1
163.07547	52.2
163.11195	11.2
165.09103	5.9
170.10976	6.7
172.08836	9.9
173.05995	7.3
173.09654	16.8
173.13272	26.1
175.07512	3.4
177.12770	5.7
181.08591	5.0
181.10080	3.5
183.11737	6.1
185.13278	6.1
186.10391	14.3
187.11211	53.9
189.09065	3.8
191.07018	23.6
196.08806	4.5
201.12766	47.1
201.16267	3.2
203.14261	4.8
205.08670	6.8
205.12270	23.0
209.08054	9.5
211.11121	5.4
219.13820	23.3
221.08144	4.9
229.12280	59.2
247.13316	100.0
247.17090	4.7
265.04916	4.3
265.10492	3.0
265.11649	3.7
265.14331	40.4
265.19479	10.6
265.24963	5.1
283.06256	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	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
53.03936	4.9
53.89715	2.8
55.05510	15.7
56.96544	5.9
57.03433	4.0
65.03928	8.5
67.05504	28.6
69.03433	34.0
69.07057	8.6
70.06577	3.6
70.68924	5.6
70.69264	7.1
71.04992	7.8
72.08157	57.5
73.02872	3.4
76.93346	2.8
79.05489	21.8
81.03410	4.5
81.04532	6.4
81.07064	20.6
83.04988	12.0
84.04496	3.9
85.02896	11.9
85.06536	4.6
91.05479	45.6
93.03389	8.7
93.07045	32.3
95.04972	33.3
95.08600	24.0
97.02920	3.5
97.06532	7.5
98.97586	21.6
99.04448	7.1
103.05456	11.0
105.03394	10.3
105.07035	63.9
107.04956	4.0
107.08614	23.5
109.02887	4.2
109.06532	27.4
109.10139	10.2
111.04455	24.7
111.08064	7.8
113.06017	17.0
115.05463	8.9
116.98613	5.2
117.07030	20.0
119.04937	3.6
119.08592	82.6
120.08105	100.0
121.02904	11.1
121.06506	43.4
121.10156	13.8
122.07158	89.3
123.04478	3.7
123.08098	21.6
125.05996	4.9
126.24926	2.8
128.06212	5.3
129.07021	15.3
130.07747	5.0
131.08580	38.8
133.06520	8.4
133.10143	16.6
135.08064	59.6
135.11649	3.5
137.05905	4.6
137.09624	11.2
139.03909	8.5
139.07549	8.7
141.07002	8.3
142.07843	6.7
143.08601	14.3
144.04767	14.8
144.05779	4.5
144.09364	8.6
145.06480	14.5
145.10176	22.0
147.08051	32.1
147.11699	18.8
149.05919	6.0
149.09612	12.6
152.05666	10.8
153.09026	5.0
155.08589	8.0
156.09381	6.2
157.10172	16.3
158.07278	15.8
158.99654	4.6
159.08064	34.5
159.11702	41.7
160.08856	6.0
161.05934	3.4
161.09622	37.8
161.13260	5.9
162.09138	8.6
165.09138	29.0
167.10687	3.9
168.09366	9.0
169.10136	4.9
171.08011	7.8
171.11667	7.3
172.08855	21.5
173.01241	6.2
173.05980	6.6
173.08339	3.6
173.09555	17.0
173.13255	19.7
175.07564	62.9
175.11171	30.6
177.00734	4.8
177.12787	3.1
178.07986	3.9
183.11681	8.8
185.09598	5.5
186.10342	5.7
187.11223	34.2
189.09157	10.4
189.12799	12.1
191.02127	3.7
193.08578	16.2
193.10197	4.1
196.08910	5.4
199.11206	12.3
201.12744	29.1
202.98640	3.4
203.07147	4.4
203.10683	44.0
205.08566	6.0
205.12241	6.1
207.10338	3.6
211.11244	16.5
217.12311	21.8
219.13815	12.3
229.12244	27.9
234.77405	3.3
235.13336	6.8
247.13300	58.5
265.08539	10.9
265.14386	51.4
266.12476	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	265.1435
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
51.06269	2.2
53.03944	4.6
55.05499	11.6
56.96559	6.3
57.03430	3.9
57.07061	3.2
59.67006	2.3
65.03928	6.6
67.05507	21.5
67.15292	2.3
69.03433	22.0
69.07069	7.6
70.03188	2.2
70.06574	3.8
71.04989	8.3
72.08160	28.8
79.05495	15.5
81.03416	6.8
81.04537	10.8
81.07062	13.1
83.04977	10.1
83.08639	2.7
85.02926	13.6
87.00818	6.2
91.05491	30.3
93.03403	2.7
93.07048	34.6
95.04962	28.4
95.08608	17.5
97.02917	5.6
97.06526	7.8
98.97591	22.5
99.04449	5.5
103.05479	6.9
105.01856	3.6
105.03389	3.2
105.07024	43.0
106.04911	4.1
107.04952	3.9
107.08591	19.5
109.02880	3.8
109.06530	22.3
109.10146	8.2
111.04445	23.0
111.08076	4.8
113.05983	7.6
115.05524	3.2
116.98615	8.8
117.07029	16.0
119.06155	2.8
119.08579	53.5
120.08118	37.5
121.02859	11.0
121.06502	27.1
121.10135	14.2
122.07161	100.0
123.08057	16.2
125.05956	3.0
127.07548	3.8
128.06206	6.4
129.06993	9.7
130.07800	3.4
131.08572	29.2
133.06450	6.2
133.10112	14.3
134.99699	3.4
135.08040	42.5
137.09586	12.2
139.03928	7.5
139.07506	5.8
141.07011	4.4
142.07664	3.8
143.08595	13.6
144.04794	27.8
144.05759	3.5
144.09296	4.1
145.02852	3.6
145.06483	10.5
145.10167	20.0
146.07262	3.7
147.04398	2.5
147.08037	29.9
147.11684	12.2
149.06009	6.4
149.09633	9.8
151.07553	3.7
155.08577	5.5
156.09323	3.7
157.10097	11.1
158.07246	11.0
158.99648	9.6
159.08057	26.3
159.11690	34.3
160.08864	3.7
160.61858	2.4
161.05956	3.5
161.09636	30.0
161.13304	6.3
161.88298	2.7
165.09094	19.1
167.07092	3.5
168.09352	4.1
171.08043	6.3
171.11691	4.5
172.08853	11.9
173.01242	6.9
173.09618	10.8
173.13225	15.0
175.07567	41.3
175.11134	23.3
177.00740	4.0
177.05492	9.6
181.06349	2.8
183.11736	7.4
185.09772	5.0
186.10399	5.9
187.11165	26.6
189.09114	7.9
189.12788	10.7
191.07043	3.5
193.08623	13.3
193.10129	3.4
196.08839	3.8
199.11192	10.5
201.09042	3.4
201.12740	24.6
203.07031	4.5
203.10632	27.2
205.08582	3.5
205.12170	6.5
207.13731	3.3
211.11174	13.3
217.12285	18.5
219.01767	3.3
219.13829	11.4
228.55658	3.0
229.12218	26.7
235.13210	7.2
244.99649	4.6
247.10786	5.5
247.13217	45.0
265.08603	4.9
265.11368	4.2
265.14423	65.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
52.95268	0.2
53.03949	0.5
55.01862	0.4
55.05515	11.1
56.05030	0.6
56.96573	1.4
57.03434	0.3
57.05819	1.0
67.05513	0.5
67.42023	0.2
69.03437	1.2
69.07083	0.4
70.06593	0.4
71.04994	0.4
71.50911	0.3
72.08160	100.0
73.02906	0.5
74.41733	0.2
79.05502	0.5
81.04551	0.8
81.07060	1.0
84.08157	0.4
84.96045	0.7
85.02921	1.7
86.09737	0.6
87.00819	0.6
91.05486	1.2
93.07074	0.8
95.04956	0.2
95.08624	0.5
97.02905	0.5
98.97587	3.9
99.01715	0.3
99.04499	0.3
99.97945	0.2
103.05489	0.5
105.01886	0.2
105.07027	2.0
107.08616	0.6
108.51099	0.2
109.02910	0.3
109.06598	0.4
111.04468	0.3
112.99158	0.9
115.03951	0.5
116.98616	1.2
117.07047	0.6
119.08602	1.1
120.08111	14.7
121.06547	0.2
121.10164	0.3
122.07159	6.7
122.08034	0.3
127.03934	0.5
129.07024	0.7
131.00203	0.7
131.04967	0.5
131.07724	0.3
131.08565	1.3
133.10130	0.7
134.99673	0.4
135.08105	0.4
136.06223	0.5
137.06042	0.2
141.05598	0.3
141.06964	0.2
143.08635	0.4
144.04774	1.7
144.09386	0.3
145.02823	0.4
145.04997	0.4
145.06537	0.4
145.10130	0.5
147.08031	0.4
147.11685	1.3
149.01259	0.3
149.05943	0.5
151.07628	0.3
158.99706	1.4
159.08092	0.5
159.11697	2.4
161.13315	0.3
166.05022	0.4
166.08649	11.5
173.01184	1.1
175.07578	0.5
177.00766	0.9
177.05492	0.3
177.12814	0.8
189.12741	0.3
191.02347	0.7
193.08575	0.3
197.68268	0.2
201.00717	0.4
202.98663	0.6
204.07301	0.3
205.12308	0.3
213.07628	0.5
219.01845	0.6
219.14946	0.8
220.99818	0.3
223.13217	0.3
231.08725	0.5
233.08632	0.4
244.99765	0.7
247.10909	0.3
247.14569	0.2
251.09564	0.6
263.00873	0.3
265.11795	0.6
265.15448	6.9
265.58759	0.3
281.10693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
70.95731	0.2
72.41628	0.1
80.72032	0.1
81.21152	0.1
82.99825	0.7
101.00891	6.4
116.98881	0.3
119.01929	6.3
131.60265	0.1
134.99907	0.4
137.02956	0.8
140.98836	1.5
155.43732	0.1
158.99899	4.0
165.99602	0.2
175.03014	0.4
177.00967	15.3
182.99890	1.2
183.01350	0.2
193.03949	0.2
199.03030	0.4
201.00948	3.9
201.02550	0.4
209.98405	0.2
217.04118	2.7
219.02023	19.9
219.94527	0.9
220.02127	0.6
225.00826	2.4
234.00737	0.4
237.95677	0.4
242.03572	0.3
242.96497	0.8
243.01996	13.6
244.02382	0.2
261.03082	100.0
262.03226	1.0
263.03485	0.5
264.32501	0.1
266.00290	0.4
266.03531	0.5
271.27469	0.1
275.04520	0.2
284.04678	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	266.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.3
57.03426	2.0
67.05486	2.2
69.03432	5.0
69.32053	10.4
71.04989	3.2
71.08619	3.4
74.41736	1.2
75.85066	1.1
79.05486	4.0
81.03408	4.2
81.07059	22.4
83.04974	4.3
83.08627	4.0
85.02933	1.9
85.06537	3.2
87.00832	97.9
97.02892	4.3
98.97591	2.9
99.08090	8.9
101.05993	1.4
104.58347	1.2
105.01869	70.7
105.07008	1.5
105.20613	1.2
108.08125	2.4
109.02857	1.7
109.06517	18.9
117.09110	4.4
119.07294	1.9
122.06001	1.6
127.03940	1.9
127.07561	34.0
136.06204	2.7
140.07048	3.0
145.08621	9.4
150.09137	2.1
152.07037	5.9
162.07776	3.0
168.06575	4.1
178.08708	6.2
203.09160	6.1
203.99173	1.2
206.08168	15.4
216.28456	1.3
220.09744	5.0
231.08638	100.0
236.27521	1.3
248.12851	1.7
266.10095	2.0
266.14175	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	266.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01064	1.1
55.05510	6.3
57.03446	2.0
63.89833	1.0
69.03432	1.8
69.67826	6.4
71.04984	2.8
71.08633	2.8
79.05482	3.0
81.03426	1.7
81.07063	17.8
82.68211	1.0
83.04990	3.4
83.08607	6.3
85.06544	3.2
87.00835	85.2
92.25517	1.0
94.06561	1.6
98.97579	4.0
99.08096	8.7
101.06037	1.8
103.68444	1.1
105.01872	69.9
109.06528	14.7
114.06026	1.2
117.09126	4.4
121.10181	1.2
122.06033	2.0
123.06835	4.0
127.07553	31.9
135.08124	1.3
138.05531	8.5
145.08586	6.9
150.05524	9.1
151.06256	5.0
158.99756	1.2
163.03940	1.2
168.06567	26.1
169.07288	1.4
173.01204	1.8
176.33154	1.1
203.09142	5.9
219.01677	1.2
220.13406	1.6
231.08647	100.0
244.99750	2.1
248.12920	2.6
264.72296	1.2
266.13974	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	266.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
56.96555	0.4
59.05000	0.6
61.02928	1.5
67.05478	0.3
69.03410	0.3
70.76780	0.7
71.05005	1.9
79.05490	1.0
81.07058	3.8
87.08104	0.3
91.05458	0.4
93.07036	0.3
94.04048	1.0
98.97581	0.8
105.07035	0.3
109.02861	0.3
113.09676	0.3
119.03551	2.8
136.06190	100.0
137.04587	1.1
138.79611	0.2
150.07745	0.5
153.35625	0.2
158.99602	0.3
173.01141	0.3
176.07869	0.3
223.09113	0.3
233.07755	0.3
234.13501	19.1
266.16125	56.7
267.16293	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1593
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.37095	0.6
51.52916	0.5
53.03951	3.5
55.01875	3.0
55.05513	7.0
56.96567	0.8
57.03156	1.2
57.03439	23.2
59.05005	0.7
65.03941	0.8
66.23724	0.7
67.05508	15.6
69.03429	2.0
69.06750	0.8
69.07060	4.5
70.81998	1.0
71.04990	2.1
73.02910	0.6
79.05496	17.2
81.03422	100.0
81.07060	18.8
83.04981	5.5
83.08626	12.5
85.06546	1.5
91.05485	23.5
93.07050	11.1
95.04970	23.3
95.08606	7.2
97.02903	2.3
97.06532	2.4
97.10174	1.7
98.97588	0.7
99.04463	0.7
99.08086	0.9
103.03939	3.4
104.71436	0.6
105.07039	19.4
107.04957	5.2
107.08596	5.3
109.06514	5.6
109.10155	1.9
111.04451	1.8
111.08087	6.8
113.05990	0.9
113.43453	0.6
115.05457	1.3
117.07010	1.4
119.04966	0.8
119.08581	14.0
121.06517	2.1
121.10148	7.7
123.08073	2.6
123.11682	0.9
125.09662	1.2
126.07671	0.6
128.06238	1.1
129.07019	9.2
131.08565	9.2
133.06509	3.1
133.10146	9.3
135.04475	0.8
135.08099	0.7
135.11726	0.7
137.05994	0.8
137.09639	1.1
142.07773	2.5
145.10097	1.6
147.08046	3.1
147.11705	13.2
149.09593	7.1
157.10130	11.2
157.11331	1.0
161.09593	0.8
163.03929	0.6
163.11185	1.2
165.12756	4.0
167.10802	0.7
173.13263	0.5
175.11197	13.3
185.13371	0.8
193.12247	23.4
203.10716	0.8
205.12283	1.3
211.13283	3.2
249.14839	2.8
267.15918	79.9
267.20816	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	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.83165	0.9
53.03948	3.4
55.01873	3.2
55.05515	10.2
57.03439	23.5
65.03949	0.8
67.05510	25.2
69.03429	2.3
69.07066	7.7
70.56115	2.0
70.56451	1.0
71.04982	1.2
79.05492	24.2
81.03420	85.1
81.07060	37.1
83.04982	11.5
83.08618	15.5
85.06543	2.2
91.05481	29.3
93.07040	13.3
95.04977	21.6
95.08607	12.9
97.02877	2.2
97.06548	5.2
97.10196	2.4
99.08087	1.2
105.07035	24.2
105.07699	1.9
107.04963	6.8
107.08590	7.6
109.06527	5.4
109.10172	2.5
111.04480	1.0
111.08086	7.3
115.05496	1.0
115.59035	1.0
117.07033	2.6
119.08575	19.9
121.06513	2.5
121.10136	9.1
123.08073	2.7
123.11689	5.6
129.07031	8.5
131.08578	9.0
133.06516	2.3
133.10127	10.0
137.09604	1.7
142.07799	3.1
145.10130	2.7
147.08066	3.1
147.11685	26.1
149.09633	4.4
157.10136	13.2
163.11191	1.7
165.12761	10.2
175.11180	12.0
192.30246	1.0
193.10480	1.1
193.12253	22.5
193.47121	1.0
205.12125	0.9
211.13338	3.0
239.07480	1.1
249.11043	1.9
249.14886	1.6
267.12076	46.7
267.15930	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	268.104
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01866	0.3
57.03437	0.4
61.96709	0.2
62.26478	0.1
67.50390	0.1
69.03457	0.2
71.23581	0.3
73.02912	0.2
91.63258	0.2
94.04060	0.3
99.19444	0.2
119.03557	1.1
136.06189	100.0
137.04634	0.3
146.70995	0.2
268.10425	7.3
268.13315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1545
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
50.80408	1.2
53.03949	1.5
55.01872	2.0
55.05271	1.7
55.05515	22.1
56.96554	2.4
57.03425	2.4
59.04993	2.0
60.59340	1.0
63.34367	1.2
67.05512	6.5
69.07059	3.1
70.71296	2.5
70.71613	1.2
75.02522	1.2
79.05502	4.2
80.04587	1.6
80.05022	26.9
80.18250	1.2
81.03429	9.3
81.07039	5.3
82.03727	3.4
82.06579	2.7
82.07368	1.8
83.05006	1.8
83.08627	7.9
91.05469	3.6
92.12106	1.1
93.05775	1.9
93.07032	2.1
94.06573	60.5
95.04951	2.3
95.08592	1.8
96.05295	1.9
97.10152	4.6
105.07022	3.5
106.06551	1.3
107.08543	2.4
110.06066	8.9
111.08117	1.4
119.08507	1.3
120.08107	1.7
121.85602	1.2
122.10440	1.3
126.05508	10.8
132.08878	1.5
136.06194	19.6
138.05507	73.8
148.12032	1.5
149.59590	1.1
152.07112	1.6
157.10052	1.2
157.31935	1.0
160.11182	2.6
174.12767	1.6
176.14299	1.4
186.12717	1.8
192.13832	1.7
204.13832	7.7
215.06497	1.3
222.14903	41.5
232.13347	8.4
250.14401	37.5
268.15463	100.0
268.22363	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	268.9829
Annotation	Unknow
Peak:m/z	Relative Intensity
66.11217	1.2
69.30472	1.0
70.25784	3.6
82.26953	1.1
93.31812	1.0
94.93002	1.3
112.89612	11.8
119.84078	1.2
136.94020	4.4
162.95578	2.8
207.64566	1.1
219.32912	1.1
222.97711	1.5
268.98260	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59205	0.6
53.03941	0.9
53.07842	0.5
55.01876	0.8
55.05512	1.8
55.45263	0.6
57.03432	0.8
57.07079	0.9
67.05505	3.5
69.03432	1.3
69.07053	1.7
69.18953	2.2
69.19374	3.7
71.05002	2.3
79.05481	2.8
81.07063	4.4
83.04974	1.6
83.33134	0.6
85.06533	2.0
90.26471	0.5
91.05473	2.3
93.07054	4.6
95.04977	2.8
95.08597	2.5
96.04789	0.6
96.87557	0.6
97.06532	2.6
98.97556	0.6
99.04474	1.4
100.24075	0.6
105.07032	2.7
107.08585	3.0
109.02859	0.6
109.06528	2.0
109.10161	1.1
111.08083	0.8
117.07016	0.8
117.89033	0.7
119.08551	2.0
121.06528	1.5
121.10162	2.6
123.08051	1.6
125.09640	0.8
127.07593	1.4
131.08614	1.4
135.08038	1.2
135.11708	1.5
136.06180	1.0
137.05930	1.3
140.06850	0.6
143.08626	0.6
145.10117	2.5
147.08089	0.9
147.11732	1.1
159.08009	0.6
159.11717	1.1
163.07512	1.3
163.11160	3.8
167.10550	0.6
173.09715	0.8
181.12288	0.8
187.11230	1.1
191.10670	2.4
205.06477	0.6
205.12216	1.4
209.11707	1.6
211.09616	0.8
222.15805	0.7
223.07550	1.1
225.11284	0.7
227.07224	0.7
233.11642	3.3
243.10768	5.1
251.07088	1.1
251.12604	18.5
269.13629	100.0
269.19489	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03941	3.2
53.93585	1.5
55.01863	2.4
55.05514	20.2
57.03442	35.9
57.07061	6.5
65.03931	2.5
66.31824	1.8
67.05507	72.1
69.07067	31.7
69.23405	3.7
69.23808	11.0
71.04989	5.7
79.05497	47.2
79.37051	1.7
81.03395	2.3
81.07056	100.0
83.04994	12.7
83.08630	17.8
85.06536	7.3
91.05477	22.7
93.07043	68.8
95.04962	4.4
95.08604	28.1
97.06540	14.8
97.10165	2.5
99.08092	5.1
105.07031	11.2
107.08603	37.6
109.06509	3.5
109.10130	5.3
111.08094	11.4
111.11730	2.4
113.06015	1.8
117.07018	10.2
119.08575	5.4
121.10141	23.0
123.08076	2.7
123.11698	4.6
131.08551	12.9
133.10098	9.2
135.08057	2.0
135.11679	14.6
139.11198	3.9
145.10161	3.6
147.11710	3.3
149.09616	1.7
149.13264	57.6
157.10104	3.7
159.11690	24.7
161.13261	2.9
171.11696	1.9
173.13277	1.6
177.12733	10.3
191.14305	4.8
195.13829	17.9
199.14812	2.9
213.16476	4.4
238.51334	1.6
269.17487	72.8
269.22235	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	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.21241	1.3
53.03942	4.0
55.01867	3.4
55.05513	21.5
57.03161	1.6
57.03439	30.6
57.07066	6.1
67.05506	82.7
69.07072	36.0
69.43989	6.4
69.44387	3.5
71.04976	6.2
71.08625	1.7
72.43746	1.4
79.05495	48.4
81.03420	3.2
81.07058	100.0
83.04985	13.6
83.08623	21.0
85.06531	4.6
86.24221	1.6
91.05484	27.2
93.07043	72.2
95.04967	7.4
95.08608	30.3
97.06538	20.7
97.10146	2.4
99.08108	4.8
105.04524	2.2
105.07036	12.4
107.08596	39.3
109.06521	2.4
109.10159	6.8
111.08083	8.2
113.05984	1.6
113.09704	1.5
114.57699	1.5
117.07027	10.9
119.06071	1.9
119.08569	6.1
121.10136	23.8
123.11693	3.6
131.08592	12.1
133.10120	10.0
135.08034	2.1
135.11699	13.1
136.06215	2.0
145.10179	1.6
147.11732	2.0
149.09567	1.5
149.13266	50.7
151.11140	1.7
159.11685	27.5
161.13274	1.6
165.08258	1.6
174.00633	1.5
177.05418	1.6
177.12764	14.5
179.34102	1.4
195.13802	17.2
251.20094	1.9
253.47408	1.7
269.07828	1.7
269.17462	83.4
269.22333	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03933	3.6
55.01872	2.9
55.05518	23.5
55.56164	1.4
57.03442	30.0
57.07058	4.8
57.75383	1.4
67.05507	76.0
67.65791	1.7
69.06743	1.9
69.07073	29.8
70.49445	4.7
71.04977	6.0
77.01810	1.8
79.05498	47.8
81.03414	2.2
81.07060	100.0
83.04980	13.6
83.08176	1.6
83.08632	19.5
85.06528	6.7
91.05489	32.7
93.07049	68.3
93.07641	3.4
95.04956	6.8
95.08615	26.5
97.06544	16.4
97.10168	2.6
99.08095	5.0
105.07038	11.4
107.08606	32.6
109.06499	3.5
109.10136	6.3
110.28223	1.6
111.08085	7.8
111.67322	1.3
117.07022	10.5
119.08601	4.7
121.06501	1.9
121.10149	18.6
123.11697	4.5
127.07552	1.5
131.08585	14.8
133.10141	13.5
135.08040	2.0
135.11716	14.0
139.11226	2.1
145.10120	3.1
146.93245	1.4
147.11697	2.5
149.13275	42.4
151.11172	2.2
153.86639	1.7
157.10136	4.1
159.11697	28.5
161.13214	3.4
167.14354	2.0
171.11601	2.9
173.13297	1.8
177.12752	15.0
178.15327	1.4
179.14261	4.1
185.13278	1.8
195.13835	16.4
199.14871	4.3
213.16437	3.4
226.06824	1.7
227.17938	2.0
269.17477	83.3
269.22324	15.4
271.32623	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01869	5.2
55.05516	20.1
55.09128	1.8
56.96566	2.0
57.03445	19.6
57.07063	6.2
65.03933	2.6
67.05511	74.0
69.03416	3.8
69.07074	30.7
71.03221	4.2
71.04977	7.0
71.08615	2.5
75.80952	2.2
79.05079	3.2
79.05499	45.7
81.03394	7.5
81.07065	100.0
83.04982	12.7
83.08620	17.1
85.06522	8.7
91.04977	3.1
91.05487	34.9
91.39942	2.1
93.06499	3.8
93.07054	64.6
95.04977	10.4
95.08614	33.0
97.06535	20.1
97.10179	4.5
99.04458	2.6
99.08076	5.5
105.07048	23.6
107.04943	3.5
107.08612	39.8
109.02848	2.1
109.06506	8.1
109.10137	8.4
111.08055	8.7
111.11720	2.3
117.07016	18.8
119.08583	13.6
121.06472	5.6
121.10145	20.9
123.08071	4.1
123.11690	7.3
125.05984	4.5
127.07507	2.1
129.06973	5.6
131.08572	19.4
133.10149	23.5
135.04446	5.0
135.08049	5.2
135.11720	13.7
136.06107	2.5
137.05884	4.1
139.11224	2.1
142.07753	2.7
143.08582	6.5
145.10114	17.1
147.11673	5.4
149.05978	2.7
149.09564	2.7
149.13260	31.6
151.07524	3.1
151.11211	3.5
155.08511	3.5
156.09274	2.3
157.10138	13.9
159.08084	2.6
159.11707	43.1
161.13272	6.6
163.11209	11.1
170.10814	2.8
171.11703	13.7
173.09605	7.1
173.13254	10.0
177.12770	22.7
179.14345	4.0
181.12181	2.8
183.11665	3.3
185.13287	13.6
187.11130	6.0
187.14781	7.2
191.10641	3.0
195.13811	14.3
197.09691	2.3
197.13100	2.2
199.14844	18.1
200.15631	1.9
205.12166	4.6
213.16365	16.1
215.10635	5.2
227.17900	6.6
233.11748	7.1
241.19463	4.9
246.04964	3.1
251.12653	13.7
251.16338	4.5
251.20294	2.9
269.07947	3.6
269.13385	14.2
269.17456	72.0
269.22598	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03933	3.3
55.01860	2.9
55.05278	1.6
55.05516	21.9
57.03160	1.7
57.03440	27.4
57.07063	3.7
59.66863	1.2
62.58741	1.0
65.03925	1.7
67.05509	78.4
68.32871	1.0
69.03420	2.4
69.06734	1.9
69.07072	23.7
70.46070	3.6
70.56122	0.9
71.05019	6.2
71.08624	1.4
73.02904	1.2
77.03894	1.5
79.05499	47.6
81.03455	1.4
81.07059	100.0
83.04984	8.9
83.08620	17.9
85.02934	1.1
85.06548	5.4
91.05482	31.5
91.83222	1.1
93.07050	72.2
95.04994	5.8
95.08614	29.3
97.06530	17.8
97.10160	1.7
99.08089	5.9
101.06030	1.0
105.04499	1.5
105.07023	11.7
107.07883	2.2
107.08600	35.9
109.06507	4.8
109.10151	5.9
111.08091	10.4
113.09641	2.6
115.07709	1.0
117.07016	14.6
119.08582	4.5
121.06525	1.4
121.10159	16.3
123.11680	3.6
125.09644	1.4
129.07030	1.3
131.08563	14.7
133.10155	17.5
135.08000	1.4
135.11696	11.9
139.11133	1.4
147.11726	2.3
149.09648	1.2
149.13271	43.6
151.11180	2.2
159.11705	35.1
161.13252	3.8
167.14340	2.3
177.12769	19.6
179.14276	3.9
185.41443	1.1
195.13815	20.5
213.14819	1.4
251.16405	1.4
269.17484	95.8
269.22513	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	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.36537	0.9
53.03932	3.0
55.01860	3.3
55.05271	1.5
55.05516	23.3
57.03440	32.6
57.07079	7.0
65.03939	2.2
67.05511	81.1
69.07073	28.9
70.56594	2.6
71.04982	4.5
71.08624	3.7
73.02887	2.1
73.56759	0.8
79.05502	45.7
81.03413	2.0
81.07063	100.0
83.04986	11.9
83.08623	22.1
85.06537	5.9
91.05486	26.8
93.07052	76.1
95.04959	4.9
95.08617	34.0
97.06535	19.5
97.10168	3.5
99.08089	5.0
101.06059	1.0
105.04521	1.6
105.07030	10.7
107.08604	35.5
109.06510	2.9
109.10139	7.2
111.08102	8.9
113.05957	1.2
113.09624	1.1
117.07033	13.8
119.08570	3.4
121.06507	1.4
121.10154	23.9
123.08112	1.0
123.11724	5.5
125.09589	1.3
130.89243	0.9
131.08582	12.7
133.10130	17.0
135.08057	2.5
135.11705	16.3
138.85390	0.9
139.11192	1.8
144.47704	1.0
149.09622	5.3
149.13275	38.5
151.11160	2.3
159.10460	2.0
159.11710	28.3
161.13257	2.7
167.14365	1.5
177.12772	16.2
179.14296	3.0
195.13820	17.4
197.19070	1.3
205.19580	6.5
210.82407	1.1
223.20657	1.8
241.21526	4.9
269.17508	82.3
269.20880	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	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03942	2.7
55.01853	3.5
55.05282	1.8
55.05513	22.9
57.03437	32.9
57.07083	5.5
58.08349	1.1
63.69408	1.2
65.03923	2.0
67.05505	76.1
69.07067	30.0
70.77628	2.9
71.01353	1.2
71.04970	6.8
79.05494	42.6
80.00342	1.0
81.03394	3.1
81.07056	100.0
83.04974	10.6
83.08617	17.7
85.06544	8.4
91.05485	19.5
93.07047	66.4
95.04984	8.2
95.08605	26.4
97.06525	17.0
97.10137	3.5
99.08073	5.6
105.07036	9.2
107.04957	1.3
107.07885	2.7
107.08586	38.2
109.06519	3.2
109.10137	7.2
111.08078	10.1
111.11731	1.8
113.05978	2.8
113.09656	1.4
117.07021	12.2
119.08557	5.0
121.06498	2.2
121.10146	24.6
123.07997	1.2
123.11690	5.4
125.09606	2.0
127.07519	1.3
129.06857	1.6
131.08569	11.7
133.10112	10.0
135.08032	3.9
135.11693	13.9
139.11157	3.1
147.11719	1.5
149.09583	1.5
149.13260	57.1
158.48421	1.4
159.11691	25.1
163.11224	1.1
167.14287	1.2
173.13258	1.4
177.12727	12.3
179.14279	1.1
195.13814	19.2
199.30455	1.2
213.14899	2.0
223.07523	1.8
223.34331	1.4
251.12555	3.9
251.16324	1.6
269.07816	1.6
269.13171	2.9
269.17435	63.4
269.22345	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	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03933	3.5
55.01863	3.6
55.05275	1.5
55.05512	20.8
57.03441	30.5
57.07057	4.6
65.03938	3.3
67.05506	81.1
69.07072	27.0
70.25136	4.4
71.05002	5.6
71.08616	1.6
79.05497	47.2
81.07059	100.0
83.04993	11.2
83.08620	19.8
85.06575	5.6
91.05480	28.6
93.07046	75.6
95.04956	5.4
95.08614	31.8
97.06530	19.6
97.10170	2.6
99.08095	6.0
103.03957	1.5
105.07042	13.0
107.07883	1.9
107.08603	37.7
109.06530	3.0
109.10185	6.4
111.08092	7.7
117.07025	15.2
119.08574	5.1
121.06484	2.0
121.10145	19.9
123.08112	1.5
123.11678	3.3
127.07530	1.7
129.07022	1.6
131.08583	15.5
133.10141	17.3
135.08009	1.8
135.11688	13.2
145.10007	1.2
147.11702	2.5
149.09630	2.3
149.13263	47.6
151.11157	2.1
157.10161	2.1
159.11700	35.3
161.13240	5.1
167.14297	2.6
173.13277	2.9
177.12770	24.0
179.14369	5.7
181.10222	1.2
187.14812	2.2
195.13828	15.1
199.14821	2.7
213.14760	1.7
216.33423	1.2
224.58337	1.3
240.36798	1.2
251.20161	2.1
269.17480	96.3
269.22583	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	269.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28051	1.7
53.03947	3.2
55.01862	2.9
55.05270	3.1
55.05516	42.9
57.03444	28.4
57.07077	29.8
65.03935	4.1
67.05509	72.1
69.03416	4.0
69.07071	58.9
69.38293	4.2
69.38687	14.4
71.04996	8.2
71.08630	15.8
79.05497	53.6
79.06464	1.8
81.07059	100.0
83.04977	12.2
83.08619	44.9
84.39201	1.9
85.06544	6.9
85.10181	6.0
87.04480	4.4
90.20556	1.8
91.05483	20.6
91.22782	1.8
93.07047	67.7
95.04966	4.1
95.08609	58.6
97.06532	27.4
97.10168	21.5
97.23520	2.0
99.08093	4.6
101.06020	3.7
103.59966	1.7
105.07037	11.2
107.08597	44.4
109.10165	33.4
111.08110	9.9
111.11726	5.4
113.09647	2.8
117.07021	9.0
119.08591	5.7
121.06554	2.5
121.10144	52.4
123.11707	19.6
125.09644	4.4
127.11217	2.3
131.08577	11.1
133.10170	10.2
135.08060	2.0
135.11688	32.9
137.13264	3.5
137.91083	2.0
139.11198	4.3
143.08578	3.0
145.03262	2.1
145.10094	5.3
146.07465	1.8
146.75987	1.9
147.57104	1.8
149.09665	3.4
149.13260	38.5
153.12883	2.4
155.14375	3.7
157.10097	5.3
159.11720	12.2
161.13362	2.3
163.14847	5.4
167.14311	2.7
171.11745	2.0
173.13264	4.7
177.12750	6.5
179.17998	2.6
185.13254	2.3
187.14876	2.2
195.13853	9.4
197.19012	12.7
199.14851	3.1
205.19530	42.7
223.20569	19.1
226.10992	2.4
241.21638	39.4
251.20088	2.7
254.10556	3.9
269.13022	3.9
269.14935	3.4
269.17493	40.5
269.21201	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	270.17
Annotation	Isoretrohoustine
Peak:m/z	Relative Intensity
53.03924	0.5
55.01880	2.9
55.05281	0.4
55.05513	4.3
55.70004	0.4
56.05019	0.6
56.90600	0.4
57.03423	0.6
58.02945	0.9
60.97588	0.4
62.82837	0.4
64.75052	0.4
65.03909	0.4
67.05512	5.1
68.05833	0.6
69.07054	2.3
70.06566	0.8
71.04968	0.6
71.52668	0.7
79.05502	3.7
80.05009	0.8
81.03390	0.4
81.05827	0.4
81.07052	5.5
82.02937	0.6
82.06585	6.7
83.04954	0.6
83.08601	1.6
84.04509	7.7
84.08126	0.4
85.06528	1.1
91.05468	1.7
93.07035	3.3
94.06568	4.0
95.04967	0.8
95.08607	2.6
96.04489	1.1
96.08111	1.9
97.06487	0.5
98.06051	3.7
100.11260	3.4
105.07023	1.6
106.06568	0.4
107.04952	0.5
107.08597	2.0
108.08091	1.7
109.08893	0.8
109.10159	1.2
110.06043	16.4
110.09667	3.8
110.10482	1.1
111.04446	0.7
111.08070	0.5
112.07576	1.1
114.09189	2.6
117.06963	0.5
119.08553	1.0
121.10141	1.2
122.06025	1.6
123.10424	0.8
124.07606	3.6
126.05521	2.1
126.09155	2.1
128.07082	1.7
131.08543	0.9
133.10109	0.8
134.06018	0.8
135.11682	0.7
136.07591	5.9
138.09145	12.8
142.08658	3.0
142.55768	0.5
145.10126	1.0
149.09621	0.6
150.09135	1.0
154.08626	4.1
154.12257	0.9
155.08585	0.5
156.60503	0.4
160.11163	0.4
162.09077	0.7
162.12785	1.0
163.11165	0.5
164.10648	1.0
166.12262	0.5
173.09631	0.6
174.12079	0.6
180.13835	3.3
182.15392	0.7
188.14406	0.6
190.12231	2.1
192.13809	1.2
206.15416	4.8
208.13316	3.4
210.14848	0.8
216.13826	0.9
224.16460	4.4
234.14920	7.2
242.17578	1.7
252.15959	73.6
254.18005	0.7
269.70303	0.5
270.17017	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03707	1.1
53.03946	12.2
55.01873	1.1
55.05509	2.7
57.03437	3.5
57.38176	0.6
61.02939	0.9
62.09592	0.6
65.20283	0.6
67.05507	0.7
69.03432	40.4
69.07084	0.8
70.06595	2.0
70.81774	1.2
71.01361	1.0
71.05002	6.5
71.70407	0.6
72.08161	1.4
73.02923	8.5
79.05517	1.4
81.03422	38.5
81.07061	1.2
83.04998	1.7
85.02908	18.8
87.04477	2.5
91.05491	1.4
95.04999	0.9
95.08610	1.4
97.02294	1.3
97.02898	18.0
97.06530	0.7
98.59412	0.5
98.97618	0.9
99.04457	46.2
103.03947	8.2
104.71765	0.6
105.07001	0.8
109.02884	100.0
116.07112	0.8
119.08598	1.0
121.06542	0.6
127.03923	82.9
131.08528	0.7
132.24577	0.6
137.06055	0.6
145.04967	3.1
163.07593	1.3
165.09087	0.8
167.06949	0.9
169.05008	1.6
172.65193	0.6
191.06996	0.8
193.05035	0.8
194.71729	0.7
209.08026	1.9
227.09116	0.7
235.06117	1.8
253.07127	5.5
257.55719	0.6
271.07968	13.1
271.10422	0.9
271.17148	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.0
55.01875	0.8
55.05500	1.7
57.03433	2.1
67.05501	1.2
69.03435	20.7
69.03813	1.3
69.07101	0.7
69.43152	2.5
69.43584	2.2
71.04994	5.1
73.02920	10.3
79.05463	1.0
79.23205	0.6
81.03421	34.1
81.07066	1.3
83.04993	1.2
83.08614	0.6
85.02910	13.7
87.04476	2.7
89.69817	0.5
91.05468	1.2
93.07005	0.7
95.04992	1.2
95.08630	1.4
97.02293	1.1
97.02895	13.8
98.20693	1.2
99.04464	32.7
101.02384	0.9
103.03950	6.0
105.07018	1.3
107.08617	0.8
109.02885	100.0
109.10143	0.7
117.07014	0.9
121.06508	1.0
123.08068	2.0
125.09663	0.6
127.03923	57.9
131.08543	0.6
135.08083	0.8
145.05017	3.4
163.07591	0.9
169.04953	2.4
171.11751	0.7
173.95857	0.6
191.07072	1.2
193.04970	1.8
209.08154	1.9
209.76363	0.6
225.07579	0.7
235.06139	1.0
253.07085	2.6
253.10661	0.8
271.08084	6.6
271.10580	1.0
271.20584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.8
52.89554	0.7
53.03951	11.9
54.49450	0.6
55.01868	1.3
55.05507	2.9
57.03432	2.3
64.61330	0.6
65.80687	0.6
67.05517	3.6
69.03435	39.8
69.07085	0.8
70.06612	0.7
71.01350	0.8
71.04998	5.6
71.24461	0.9
73.02922	9.4
74.83185	0.5
79.05486	1.9
81.03423	37.0
81.07075	4.8
83.04965	1.4
85.02911	18.5
87.04463	1.9
91.05481	2.1
93.07043	2.3
95.04965	1.5
95.08611	2.0
97.02903	15.5
97.06524	1.5
97.70065	0.6
99.04461	43.1
99.08080	0.9
101.02364	0.7
103.03941	6.6
105.07021	2.4
107.08593	2.1
109.02887	100.0
109.06559	1.0
109.10152	1.9
110.03651	0.6
111.04454	1.0
115.03935	0.8
116.10802	0.6
117.07039	0.9
119.08583	1.3
121.06527	1.0
121.10142	1.2
123.04489	0.8
123.08110	0.8
125.02361	0.8
127.03926	83.5
131.08609	0.7
133.10152	2.2
135.08092	0.7
137.06017	1.4
137.09663	0.7
145.04985	3.1
147.11696	0.8
151.07642	0.7
161.09653	1.0
163.07549	0.8
169.04980	1.8
171.11734	0.9
179.10684	0.7
189.12732	0.9
191.07051	0.8
198.14919	1.9
209.08168	1.1
217.12158	1.0
226.14282	3.4
235.06006	1.3
235.13338	1.3
253.06993	4.5
253.11938	0.7
271.08087	6.4
271.10107	0.9
271.17010	2.5
271.20007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1442
Annotation	Quinolactacin A
Peak:m/z	Relative Intensity
53.03936	1.2
55.01861	0.8
55.05505	1.9
56.05035	0.9
56.84769	0.8
57.07091	1.0
58.83775	0.8
66.29082	0.8
67.05508	4.3
69.07056	2.6
69.89064	2.6
69.89487	1.4
79.05499	4.3
81.03403	1.4
81.05790	1.0
81.07056	4.1
83.04964	1.1
83.08613	1.2
91.05507	4.3
93.05796	1.3
93.07041	3.0
95.04945	1.1
95.08601	3.4
95.16592	0.7
96.08144	3.7
97.02890	2.8
97.10143	1.2
105.07054	4.3
106.06541	2.8
107.04952	3.7
107.08610	1.9
108.08120	13.2
109.02883	11.5
109.10146	1.9
111.08073	2.0
115.05518	0.9
117.07011	2.7
119.08555	2.9
122.09670	2.5
129.07043	1.8
131.08543	0.9
133.06517	1.1
133.10127	4.6
134.06044	1.7
136.07587	1.7
143.08559	1.8
144.08063	1.2
145.06519	1.1
145.10150	0.9
146.09731	1.2
147.08032	1.4
148.07608	1.5
153.06998	1.0
155.08527	1.2
157.10109	1.6
159.08064	12.9
159.09265	1.9
161.09637	4.4
168.08073	3.5
169.08871	3.0
169.10170	1.2
170.09651	1.1
171.08026	1.1
172.07591	2.0
174.09177	1.9
181.10091	1.9
182.09660	1.9
183.06779	1.3
183.10402	5.3
183.11830	1.4
185.10846	1.9
186.11522	2.6
189.09171	6.0
196.07570	5.0
197.08372	11.5
198.09196	2.1
198.12787	8.2
199.08691	10.0
200.13100	1.3
207.10185	2.9
208.11253	1.3
210.09125	2.0
211.09946	21.0
213.10257	15.3
214.11075	6.5
215.15411	4.3
225.11241	18.2
225.13411	1.9
225.16196	1.0
226.12289	36.8
227.08350	1.2
227.11804	16.5
228.12592	29.1
239.12636	0.9
240.08972	0.9
241.09654	1.7
242.10454	2.4
243.14977	25.3
243.17178	1.0
253.13484	5.2
253.15831	1.4
254.11830	2.5
254.24696	1.1
255.11304	11.3
256.12103	15.9
271.14441	100.0
271.16855	4.2
272.25760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01873	8.4
55.05513	15.0
56.96555	4.4
57.03439	5.6
57.07069	3.9
58.01559	2.3
59.04995	2.9
67.05502	22.7
69.03430	9.4
69.07071	16.6
69.89265	6.9
69.89651	5.3
71.05000	9.1
73.02940	3.1
79.05502	28.0
81.03427	10.2
81.07058	67.0
83.04982	12.9
83.08623	9.1
85.02901	3.8
85.06544	11.1
91.05492	29.2
93.07052	73.7
93.07645	3.5
95.04963	15.2
95.08611	30.9
97.02892	5.1
97.06534	25.2
98.20802	3.1
99.04453	23.2
101.06036	2.5
105.07044	46.4
107.04957	2.6
107.08603	40.1
109.02854	21.2
109.06536	38.8
109.09520	3.4
109.10158	19.2
111.08093	7.3
113.06020	4.2
115.59196	2.4
115.79018	2.2
117.07025	8.5
119.08584	32.9
121.06514	87.3
121.10147	14.0
123.08083	9.5
123.11700	8.4
125.06008	6.4
127.03934	12.0
127.07551	15.1
128.06317	3.7
129.07043	10.9
131.08603	11.5
133.06531	7.5
133.10150	23.1
135.04445	6.0
135.08080	19.3
135.11671	4.0
137.05991	6.6
137.13263	2.6
139.07562	18.9
141.07037	4.3
142.07790	6.9
143.07088	4.4
143.08582	14.3
144.05768	4.5
145.06505	3.4
145.10147	17.8
147.08067	6.4
147.11699	57.4
149.13290	5.2
151.11230	5.3
155.08588	5.3
157.08875	4.0
157.10161	25.0
159.08052	36.3
159.11694	6.7
161.09662	6.4
161.13234	14.4
163.11238	3.8
163.14789	4.2
165.12773	35.1
166.07813	5.1
169.10184	5.9
171.08115	3.4
171.11691	22.1
173.09616	11.1
173.13258	5.4
175.11211	26.9
181.10138	5.5
183.11809	2.9
183.13841	5.3
185.09615	3.0
189.12752	30.5
193.12198	21.2
197.13234	3.4
199.11206	32.7
201.12808	7.7
207.13797	20.9
209.15344	4.0
211.11324	2.8
211.13145	4.6
211.15083	3.1
213.16255	4.1
215.14375	3.8
217.12256	100.0
225.16396	4.6
229.14340	5.7
235.13303	90.9
235.15614	5.3
253.14273	56.2
253.19394	3.9
271.09619	7.5
271.16940	27.0
271.20593	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	271.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01882	3.3
55.05522	11.0
57.03424	6.7
57.07080	5.0
67.05505	19.5
69.03432	6.7
69.07077	10.7
69.88787	11.7
71.04997	7.6
79.05503	26.8
79.85907	2.1
81.03419	11.3
81.07058	56.8
83.04985	10.8
83.08612	7.2
85.02897	5.2
85.06544	6.9
91.05479	24.4
93.07054	63.4
95.04990	13.4
95.08603	34.3
97.02918	3.1
97.06543	24.3
97.10211	3.4
98.20856	4.3
99.04469	19.5
99.08095	2.5
105.07035	46.1
107.04958	5.1
107.08598	31.9
109.02879	19.4
109.06526	29.0
109.10159	19.6
111.08094	7.3
113.06012	3.3
115.05450	2.8
117.07030	8.2
119.08587	27.0
121.06516	72.2
121.10149	9.2
123.04442	4.7
123.08076	9.5
123.11725	10.0
125.05986	6.5
127.03943	5.9
127.07562	12.1
128.06300	3.3
129.06995	6.3
131.08578	9.6
133.06516	5.4
133.10135	26.0
135.04417	2.6
135.08086	19.6
135.11691	4.3
137.05986	4.5
139.07549	15.8
141.06969	4.7
142.07811	5.1
143.07030	3.3
143.08603	17.6
144.05698	3.0
145.10132	14.0
147.08064	7.4
147.11691	48.4
147.12805	3.3
149.09616	3.8
149.13248	4.0
151.11221	7.2
153.06981	2.1
155.08592	6.7
156.09357	3.3
157.06496	4.2
157.08717	4.5
157.10147	25.3
158.07401	2.2
159.08078	34.4
159.11771	6.6
161.05916	3.7
161.09662	6.3
161.13249	12.4
163.11078	2.5
163.14818	2.7
165.07022	3.3
165.12782	26.5
167.41504	2.3
169.10208	5.2
171.11699	20.9
173.09592	12.2
173.13307	5.3
175.11205	26.4
178.36577	2.9
181.10117	4.9
183.11734	2.9
185.09618	2.9
185.13304	2.3
187.11278	4.1
189.12758	30.3
191.57262	2.5
193.12303	18.5
199.11215	26.2
201.12717	5.8
207.13835	18.0
209.15485	3.2
211.13307	9.2
213.16342	2.8
215.14185	2.7
215.18138	2.2
217.12253	100.0
217.19597	2.8
225.16498	4.8
226.12257	4.0
229.14287	6.3
229.16217	3.0
235.13290	96.6
243.06511	2.5
243.17441	4.0
253.14294	48.2
253.19676	3.6
267.36084	2.5
271.06006	5.3
271.09723	8.0
271.16974	15.9
271.20578	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	271.1694
Annotation	17beta-Dihydroequilin
Peak:m/z	Relative Intensity
53.03943	0.7
55.01863	0.8
55.05519	4.4
57.03430	0.7
57.07064	0.8
67.05519	4.3
69.07057	1.7
71.05013	1.4
71.53288	0.9
79.05490	6.0
81.07053	5.1
83.04953	0.7
83.08622	3.6
85.06564	0.8
88.55818	0.6
91.05499	5.8
93.07043	5.0
95.08598	2.4
97.06544	0.8
97.10159	1.8
99.79437	0.7
105.07029	1.7
107.05000	0.6
107.08602	4.5
109.02879	0.9
109.06528	0.9
109.10145	2.3
111.08080	1.9
114.66755	0.6
115.05439	1.0
116.06239	1.1
117.07030	10.5
119.04973	0.6
119.08583	20.1
121.10155	2.7
123.08064	0.8
125.09641	1.3
128.06242	1.5
129.07021	3.1
131.08583	4.1
133.06546	2.9
133.10123	1.2
135.08064	9.1
143.08572	2.1
144.05734	6.6
145.06503	2.8
145.10123	6.0
147.08052	3.0
149.05992	1.0
149.09601	1.3
155.08534	1.3
157.06517	1.2
157.10149	3.9
159.08060	100.0
159.11694	2.0
160.08371	0.6
161.09654	3.6
163.07492	0.7
165.06995	0.7
169.10141	2.7
171.11668	0.9
173.09631	12.1
175.07545	2.2
179.08575	0.7
183.08032	1.5
183.11749	1.2
185.09601	3.6
187.11145	1.5
197.09627	1.5
197.13264	1.2
199.11131	1.3
199.76813	0.7
207.11806	1.1
211.11247	1.5
211.14760	0.7
225.12778	1.9
225.16423	2.0
235.14886	2.4
243.17451	1.7
253.15921	9.5
271.05884	1.0
271.09595	2.0
271.16959	19.5
271.20288	1.6
274.77896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2268
Annotation	16-Hydroxyhexadecensaure
Peak:m/z	Relative Intensity
53.03940	1.6
55.05516	20.1
57.07077	12.8
67.05507	52.0
69.07071	40.2
69.74327	1.4
70.10182	4.8
71.04974	1.6
71.08647	5.7
74.55470	1.1
79.05497	8.2
81.07059	67.8
83.05003	1.7
83.08624	28.3
85.06542	3.9
85.10181	3.7
91.05479	4.8
93.07036	6.7
95.08610	100.0
97.06518	2.8
97.10171	18.3
99.04365	1.6
99.08098	1.7
105.07029	3.3
107.08585	4.0
109.02872	1.4
109.10158	47.7
111.08082	1.9
111.11717	13.0
117.06958	1.9
119.08579	5.9
121.10130	3.5
123.08105	1.6
123.11703	23.3
125.13264	6.9
133.10126	3.8
135.08060	3.0
135.11653	1.8
137.13258	14.3
143.08530	1.5
145.10110	1.9
147.11667	3.3
151.14752	7.3
159.08069	13.2
161.13191	1.9
165.16371	1.5
169.09985	1.7
171.11612	1.7
173.09686	1.6
173.13405	1.4
184.02740	1.4
190.78862	1.2
191.65184	1.3
193.19547	1.4
207.21100	22.2
211.14738	1.4
213.16435	1.3
217.19528	5.0
225.22116	14.1
235.20517	4.8
253.15923	1.5
271.05841	1.4
271.09543	1.3
271.16705	5.1
271.19034	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	271.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29575	1.1
53.03951	2.3
55.05514	15.6
55.61291	1.3
57.07079	12.1
67.05507	50.1
69.07072	38.0
69.89442	5.3
71.04987	2.6
71.08626	4.0
79.05478	5.3
81.07060	74.0
83.04978	2.5
83.08616	25.1
85.06526	4.2
85.10182	1.6
91.05469	3.2
93.07067	5.9
95.08610	100.0
96.69574	1.2
97.10173	12.8
99.04424	1.3
99.08075	2.3
105.07026	3.4
106.54042	1.1
107.08590	3.5
109.06554	1.6
109.10162	46.4
111.11736	9.9
117.07023	2.4
119.08580	2.3
121.10154	3.5
123.10835	1.7
123.11713	23.2
125.09647	1.2
125.13250	6.8
127.11230	1.2
129.07021	1.9
131.08591	1.1
133.10135	4.0
137.13268	12.4
145.06427	1.4
145.10085	1.8
147.11617	1.7
151.11195	1.5
151.14803	7.9
159.08076	13.2
173.09615	1.3
175.07571	1.8
185.09622	1.4
207.21075	20.8
225.22124	13.5
235.20393	1.4
253.15707	3.5
261.00577	1.2
266.08023	1.3
271.05972	2.7
271.13162	2.5
271.16870	7.9
271.20602	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	272.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	41.4
69.07047	64.5
70.61696	100.0
72.78427	38.8
81.07065	56.0
83.08575	48.1
95.08585	45.0
100.71353	39.5
110.03181	47.0
183.10457	38.5
189.45178	38.6
227.12817	51.9
272.09299	49.0
272.12662	75.7
272.20874	52.9
272.25662	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0372
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
61.45778	21.5
63.98320	20.4
65.52066	20.2
69.03417	53.3
70.24481	57.5
73.02907	29.3
85.02888	100.0
97.02867	50.6
101.00836	24.6
105.12431	19.9
123.56171	21.5
127.03900	26.6
143.01921	98.8
157.89534	22.0
161.02925	44.1
173.02940	63.3
174.04448	48.7
177.20740	24.9
183.05023	45.2
185.02945	46.4
192.05515	35.7
203.03961	91.2
213.61569	22.2
246.50963	22.8
260.94540	23.5
263.06015	51.3
273.03766	75.0
283.04718	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03949	0.7
55.01878	2.6
55.05512	21.8
55.39035	0.4
57.03428	1.3
57.07078	1.2
59.04997	1.1
65.03936	1.0
65.17364	0.5
67.05505	13.4
69.02799	0.4
69.03421	1.6
69.07071	10.0
70.92271	1.3
71.04992	1.7
79.05022	0.6
79.05495	14.3
81.07056	20.0
83.04987	2.3
83.08617	10.3
85.06556	0.9
91.05483	27.0
93.07042	12.6
93.07633	0.6
95.04967	1.7
95.08610	9.0
97.06528	1.9
97.07131	0.5
97.10179	5.7
99.08075	0.7
103.05505	2.3
105.04536	0.5
105.07036	27.7
107.04967	2.2
107.08582	6.4
109.06516	2.7
109.10156	2.2
111.08076	1.1
115.05453	3.7
116.06238	3.5
117.07019	24.7
119.04941	1.0
119.08590	14.5
121.06530	2.8
121.10136	3.6
123.08080	2.8
123.11679	0.6
125.09643	1.9
128.06226	6.9
129.07010	11.4
130.07790	8.5
131.08572	56.4
133.06519	3.5
133.10130	6.6
135.08052	2.2
135.11682	1.5
141.06998	1.7
142.07771	2.5
143.08563	47.6
144.09334	2.3
145.06480	1.8
145.10124	65.2
147.08037	6.9
147.09090	0.6
147.11700	2.8
149.09637	2.3
151.11200	0.7
155.08565	3.1
156.09349	0.8
157.10132	13.2
158.10895	1.0
159.08069	2.0
159.11703	12.6
161.09627	7.5
161.13252	0.7
163.03932	0.6
163.11183	2.0
165.06987	0.6
167.08499	1.1
169.10112	7.1
171.08070	0.8
171.11684	8.6
172.12537	0.6
173.09657	1.8
173.13239	2.5
175.11142	2.9
177.12730	1.6
181.10165	3.3
183.11745	2.3
185.09596	1.0
185.13226	3.4
187.11198	0.9
187.14825	0.6
189.12733	1.3
193.12250	0.7
195.11714	7.6
197.13339	0.7
199.11182	1.7
199.14752	0.6
201.12738	0.6
206.85022	0.5
207.13641	0.7
209.13301	1.1
211.14833	1.5
213.12750	1.4
213.16408	1.1
217.12448	0.5
227.14339	0.5
227.17946	4.1
237.16386	11.9
245.15358	0.6
245.18965	2.9
255.14865	1.0
255.17448	14.6
273.18497	100.0
276.06973	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.01862	1.3
55.05505	4.3
57.07060	1.8
63.55202	1.2
65.03950	1.2
67.05510	7.1
69.03410	2.3
69.07056	3.0
70.96689	1.9
70.97001	1.7
71.04981	4.3
79.05497	5.7
81.07055	5.3
83.04966	4.0
83.08623	2.6
85.06535	5.6
91.05486	10.9
93.07047	9.3
95.04978	26.4
95.08619	6.8
97.10173	1.4
99.08110	1.5
102.69505	1.3
105.07037	16.1
107.08603	11.8
109.06522	26.8
109.10197	7.2
111.08085	4.6
115.05436	1.5
117.07031	5.8
117.23405	1.2
119.08588	27.0
121.06558	2.1
121.10173	6.5
123.08087	18.6
128.06265	1.8
128.79895	1.2
129.07011	3.7
130.07750	4.2
131.08577	18.5
133.06503	1.4
133.10135	10.7
135.08051	8.8
135.11708	2.8
137.09613	10.0
141.06967	1.5
142.07750	5.6
143.08577	12.2
144.09325	3.0
145.10120	38.8
147.08075	4.0
147.11696	17.9
149.09662	4.4
151.07547	2.1
151.11188	3.4
155.08614	3.8
156.09300	8.0
157.10146	21.8
158.10948	4.0
158.66949	1.3
159.08067	4.8
159.11693	16.9
161.09618	7.8
161.13249	1.9
163.11226	4.0
163.14725	1.4
167.08521	1.7
169.10117	5.1
170.10913	2.9
171.11671	20.8
172.12500	2.7
173.09637	8.0
173.13255	21.9
174.01755	1.3
174.10419	2.4
175.11153	10.7
177.12717	2.9
180.45175	1.5
181.10126	2.2
182.10939	4.0
183.11679	5.4
185.13235	10.8
187.11194	18.2
187.14816	6.7
189.12753	14.5
191.14328	1.6
195.11742	3.6
196.12511	2.4
197.13292	14.2
199.11197	9.4
201.12660	2.1
203.14322	4.2
207.11699	2.2
211.14864	3.6
213.12759	5.4
213.16370	15.4
214.13632	2.0
215.14314	33.2
217.12253	9.3
225.12766	2.1
227.17960	3.1
229.15823	2.4
231.17441	13.9
237.16370	3.7
243.13667	1.6
245.19038	1.8
255.17433	26.1
258.21033	1.4
273.18506	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.02378	0.7
53.03949	1.2
55.01854	1.4
55.05516	4.9
57.07057	1.9
59.04980	1.1
62.70410	0.6
65.03936	1.4
67.05508	8.3
67.09592	0.6
69.03423	2.1
69.07070	6.3
69.52902	0.7
71.04980	1.9
71.16967	1.1
74.63271	0.7
79.05073	0.8
79.05498	8.7
80.38927	0.7
81.07063	8.4
83.04990	1.2
83.08618	3.3
85.06539	4.0
86.09698	1.2
91.04909	1.0
91.05482	13.8
93.07047	11.9
95.04969	3.3
95.08615	7.2
97.06528	3.0
97.10181	0.9
103.05458	1.4
105.07034	21.1
107.04958	1.3
107.08598	12.2
109.06531	14.2
109.10152	3.5
111.08058	2.4
115.05444	1.8
116.06347	0.7
117.07014	10.9
119.04914	1.7
119.08591	18.5
121.06511	2.0
121.09346	0.8
121.10160	11.6
123.08080	3.2
125.09641	0.9
128.06213	3.4
129.07008	9.9
130.07788	2.5
131.08565	15.5
133.06490	8.4
133.10135	12.5
135.08052	8.1
135.11707	1.5
137.09625	1.9
141.07014	2.5
142.07785	5.8
143.08571	16.8
144.09325	2.3
145.06465	1.2
145.10127	20.3
147.04456	4.4
147.08066	5.0
147.11711	8.1
149.09608	5.0
153.01823	8.6
153.07056	1.4
154.07780	1.3
155.08557	9.3
156.09317	8.9
157.10129	22.6
158.10851	2.1
159.08028	3.5
159.11696	9.9
160.03990	1.4
160.08807	1.4
161.09593	5.9
161.13277	1.8
163.11137	1.3
165.07005	3.1
166.07762	1.5
167.08539	5.4
167.10698	2.1
168.09344	2.0
169.10127	14.1
170.10974	3.2
171.08118	0.8
171.11699	23.3
172.12450	1.9
173.09634	12.2
173.13258	6.8
174.10486	1.5
175.11168	7.8
175.14891	0.8
179.08652	1.8
180.09294	1.8
181.10149	6.0
182.10919	6.9
183.11690	8.0
184.08972	1.0
184.12434	1.4
185.09648	2.6
185.13235	7.2
186.14003	1.0
187.11235	2.5
187.14822	2.6
189.12772	11.0
193.10150	2.0
194.10957	1.2
195.11729	7.2
196.12482	4.6
197.09572	1.2
197.13272	25.4
198.10429	0.8
198.14011	3.0
199.11185	12.4
199.14769	0.7
200.12076	1.2
207.11667	2.9
208.12486	1.7
209.13300	3.5
211.14838	11.6
212.12068	1.2
212.15643	8.6
213.12891	4.4
213.16374	17.5
214.13542	2.1
215.14326	5.6
215.18071	0.9
217.12224	2.4
222.14018	3.2
225.12807	2.8
226.13478	1.2
227.14304	8.9
227.17941	2.8
229.15897	7.3
230.16611	1.3
231.13773	0.9
231.17415	2.8
237.16443	6.9
240.15140	3.6
245.19054	1.3
255.17439	41.6
273.07590	7.8
273.18506	100.0
273.21854	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	273.2214
Annotation	androstenone
Peak:m/z	Relative Intensity
53.03942	7.2
55.05518	23.1
57.07073	10.2
59.04982	4.7
67.05515	28.3
69.07080	15.6
71.05006	29.7
75.35949	2.7
79.05497	25.5
81.07059	77.7
83.08630	16.6
85.06541	9.1
91.05487	38.1
93.07049	78.5
95.05011	14.8
95.08611	71.1
97.06535	5.7
97.10171	4.8
105.07036	67.1
105.07701	2.5
107.08601	52.4
109.06528	35.6
109.10150	28.2
111.08075	44.5
113.09659	4.6
117.06997	17.5
119.08585	74.5
121.06502	5.4
121.10154	39.0
123.08080	7.6
123.11727	27.6
125.09620	4.6
128.06216	6.9
129.07001	8.8
130.07808	3.3
131.08583	28.7
133.10132	35.3
135.08023	5.8
135.11694	22.1
137.09613	8.7
137.13301	3.9
142.07785	4.3
143.08614	20.3
144.09378	4.1
145.10130	58.6
145.11174	5.8
147.11674	20.6
149.09625	6.1
149.13268	6.6
152.32954	3.4
157.10139	21.4
159.11690	62.3
161.09630	9.0
161.13293	26.2
163.11174	4.2
163.14810	5.4
171.11697	9.7
173.13277	24.7
175.11098	5.5
175.14833	6.0
185.13283	17.2
187.14851	7.8
189.16418	27.3
197.42706	3.1
199.14789	18.7
201.16376	3.6
203.14351	12.0
203.18004	7.1
213.16382	13.1
213.74310	3.1
215.17953	69.7
217.15900	5.1
228.97885	3.3
229.19458	7.4
233.09119	3.2
255.18207	4.2
255.21123	50.2
273.18549	31.7
273.22137	100.0
274.27399	7.2
292.62592	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
53.03931	1.2
55.05516	11.4
57.07074	7.3
60.35993	1.1
62.63007	0.9
66.91957	1.0
67.05503	20.6
69.07070	29.9
69.18562	8.6
69.81648	1.0
71.08617	3.1
79.05491	12.2
81.07057	65.9
83.04979	1.0
83.08621	12.5
84.50181	0.9
90.34695	0.8
91.05482	9.2
93.07047	30.4
95.08609	66.7
97.10165	8.2
105.07035	20.3
107.08597	43.2
109.10160	51.7
111.11726	5.2
112.97112	0.9
119.08580	21.0
121.10146	45.3
123.11712	38.7
125.01730	0.9
125.13245	1.2
131.08496	1.3
133.10124	14.5
135.11700	29.6
137.13254	13.0
145.10132	1.6
147.11687	14.7
149.12057	2.4
149.13260	48.3
151.14819	7.6
161.13263	28.1
163.14833	23.8
165.16394	1.7
175.14830	13.1
177.16385	16.6
189.16380	19.1
189.17937	1.6
191.17928	10.3
203.17960	18.0
205.19406	1.1
217.19528	27.9
231.21097	3.0
273.25778	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.8
55.05515	4.2
57.07064	3.3
63.61335	1.8
66.53204	2.2
67.05495	9.2
69.07072	4.4
70.06603	2.8
71.53137	2.1
79.05491	6.7
81.03413	4.3
81.07054	7.0
83.08629	2.3
85.04507	2.0
88.07613	2.4
91.05489	10.1
93.07030	7.7
95.04989	4.3
95.08603	6.6
97.02876	4.9
97.06506	3.2
98.55421	2.0
105.07024	8.9
106.08660	2.4
107.04970	15.7
109.02889	39.9
109.10148	2.4
111.04463	4.6
111.08073	8.0
113.05924	2.3
117.07055	2.6
119.08556	6.2
123.04478	4.2
128.06177	2.8
133.06534	2.6
133.10155	13.4
140.26439	2.0
143.08575	4.3
145.06406	2.5
160.12106	2.4
161.09602	16.1
171.08070	9.9
179.10677	5.7
189.09140	19.7
193.12274	3.6
207.10236	11.1
225.11220	100.0
239.12825	6.2
257.13812	4.8
274.18796	11.3
274.22296	4.1
274.27408	25.9
275.19952	4.3
288.11337	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50491	13.4
69.46195	100.0
81.03453	14.1
94.47865	13.7
155.01816	14.7
173.02974	17.6
194.12088	15.0
214.20915	14.6
239.17128	14.1
275.01770	84.7
275.11148	39.1
277.94272	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	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98452	7.5
60.11014	7.2
64.50166	7.1
69.03450	9.1
69.37058	67.6
73.02911	8.2
75.29575	7.3
82.99822	10.3
85.02910	17.1
89.09939	8.5
97.02853	11.6
101.00882	50.2
104.14993	7.8
114.79079	7.5
119.01933	62.8
121.02858	10.3
125.07100	10.6
127.02375	10.8
131.01869	8.4
132.15118	7.9
143.01935	12.8
145.01601	15.7
145.03453	31.6
155.01883	17.9
157.03513	9.6
159.05081	10.4
161.02914	11.4
169.03471	40.4
171.05029	10.6
173.03061	18.3
185.02943	30.3
187.04552	34.4
197.02989	12.3
203.03961	11.8
215.04073	18.1
229.05576	19.3
247.06801	10.1
257.04984	19.4
265.20996	7.3
271.39847	7.6
275.01682	31.3
275.06125	100.0
293.07065	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	275.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93534	25.5
56.96536	23.3
67.05502	31.9
69.03426	26.8
70.06600	45.2
70.33913	70.3
72.08144	64.8
81.03413	24.1
82.74066	20.6
84.08163	35.8
85.02906	56.0
86.06081	25.1
86.09709	63.2
88.06630	19.9
88.07658	28.8
91.05488	23.7
95.05014	24.0
97.06536	20.2
98.97590	44.4
105.07041	28.3
113.05993	30.8
114.09145	24.0
119.01936	40.4
155.01918	20.1
161.03024	22.8
177.00604	37.9
187.04474	25.2
229.05203	27.1
239.12755	23.6
274.24039	20.9
274.27383	98.1
275.04846	100.0
275.10889	32.9
275.16812	30.5
275.20020	65.9
275.27615	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	275.0375
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
52.43685	1.0
55.05513	2.3
55.93519	1.3
56.94291	1.2
56.97141	1.4
57.03419	1.4
63.02110	1.2
64.86239	1.1
67.05499	1.4
69.03433	2.0
70.06592	2.6
70.79492	1.9
72.08160	2.2
72.93777	1.8
74.06080	1.1
77.26555	1.3
79.05523	1.1
81.03408	2.0
81.07041	2.2
81.79414	1.2
84.04533	1.2
84.08151	2.1
85.02905	5.1
86.09726	8.3
87.10030	3.6
90.94831	1.5
95.04963	1.6
95.06084	2.4
97.02853	1.6
97.06569	2.1
99.04496	1.2
101.00907	6.4
103.02448	2.9
105.07066	2.1
111.04453	1.8
111.05557	6.4
113.00938	1.4
113.05943	1.2
115.02479	1.5
117.04010	1.5
119.01917	12.1
123.05555	4.5
125.86741	1.1
127.02395	2.1
131.01949	3.3
133.03500	3.3
137.02995	2.0
141.06566	8.3
142.69598	1.4
143.03169	1.8
144.87849	1.1
145.01694	2.1
145.03488	5.4
155.01907	1.6
157.03465	2.6
157.13512	1.6
158.13753	2.5
159.05052	2.4
159.95789	1.3
161.02992	5.9
169.03522	3.9
171.05089	2.5
173.02985	2.8
173.13199	1.5
175.04533	2.4
183.05040	1.5
185.03008	3.8
185.06596	2.5
187.04536	5.1
189.02495	2.3
191.02332	1.3
203.04041	2.5
203.07782	1.4
215.01720	2.7
215.03963	2.5
221.05156	1.4
222.09708	1.2
227.13927	1.8
229.05438	2.4
239.13997	2.0
257.02750	36.6
257.15002	6.0
271.02844	1.9
274.27478	5.3
275.03711	35.7
275.06174	4.7
275.11053	100.0
275.16141	4.5
275.19827	2.3
275.27689	1.3
293.06979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.99302	1.2
55.01848	1.5
55.05501	4.9
57.07034	1.4
67.05499	2.6
69.03422	2.3
69.07067	12.9
69.22853	1.2
69.59046	1.2
71.04989	3.2
79.05472	3.5
79.22883	1.1
81.07057	6.9
83.08595	3.3
85.06532	4.5
91.05482	6.3
93.07054	10.7
95.04951	3.4
95.08608	7.6
97.06521	1.4
105.07036	9.3
107.04935	1.9
107.08607	10.1
109.06512	2.3
109.10184	5.9
109.10827	1.5
111.08076	25.1
113.09628	4.4
114.99510	1.1
117.06999	2.6
119.08575	10.5
121.06503	4.4
121.10120	7.8
122.07300	4.1
123.08049	14.6
123.11661	2.5
131.08575	10.8
133.10149	6.8
135.08051	25.3
135.11734	2.6
137.09627	3.0
139.11205	3.6
143.08525	1.7
145.10158	7.7
147.11685	6.8
148.08792	2.1
149.09610	3.9
149.13174	1.8
156.09384	3.0
156.94261	1.3
157.10159	4.5
159.11688	10.0
161.09630	2.9
163.11224	3.2
165.12773	3.8
169.10117	1.8
171.11678	15.6
173.13293	6.7
175.11259	1.9
175.14862	1.8
176.11984	5.5
177.12709	1.4
181.12213	18.2
183.11671	1.5
189.12749	2.3
191.14311	100.0
199.14815	7.9
213.16351	1.9
215.17998	3.3
217.15829	8.2
239.17863	2.6
257.18988	11.8
257.26736	1.6
275.20068	61.1
275.27701	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.03894	0.4
53.03946	1.9
55.01870	2.2
55.05513	10.2
57.03425	1.1
57.07058	1.0
61.14671	0.4
65.03963	0.6
67.05508	16.9
69.03442	0.8
69.06735	0.6
69.07072	8.3
69.83124	0.4
70.53426	0.4
70.90929	0.9
71.04976	1.8
73.06519	0.5
77.03909	0.9
79.05496	16.7
81.03421	0.9
81.07059	25.2
83.04977	2.0
83.08623	4.1
85.06529	0.9
90.89935	0.4
91.05482	29.8
93.07047	16.5
93.07638	0.6
95.04968	3.0
95.08611	11.7
97.06540	2.0
97.10164	1.8
99.08061	0.8
103.05457	0.8
105.04504	0.7
105.07035	42.4
107.04958	2.5
107.07878	0.7
107.08599	12.4
109.06532	4.9
109.10148	5.7
111.08061	1.1
115.05429	0.8
117.07027	7.6
117.43181	0.4
118.07796	0.7
119.08584	31.5
121.06503	2.6
121.10146	7.1
123.08081	2.5
123.11715	2.1
125.09598	1.2
127.07561	0.4
128.06161	0.5
128.89024	0.4
129.07019	1.9
130.07774	0.8
131.08565	11.4
132.09366	0.6
133.06511	0.7
133.10138	31.0
135.08060	4.1
135.11696	3.2
137.09605	2.8
141.07022	0.9
142.07799	0.5
143.08505	2.0
145.09270	0.4
145.10129	11.6
146.11005	0.5
147.08006	1.1
147.11690	14.3
149.09621	5.8
149.13248	1.3
151.11194	2.0
155.08580	1.4
157.10133	2.4
159.11699	7.7
161.09605	1.4
161.13266	5.3
163.11177	3.2
163.14861	0.7
165.09114	1.2
165.12724	1.1
169.10135	1.8
171.11694	1.6
173.09598	0.7
173.13283	3.8
175.11163	1.5
175.14832	0.9
177.12804	0.6
183.11696	1.7
185.13246	1.3
187.11188	0.9
187.14830	1.4
189.12756	0.8
191.14259	0.5
193.12245	0.6
197.13225	1.5
199.14772	0.4
201.12737	0.4
201.16212	0.4
203.14230	0.6
205.12302	0.5
209.15253	0.5
211.14854	0.5
213.16434	0.8
215.14339	0.7
215.17946	0.9
217.15977	0.5
219.13765	0.5
219.17314	0.5
229.19479	2.5
233.15350	1.2
233.19034	0.8
239.17938	4.3
247.20593	3.2
257.19003	9.0
275.20068	100.0
276.20331	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03951	1.3
55.01881	1.9
55.05513	9.9
57.03426	3.0
57.07078	2.7
65.03918	1.1
67.05508	17.8
69.03429	1.4
69.07078	8.6
69.81741	3.9
70.06591	3.2
71.04984	3.0
79.05499	18.1
81.07063	26.5
83.04974	2.8
83.08612	4.0
85.06571	2.8
88.07647	5.3
89.07938	1.1
91.05489	26.4
93.07053	19.0
95.04985	3.2
95.08611	11.1
97.06554	2.5
97.10189	1.7
98.20803	1.0
105.07040	40.9
106.08668	2.2
107.04971	4.8
107.08591	14.4
109.06522	5.8
109.10149	4.8
111.08103	3.8
117.07024	8.1
117.94254	0.9
119.08596	30.6
121.06521	2.5
121.10156	8.6
123.08087	3.7
123.11723	1.9
129.07036	3.0
131.08583	13.1
133.10144	29.9
135.08038	6.6
135.11690	5.3
137.09619	3.2
141.07053	1.0
143.08601	4.3
145.10138	12.6
147.11697	15.5
149.09628	6.4
149.13222	2.0
149.73112	1.0
151.11230	1.3
155.08551	1.9
157.10136	5.3
158.10959	1.9
159.11707	11.3
161.09628	2.8
161.13304	5.1
163.11201	3.2
169.10182	1.6
171.11723	4.1
173.09602	1.6
173.13242	11.5
175.11217	1.7
175.14787	1.8
177.12830	3.2
183.11711	2.9
185.13275	3.1
187.11102	1.5
187.14905	2.2
191.14333	1.6
193.12282	1.2
197.13246	3.0
199.14874	3.3
201.12738	2.8
203.14355	2.3
213.16289	2.0
215.14409	1.2
215.18010	1.6
217.15567	0.9
229.19571	3.3
239.17958	7.3
247.20596	2.2
257.19067	11.4
257.26801	1.7
269.59689	1.0
275.20093	100.0
275.27786	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.9
53.94239	0.8
55.01862	2.8
55.05513	17.6
57.03440	1.7
57.07067	2.7
62.10557	0.8
65.03941	1.1
67.05511	20.6
69.03422	1.8
69.07074	26.1
69.17257	1.8
69.17665	5.6
70.87928	0.7
71.04995	2.3
73.06546	2.6
77.03933	1.0
79.05494	25.2
81.06590	1.6
81.07062	24.6
83.04971	2.9
83.08631	6.4
85.06543	1.2
91.05485	35.7
93.07048	29.4
95.04996	4.4
95.08613	20.9
97.06525	4.6
97.10161	3.4
98.20789	1.7
103.05467	1.1
105.04540	0.9
105.07037	42.8
107.04970	9.6
107.08601	23.0
109.06524	7.7
109.10178	7.4
111.08076	2.0
115.05453	1.2
115.36139	0.8
117.07029	12.8
119.08589	31.5
121.06516	9.4
121.10148	11.8
123.08084	3.7
123.11680	1.6
125.09632	1.6
128.06165	1.4
129.07030	3.3
130.07771	1.1
131.08575	20.6
133.06502	1.7
133.10138	27.1
135.08073	4.9
135.11699	6.1
137.09605	1.4
139.11139	0.8
141.06996	2.6
143.08556	4.2
145.06403	1.9
145.10126	19.7
146.10820	0.8
147.08092	2.1
147.10527	1.3
147.11694	23.6
149.09604	6.9
149.13255	3.2
151.11174	1.9
155.08580	3.2
157.10178	4.6
159.08052	1.1
159.11702	13.9
161.09648	3.8
161.13255	8.2
163.11201	8.7
165.12831	1.3
169.10127	3.5
171.11754	4.5
173.09631	2.6
173.13278	6.9
175.11217	3.0
175.14824	1.7
177.12714	3.8
179.10774	2.4
179.14296	1.3
183.11729	3.7
185.13297	2.1
185.36011	0.9
187.11186	2.6
187.14845	2.6
189.12781	1.9
191.14328	2.9
197.13286	3.5
201.12718	1.6
205.15855	1.3
207.13861	2.2
211.14873	1.6
215.14389	1.8
215.17990	1.1
219.13745	1.3
229.19513	11.1
239.17921	7.3
247.20601	9.3
257.19022	46.8
275.20074	100.0
275.27765	5.3
276.20355	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03941	1.5
55.01872	3.6
55.05515	20.2
57.03426	1.8
57.07049	1.4
59.04995	0.5
61.72274	0.5
65.03937	0.8
67.05509	25.0
69.03419	0.7
69.07076	6.7
69.81332	0.5
70.32684	0.5
70.70622	1.2
70.71004	0.8
71.04993	2.4
71.43119	0.6
73.06531	0.5
77.03919	0.6
79.05499	36.1
81.06597	1.0
81.07062	18.6
83.04994	2.6
83.08627	4.7
85.06548	1.0
91.05489	28.8
93.07050	20.9
93.07642	0.9
95.04961	2.1
95.08614	9.3
97.06524	2.2
97.10172	4.5
103.05447	1.0
105.07037	37.1
106.85217	0.5
107.04966	24.2
107.08599	25.2
109.06520	1.5
109.10162	14.5
111.08092	1.3
115.05443	0.8
116.06252	0.7
117.07021	10.0
119.06085	0.5
119.08587	24.5
121.06509	2.2
121.10149	10.6
123.08073	1.7
123.11707	2.8
125.09640	5.2
129.07018	2.0
131.08578	9.9
133.10143	23.7
135.08058	5.5
135.11739	2.6
137.09598	1.7
139.38556	0.7
141.07031	0.9
143.08569	1.5
145.10141	10.5
147.08029	0.7
147.11700	17.2
148.11642	0.5
149.09628	46.6
149.13228	1.3
150.52087	0.5
151.11180	0.6
153.09125	1.6
155.10681	1.9
157.10107	1.9
159.11691	7.5
161.09666	0.7
161.13254	4.7
163.11188	2.0
165.09096	0.7
167.10687	1.2
169.10112	1.5
169.12230	2.8
171.10291	0.5
171.11720	1.6
173.11729	2.2
173.13272	4.4
175.11188	1.2
175.14825	0.8
177.12755	1.3
179.10620	0.6
183.11711	1.2
185.13205	0.9
187.11189	2.0
187.13258	1.3
187.14789	1.2
191.14337	0.7
193.12305	0.6
194.25177	0.5
197.13301	1.6
201.12741	0.6
213.16309	0.8
215.17949	2.1
219.13734	0.9
229.19542	7.6
233.15416	1.6
233.18994	0.6
239.17929	3.5
246.23686	0.5
247.20480	2.5
257.19025	16.5
275.20074	100.0
276.20432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.0
55.01877	8.1
55.05518	18.8
57.03424	2.5
57.07069	0.7
65.03934	1.4
67.05511	24.3
69.03428	1.2
69.07072	9.8
69.15796	6.4
71.04991	1.7
79.05499	28.9
81.03410	2.1
81.06594	1.4
81.07066	25.4
81.19747	0.7
83.04976	2.8
83.08620	5.5
85.02872	0.7
85.06543	1.0
91.05490	39.5
93.06490	1.2
93.07055	20.5
95.01349	1.0
95.04962	2.7
95.08614	13.2
97.06548	7.9
97.10162	3.2
98.21525	1.5
103.05453	1.9
105.07041	57.9
107.04972	14.4
107.08604	19.3
109.06544	3.3
109.10165	10.2
111.08096	1.0
115.05464	1.2
117.06250	0.8
117.07034	12.0
119.08590	31.1
121.06500	3.5
121.10168	6.8
123.08071	2.4
123.11733	2.5
125.09637	2.4
129.06989	1.5
131.08582	15.0
133.10139	34.7
135.08047	4.4
135.11697	2.3
137.09642	1.3
141.06978	0.9
142.07718	0.7
143.08607	1.7
145.10147	12.6
147.08041	0.8
147.10527	0.9
147.11696	18.2
149.08408	1.3
149.09634	25.3
149.13184	0.8
151.11203	1.0
155.08612	1.4
156.81093	0.7
157.10138	2.6
159.11711	9.2
161.13316	5.0
163.11186	3.0
165.09091	0.9
165.12766	1.0
169.10146	1.1
169.12215	0.9
171.11699	2.6
173.11751	2.5
173.13275	5.3
177.12788	1.2
179.10675	0.7
179.14372	1.6
183.11740	1.8
185.13313	1.0
187.11162	1.8
187.14842	0.8
190.99902	0.6
191.10669	0.6
195.13693	0.7
197.13283	2.1
203.14326	0.6
205.12123	1.1
211.14827	0.7
213.16327	0.8
215.18004	1.2
219.13843	1.0
219.17389	3.2
229.19524	4.1
233.15425	0.8
239.17955	3.1
247.20622	1.8
257.19058	12.0
257.21674	1.3
275.20084	100.0
275.27841	3.3
276.20514	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03942	2.0
54.15587	0.5
55.01857	2.2
55.05516	10.8
57.03423	1.5
57.07093	0.6
65.03932	1.0
67.05509	16.5
69.03429	1.1
69.07070	7.6
70.76421	1.5
71.04993	1.3
74.59301	0.5
79.05495	19.8
81.06595	1.2
81.07059	20.1
83.04982	2.2
83.08624	4.3
85.06542	1.4
91.05489	32.2
93.07050	19.9
95.04965	2.9
95.08614	12.9
97.06528	3.3
97.10175	2.2
99.08036	0.5
101.06018	0.6
103.05450	0.8
105.07037	45.2
107.04967	2.9
107.08606	14.0
109.06507	3.7
109.10168	6.2
111.08073	1.7
113.06005	0.6
115.05435	0.9
117.07018	9.3
119.08590	30.2
121.06499	3.9
121.10151	7.2
123.08067	2.1
123.11693	1.5
125.09647	1.1
129.07021	2.5
131.08566	12.3
133.06424	1.1
133.10138	31.6
135.08072	4.5
135.11679	3.4
137.09671	2.8
139.11124	0.6
141.06996	1.1
143.08577	2.1
145.10129	11.4
147.08023	1.1
147.11700	17.1
149.09631	5.3
149.13289	1.4
151.11189	2.6
155.08504	1.3
157.10139	2.4
159.08118	0.6
159.11697	8.4
161.09666	1.0
161.13266	4.4
163.11183	5.5
165.12799	1.4
169.10159	1.9
171.11670	2.4
173.13281	5.3
175.11159	1.3
175.14807	1.4
177.12740	2.1
179.14265	1.2
183.11678	2.6
184.26326	0.6
185.13133	0.7
187.11223	1.2
187.14841	1.5
189.12756	0.8
191.14381	1.1
197.13295	2.6
201.12854	0.7
205.90544	0.6
211.14864	1.2
213.16306	0.6
215.14278	1.1
215.17975	1.4
229.16118	0.8
229.19492	3.6
233.15405	1.0
233.18987	0.5
239.18005	5.9
247.20561	3.3
257.18979	10.1
275.20078	100.0
276.20407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0322
Annotation	selenoneine
Peak:m/z	Relative Intensity
60.93257	8.5
101.00893	38.4
119.01933	30.5
131.07553	9.1
133.03519	15.6
143.01903	21.1
161.02977	46.1
173.02954	12.6
185.03038	10.6
217.01967	12.1
224.42201	9.7
245.05144	16.2
277.03415	100.0
277.07248	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	277.107
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
53.03942	2.5
55.01860	4.6
55.05507	3.1
57.03429	1.7
65.03925	3.5
67.05505	33.8
69.03407	2.6
69.07069	9.9
69.70411	3.6
69.70821	8.5
73.50926	2.1
77.70615	1.8
79.05508	9.6
81.07042	5.1
89.03911	4.6
91.05479	9.8
93.07042	4.9
95.04968	99.3
95.08585	3.2
97.06532	55.0
100.11207	1.9
105.03413	2.8
105.07021	4.2
107.04987	2.9
107.08626	2.3
109.02886	2.2
115.05447	7.4
117.03365	3.5
117.06971	3.4
119.08578	4.7
121.10152	2.5
121.35542	1.7
123.04393	8.2
128.06305	3.3
129.06995	3.3
131.04910	2.8
131.08521	3.7
132.05602	2.3
133.02824	2.2
133.06485	8.1
133.10168	2.4
135.04433	9.7
139.03922	2.3
141.06969	6.1
143.04927	2.5
143.08540	6.2
145.02881	5.1
145.06454	2.0
147.04398	5.7
149.02316	3.1
149.05922	2.0
152.06203	2.6
157.06459	3.7
157.10104	2.6
159.04399	3.1
159.08040	2.1
160.05196	33.2
161.02333	8.3
161.05977	76.0
163.03912	31.7
163.07564	3.0
163.69838	1.8
165.05492	11.0
167.08549	8.2
167.64734	1.7
168.86465	1.9
169.06483	4.9
171.08072	5.6
173.02379	14.2
173.05952	7.2
174.06801	3.7
175.03879	3.1
175.07503	4.0
176.68532	1.7
181.06381	2.4
185.05925	3.7
185.09642	4.8
187.07498	7.0
189.05464	2.3
189.07404	4.0
189.09114	79.2
191.03374	6.0
191.06999	3.0
195.08047	12.7
197.05949	3.9
199.07484	3.0
201.09058	2.6
202.06168	2.1
203.10703	3.8
209.04427	9.3
213.09131	20.3
215.07021	52.1
215.10339	2.5
217.04948	1.9
217.08609	15.2
223.07492	2.3
231.10136	12.0
233.08104	30.7
234.08185	1.9
235.09581	4.7
241.08559	4.7
259.09668	100.0
277.10693	21.8
277.14075	2.8
277.18027	3.0
277.21536	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1072
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
53.00316	1.0
53.03942	2.1
54.58232	0.8
55.01871	5.5
55.05511	7.8
57.03428	3.1
57.07068	1.9
67.05506	13.2
68.78346	0.8
69.03420	2.9
69.07076	21.7
71.04999	1.2
71.08614	1.8
76.90384	0.7
79.05495	25.1
80.51888	0.9
81.03409	2.1
81.07057	12.3
83.04974	2.1
83.08611	3.2
85.06517	2.4
85.88593	0.9
89.03914	4.3
90.96002	0.7
90.96632	1.0
91.05475	9.0
93.07046	17.1
95.04967	4.5
95.08610	9.8
97.06533	100.0
97.10184	1.1
99.08090	3.7
105.03442	1.1
105.07024	6.1
107.04943	4.0
107.08581	10.6
109.06532	1.9
109.10152	5.3
111.04445	1.3
117.03396	7.9
117.07011	1.4
119.08577	5.4
121.02825	1.7
121.06573	1.0
121.10130	8.7
123.08075	1.8
123.11691	2.5
125.09612	1.0
129.07056	1.2
131.08540	1.3
133.02863	4.2
133.06519	0.9
133.10103	3.9
134.03621	3.8
135.04420	15.0
135.08037	0.9
135.11711	6.9
137.06020	1.0
137.09627	1.3
137.13313	1.0
139.03960	1.5
139.11189	1.3
145.02849	8.0
145.10109	2.0
147.04417	2.5
147.08057	0.9
147.11671	2.9
149.02371	6.9
149.09615	0.9
149.13223	3.3
151.03914	1.9
151.11177	2.9
157.10147	1.4
159.04428	3.8
159.11726	1.1
161.02348	12.7
161.05919	1.6
161.09622	1.1
161.13263	2.9
163.03911	71.3
163.11153	1.5
163.14799	1.9
173.02362	20.0
175.11156	0.9
175.14836	1.6
177.05463	1.6
179.03413	3.1
179.14360	0.9
183.70285	0.8
185.06010	1.8
185.13196	1.2
187.03871	1.1
187.07521	1.5
189.12801	0.9
191.03394	32.3
191.07043	2.6
195.13600	1.1
203.07089	1.6
204.04185	1.6
213.09181	1.0
215.07031	32.5
217.04973	4.4
231.10173	4.6
233.08087	17.7
235.09653	3.7
241.08661	2.1
241.19444	2.0
259.09665	79.5
259.20505	4.0
260.09866	1.0
277.10696	3.5
277.14859	1.2
277.18405	2.5
277.21625	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1072
Annotation	CHEBI:69071
Peak:m/z	Relative Intensity
50.30742	0.7
53.03939	2.1
55.01873	5.3
55.05515	6.4
56.31577	0.7
56.96553	2.3
57.03426	2.0
57.07077	1.5
65.03915	1.2
67.05502	11.0
67.32070	0.7
69.03428	1.7
69.06689	1.0
69.07069	23.3
69.24994	3.3
69.25426	3.3
71.04989	2.5
79.05495	24.2
81.03426	1.3
81.07056	17.7
83.04977	1.6
83.08608	2.2
89.03899	4.2
91.05482	8.0
93.07052	15.9
95.04964	2.3
95.08616	7.6
97.06532	89.6
98.20793	1.3
105.03391	1.1
105.07028	4.4
107.04961	4.3
107.08591	7.4
109.06510	5.0
109.10201	4.1
111.04459	3.9
111.08068	0.9
115.05434	1.1
117.03391	8.3
117.07035	1.9
119.04981	1.0
119.08587	4.9
121.02877	1.0
121.10136	6.0
121.72123	0.7
123.04424	1.1
123.08064	0.9
123.11723	2.4
125.09614	1.2
128.06230	1.1
129.07033	1.6
131.08549	2.5
133.02838	3.2
133.10141	3.4
134.03667	4.0
135.04408	12.8
135.11697	5.3
137.05983	19.3
137.09608	1.0
139.03871	1.8
139.07603	0.8
145.02852	11.5
145.10081	1.7
147.04419	1.4
147.11693	3.4
149.02344	1.4
149.09613	1.8
149.13245	3.9
151.03920	1.4
151.11194	1.0
157.10143	1.9
159.04378	2.7
159.11705	1.1
161.02335	6.4
161.09592	2.0
161.13214	1.4
163.03908	66.0
163.11151	1.5
163.14798	0.9
165.07043	0.8
165.09212	0.8
169.09993	0.8
173.02345	11.6
175.14854	1.0
177.05470	1.5
177.12735	1.3
179.03386	3.0
180.04208	0.8
185.06004	2.5
185.13301	1.3
187.03976	1.1
187.07521	1.1
187.14778	0.9
189.09048	1.0
191.03394	30.3
191.07059	1.4
195.08110	1.3
197.06027	1.1
203.14368	0.9
203.17989	1.1
213.07825	1.9
213.16360	0.9
215.07027	20.7
217.02959	0.9
217.04968	17.1
221.28328	0.8
230.05635	0.9
231.08952	2.2
231.10120	2.5
231.17407	2.1
233.08060	12.6
235.09695	1.3
235.16920	1.6
241.08556	4.5
249.18544	1.0
259.09662	100.0
259.20560	1.4
259.24081	1.1
277.10815	2.1
277.14044	0.8
277.18048	5.0
277.21561	19.2
277.24863	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03944	3.2
55.01628	0.9
55.01873	11.5
55.05511	18.9
57.03423	2.0
57.07073	4.4
65.03928	2.0
67.05506	34.6
69.03425	1.2
69.07066	15.0
71.03403	1.5
71.04985	2.6
71.08631	14.0
76.59104	0.7
77.03913	0.7
79.05494	37.6
81.03432	3.8
81.07055	33.3
83.04974	4.4
83.08619	9.1
85.06531	2.0
85.10168	1.1
89.50763	0.6
91.05482	23.2
93.07046	52.7
95.04971	7.1
95.08607	24.0
97.06530	25.0
97.07153	1.2
97.10170	3.0
99.08088	12.2
103.05514	0.7
105.07036	16.4
107.04951	4.3
107.08595	25.7
109.06548	3.8
109.09461	1.1
109.10156	11.0
111.04428	0.8
111.08088	7.7
113.09637	2.0
115.05410	0.7
117.03433	0.8
117.07005	4.4
119.08579	12.6
121.06498	2.3
121.10139	16.1
123.08056	3.9
123.11721	3.2
125.09609	2.2
127.11170	1.1
129.06992	2.9
130.18660	0.7
131.08577	5.0
133.02899	1.0
133.06508	0.8
133.10136	12.0
135.04408	1.9
135.08070	2.4
135.10689	1.2
135.11688	16.0
137.09596	2.3
137.13249	1.5
139.11166	2.1
141.12732	2.6
143.08568	2.9
145.02829	0.8
145.10129	6.4
147.08035	1.1
147.11700	9.9
149.02322	2.9
149.09604	2.4
149.13268	12.3
151.11189	10.0
153.12727	2.1
157.10144	3.3
159.11681	2.8
161.02312	2.4
161.09584	2.1
161.13269	7.5
163.03915	8.3
163.11176	12.6
163.14830	3.4
165.12761	6.1
169.12193	0.8
171.11671	4.2
173.02348	4.5
173.13263	1.9
175.11203	2.2
175.14769	3.0
177.12737	1.6
179.10643	0.7
179.14342	4.7
181.12212	1.4
185.13243	3.5
189.12747	1.5
191.03410	6.3
193.12172	1.7
193.15948	0.9
195.13838	1.0
199.14812	1.4
203.14342	1.2
207.13782	2.8
215.07057	7.3
217.19518	2.8
218.72742	0.6
221.15279	3.6
231.10110	1.9
231.21065	2.0
232.77551	0.7
233.08090	2.6
235.09665	1.3
235.17014	1.8
241.19510	6.7
249.22206	3.5
259.09647	11.0
259.20566	12.2
277.21625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.92446	0.6
51.02370	1.0
53.03952	3.5
53.74409	0.7
55.01875	4.1
55.05513	18.9
57.03449	1.1
57.07067	1.9
65.03945	1.2
67.05507	28.7
69.03436	0.8
69.07070	18.4
70.77503	1.4
70.77824	0.7
71.05000	3.4
71.08628	0.9
77.03880	0.7
79.05498	45.2
81.03408	1.9
81.07063	30.5
83.04967	2.6
83.08617	10.8
85.06531	2.0
91.05482	21.3
93.07048	70.2
94.01617	0.6
95.04996	4.6
95.08611	26.7
97.06539	6.0
97.10165	3.9
105.04531	1.5
105.07035	15.0
107.08599	36.8
109.06535	3.9
109.10164	11.4
111.08083	2.7
117.07029	3.1
119.08583	11.4
121.10149	36.5
121.11047	1.2
123.08060	2.9
123.11710	2.7
125.09637	1.9
129.06998	2.0
131.08591	4.1
133.10121	10.5
135.08099	1.6
135.11694	34.3
137.09653	1.3
139.11150	0.8
143.08536	1.7
145.10136	4.4
147.11682	9.7
149.09686	1.1
149.12086	0.9
149.13271	15.1
151.11221	1.6
157.10147	1.2
159.11684	4.3
161.09569	1.3
161.13257	5.9
163.11198	1.3
163.14841	4.6
165.12759	2.7
171.11720	3.6
173.13264	3.0
175.11200	1.5
175.14868	2.1
177.12776	1.1
179.14345	0.8
181.12233	1.5
185.13249	2.7
186.34973	0.7
189.12802	1.1
193.12228	0.8
195.13789	2.0
199.14760	1.7
203.14388	1.9
207.13818	1.9
213.16382	1.7
217.15964	1.0
221.15359	1.9
231.17496	0.9
231.21164	1.6
235.16997	2.2
241.19548	3.5
249.22121	1.4
259.09683	0.8
259.20605	11.7
277.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
53.03950	5.9
55.01870	1.5
55.05514	17.1
57.07064	3.1
61.67274	1.1
63.07096	1.0
65.03947	1.7
67.05508	31.8
69.06736	1.5
69.07076	17.1
69.29663	6.6
71.04981	2.4
73.64080	1.0
77.03900	1.6
79.05498	71.3
81.06593	2.2
81.07059	33.5
83.04955	1.5
83.08620	7.0
85.06509	1.5
91.05485	23.6
93.07051	100.0
95.04961	4.1
95.08613	22.6
97.06499	2.0
97.10155	4.1
99.08144	1.0
105.04523	1.5
105.07040	13.1
107.07878	2.3
107.08603	43.7
109.06543	1.0
109.10168	13.8
114.41212	1.1
117.07005	3.1
119.08582	9.0
119.92166	1.3
121.10154	40.3
123.11688	2.0
129.06999	2.4
131.08592	3.7
133.10152	12.6
135.08011	1.3
135.11699	60.0
137.13184	1.4
143.08517	1.3
145.10127	3.1
147.11681	7.2
148.61551	1.1
149.09642	1.4
149.13278	21.9
151.11288	1.3
157.10184	2.0
159.11674	3.5
161.13237	4.0
163.11195	1.3
163.14844	7.6
171.11703	2.5
173.13303	1.3
174.09140	1.1
175.11273	1.4
175.14836	2.1
181.12195	1.9
185.13307	1.4
189.12738	1.2
195.13791	1.8
199.14799	1.9
203.14308	1.2
213.16513	1.2
221.15431	4.2
231.17393	1.5
235.16982	3.8
241.19510	1.8
259.20514	4.3
267.86951	1.0
277.21634	76.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	Stearidonate
Peak:m/z	Relative Intensity
52.01515	1.0
53.03946	6.2
55.05270	1.7
55.05516	17.9
57.07076	2.3
65.03947	1.0
67.05510	31.3
69.07071	14.5
69.29814	9.0
71.04986	2.0
77.03919	2.2
79.05498	76.0
81.07059	34.1
83.04989	1.6
83.08631	6.5
85.06516	1.5
85.66727	0.9
91.05489	27.7
93.07048	100.0
95.04964	3.4
95.08617	23.2
95.72121	1.0
97.06505	1.4
97.10165	3.8
105.04523	1.9
105.07034	13.9
107.08603	48.7
109.10169	11.9
117.07021	3.1
119.08589	10.3
119.09434	1.3
121.10150	37.4
123.08076	1.1
123.11719	2.5
125.09560	1.3
127.07546	1.1
129.07068	1.6
131.08565	4.5
133.10143	11.0
135.08043	1.2
135.11697	45.2
135.12727	2.5
143.08556	1.7
145.10144	2.7
147.11703	7.6
149.09666	1.2
149.13271	20.1
159.11702	3.8
161.13264	4.2
163.14827	5.9
171.11693	2.8
173.13315	2.6
174.26790	1.0
175.11192	1.2
175.14928	1.7
181.12318	1.1
185.13281	2.4
185.14836	1.5
189.12848	1.4
195.13832	1.8
221.15437	2.3
231.21220	1.1
235.16940	4.0
241.19418	1.4
259.20651	3.4
261.83307	1.2
277.21649	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03934	4.5
55.01828	1.1
55.05278	1.5
55.05515	17.7
57.07072	4.1
64.93965	0.9
65.03931	1.8
67.05507	31.1
67.67605	1.0
69.07072	16.5
69.45702	2.8
69.46111	4.0
71.04982	1.6
73.06572	1.0
77.03938	1.5
79.05499	69.8
81.07063	33.9
81.62100	1.0
83.04981	2.1
83.08623	8.2
85.06541	1.8
89.68700	1.0
91.05483	26.5
93.07049	100.0
95.04957	3.6
95.08614	26.3
97.06522	2.4
97.10158	4.5
98.20757	1.9
105.04487	1.2
105.07032	13.3
107.08599	47.7
109.06535	1.4
109.10150	12.2
117.07018	2.9
119.08575	10.3
121.10152	44.2
123.08093	1.2
123.11677	3.7
129.07022	1.8
131.08603	3.6
133.10129	10.4
135.08083	1.8
135.11697	47.1
137.96179	1.1
143.08585	2.2
145.10112	1.9
147.11670	8.4
149.09679	1.6
149.13264	21.2
149.80994	1.0
153.70169	1.1
159.11684	2.9
161.13271	5.3
163.14832	5.5
171.11702	2.2
173.13280	2.0
175.11147	2.1
175.14864	3.2
177.12718	1.2
178.29301	1.0
181.12154	1.0
185.13277	2.8
186.78384	1.0
195.13841	1.7
196.65933	1.1
199.14857	1.2
207.13905	1.5
213.16368	1.3
221.15419	3.2
235.16962	4.1
241.19528	2.4
259.20563	3.4
277.21643	84.1
286.28937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2163
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.02379	0.6
53.03946	3.3
55.01871	3.7
55.05513	18.3
55.58316	0.5
57.03436	1.9
57.07075	3.7
59.04990	0.6
59.25972	0.5
65.03938	1.9
67.05506	39.9
69.03420	1.0
69.07070	16.3
71.04996	2.7
71.08632	30.0
73.06554	0.6
77.03923	1.5
79.05492	61.6
81.03420	6.0
81.07056	50.1
83.04974	6.1
83.08619	8.0
85.06538	2.8
91.04901	1.3
91.05482	29.9
93.07044	92.7
94.07378	0.8
95.04964	10.0
95.08607	35.0
97.06523	5.4
97.10164	3.9
99.08095	20.1
101.06018	0.7
105.04507	2.2
105.07025	18.7
107.04946	5.1
107.08595	48.0
109.06518	3.6
109.10153	10.5
111.08091	1.7
113.09658	1.4
117.07019	3.7
117.91843	0.5
119.08582	13.3
121.06505	1.7
121.10144	44.3
123.08046	2.1
123.11672	3.0
125.09594	1.2
128.06262	0.6
129.06996	1.8
131.08572	5.4
133.06525	1.0
133.10130	9.3
135.08034	1.5
135.11691	51.9
137.09644	3.9
137.13245	0.8
141.09119	2.6
143.08569	3.2
143.71449	0.6
145.10092	3.8
147.08156	0.6
147.11691	5.9
149.09628	1.4
149.13260	16.5
151.11186	11.0
153.12729	0.8
157.10146	2.4
159.11716	4.0
161.09641	0.9
161.13261	8.9
161.14601	0.7
163.11185	4.0
163.14812	3.9
165.05093	0.5
165.12753	1.1
167.10666	3.4
171.11674	1.9
173.13200	1.8
175.11182	0.7
175.14848	2.9
177.12759	2.4
177.16353	1.0
179.14308	42.5
181.12231	1.4
185.13202	2.6
189.12726	2.9
189.16418	0.7
195.13824	2.4
199.14771	1.5
203.14268	1.1
207.13823	1.7
209.15332	0.7
213.16328	1.1
217.15891	1.0
221.15424	4.3
231.17372	1.1
231.21167	0.8
235.16875	4.5
241.19572	2.4
259.20544	6.6
277.21622	100.0
284.16553	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	3.9
55.01858	2.4
55.05513	13.6
56.89655	0.5
56.94987	0.5
57.03425	1.1
57.06830	0.6
57.07078	7.3
59.04996	0.9
62.48607	0.4
65.03935	1.3
65.58925	0.5
65.89850	0.4
67.05508	34.4
67.90166	0.5
69.03412	2.2
69.07072	13.4
69.82035	2.3
69.82457	1.2
71.04999	3.4
71.05312	0.5
71.08633	4.1
73.06551	0.7
79.05495	34.4
81.03425	12.6
81.07059	34.4
83.04995	3.5
83.08627	4.0
85.06548	5.0
87.04476	0.5
91.05486	15.2
93.07047	48.1
95.04974	34.8
95.08614	21.8
95.09207	0.5
97.06550	4.9
97.10146	3.6
99.08115	2.9
105.07034	14.1
107.04971	1.2
107.08599	20.3
109.06524	5.0
109.10165	12.8
111.08082	0.9
111.11726	0.9
117.07009	3.8
119.08584	12.2
121.06519	2.1
121.10150	18.1
123.08067	3.0
123.11702	7.3
125.09613	1.5
127.07555	0.8
128.06172	0.7
129.06966	1.5
131.07721	0.7
131.08601	4.7
133.06628	0.5
133.10132	12.4
135.08040	2.2
135.11705	15.9
137.09634	7.5
137.13229	2.0
139.11179	0.9
143.08549	2.4
145.10107	3.6
147.08035	1.1
147.11697	8.0
149.09621	1.8
149.13277	8.8
151.11191	18.4
153.09145	0.8
153.50922	0.5
157.10170	2.4
159.11716	3.9
161.09621	1.9
161.13245	4.8
163.11147	2.5
163.14816	2.3
165.09062	1.1
165.12738	1.4
167.10712	1.2
171.11644	2.4
173.13251	2.5
175.11206	2.0
175.14804	3.8
177.12755	1.0
179.10606	1.5
179.14339	1.0
185.13307	3.2
187.13327	0.6
189.12785	1.5
191.03400	0.7
191.14342	1.4
193.12230	0.8
193.15915	3.0
199.14804	1.4
203.14253	1.4
207.13861	1.8
215.07014	0.7
215.61507	0.6
217.15981	0.8
221.15372	8.0
231.21068	9.0
235.13268	0.5
235.16957	1.8
241.19492	4.7
249.22021	2.4
257.13141	0.5
259.09702	0.6
259.20596	16.4
277.21637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
51.02385	1.6
51.82594	1.3
53.03942	3.7
53.68642	1.3
55.01860	5.6
55.05273	1.7
55.05513	22.6
57.03438	2.2
57.06799	1.7
57.07077	33.9
58.56884	1.3
59.69888	1.1
65.03945	1.3
67.05505	33.9
69.06730	2.1
69.07069	25.5
69.44388	9.7
70.55106	1.2
71.04974	3.0
71.35421	1.3
78.20321	1.3
78.97670	1.1
79.05498	56.3
81.03442	1.7
81.06593	2.3
81.07058	40.3
83.04980	4.1
83.08619	15.5
85.06540	2.7
91.05485	29.4
93.07047	72.1
95.04980	6.7
95.08612	31.2
97.06548	8.5
97.10160	3.9
98.21583	2.4
99.08094	2.2
105.04560	1.4
105.07044	17.6
107.08598	44.3
109.06512	5.0
109.10168	11.5
111.08077	3.1
117.06973	3.8
119.08581	17.1
121.06504	1.8
121.10154	42.8
123.04422	1.3
123.08057	3.2
123.11707	3.7
125.09643	2.8
125.38545	1.3
129.07050	2.0
131.08551	5.3
133.10123	13.5
135.11696	37.2
137.09584	1.4
138.31967	1.4
143.08627	1.6
145.10104	4.5
147.11688	10.4
149.13268	19.2
151.11145	2.9
157.10162	2.6
159.11667	6.2
161.09558	2.0
161.13264	7.0
163.11188	2.6
163.14804	4.3
165.12798	3.8
171.11699	3.1
173.13214	3.6
175.14917	2.0
177.12740	2.5
179.10692	18.8
179.14255	1.7
185.13339	2.5
189.12726	2.7
193.12173	1.6
199.14870	2.0
203.14261	1.5
207.13889	3.3
217.15814	1.7
219.13782	3.0
221.15369	1.9
228.16507	1.4
235.16936	76.9
241.19580	5.0
249.22171	2.1
259.20557	8.2
277.17996	77.7
277.21606	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.8
56.05018	4.2
57.07063	6.5
58.06590	5.1
60.04510	2.1
67.05505	4.9
69.07050	4.8
70.55087	3.3
70.55468	2.6
71.04968	4.8
74.06066	4.3
74.72353	1.6
79.05480	6.1
81.03400	3.4
81.07047	4.8
83.04966	2.4
84.04469	1.9
86.06044	4.1
88.07164	2.5
88.07645	24.6
91.05458	5.5
93.07043	2.5
95.04932	3.0
95.08675	1.6
97.06511	7.5
97.97211	1.8
98.06853	2.1
98.97585	2.4
104.07077	2.2
105.07043	2.4
107.08554	3.5
108.11238	1.7
114.55771	1.8
119.08569	2.5
121.10170	2.7
124.72765	1.8
129.07039	3.9
131.08569	4.7
132.10211	7.5
133.10077	4.6
147.11707	4.8
149.02356	8.0
149.09616	4.9
157.10110	2.4
160.68022	1.8
164.04193	2.0
165.12761	2.0
166.10710	3.0
167.10724	1.8
167.58936	1.7
174.02773	1.9
175.11201	4.7
180.16640	1.6
186.18533	36.5
193.12274	10.0
211.13301	43.6
216.07375	4.7
218.34802	1.7
225.14824	3.6
230.21155	11.6
234.08606	2.0
248.13504	1.8
260.10046	3.9
278.23270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
55.05516	2.7
57.07080	17.8
64.59718	0.5
65.03928	1.3
67.05533	3.3
71.04987	3.3
71.08613	2.8
71.15651	1.0
76.61185	0.6
79.05498	10.1
81.07056	2.3
83.04980	2.6
84.35609	0.5
85.02902	1.3
87.04450	1.8
91.05472	5.1
93.03378	0.7
93.07051	1.0
95.04949	2.9
95.08623	0.7
97.06521	1.6
98.97597	4.8
99.04444	1.6
101.06020	2.6
105.03381	1.8
105.07031	3.9
107.04972	1.2
109.02845	0.6
109.06537	0.8
110.97586	1.2
111.04437	3.3
113.06020	1.3
115.03865	0.6
116.98618	1.3
117.05517	0.7
117.07018	2.5
119.04954	0.5
119.08592	8.7
121.02880	4.5
121.03903	0.9
123.04452	2.7
128.06198	0.6
128.98596	1.3
129.05475	2.1
129.07022	1.2
131.08525	0.6
131.14279	0.6
133.06578	0.6
133.10136	3.2
143.08569	3.8
145.06540	1.3
147.04424	0.9
147.08055	10.0
149.02354	100.0
158.99696	2.3
161.09630	18.2
165.09131	4.6
167.03430	5.3
170.19550	0.5
171.08083	1.0
177.00795	1.4
179.10699	9.7
189.09106	11.6
203.91202	0.6
205.08620	1.0
207.10158	10.8
219.01657	0.6
225.11234	13.7
243.12291	8.3
279.09097	1.5
279.15994	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	279.1704
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
50.85621	0.5
52.32361	0.6
53.03927	0.8
55.05514	0.6
56.60581	0.5
57.07078	14.7
65.03941	0.6
66.95869	0.5
67.05502	2.5
69.03396	0.6
69.07061	1.4
71.02918	0.9
71.03313	0.5
79.05513	2.7
81.07053	3.7
84.08074	0.5
86.09708	95.8
91.05475	1.3
93.07054	1.8
95.04968	0.8
95.08615	1.7
97.06533	0.8
98.97594	2.2
103.05466	2.3
107.08591	1.2
109.06517	0.9
109.10162	0.9
120.08108	44.9
121.02867	3.8
123.04414	0.5
132.10223	0.6
137.09634	1.0
145.06519	0.6
149.02345	100.0
158.99670	0.9
161.06117	0.5
166.08644	11.4
167.03401	3.2
177.00620	0.6
205.08429	0.8
233.16534	1.1
258.09018	0.6
261.14847	0.8
279.06519	1.1
279.17084	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	279.2319
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	1.0
55.05515	7.8
57.07085	2.7
59.76051	0.5
60.79914	0.5
65.03937	2.6
67.05507	100.0
69.07071	7.7
69.85174	2.4
71.04986	0.9
71.08634	0.8
79.05492	11.7
81.07057	97.0
83.04980	1.3
83.08628	4.4
85.06541	1.8
87.58990	0.5
91.05487	3.6
93.07045	10.8
95.08610	79.0
97.06529	1.2
97.10150	2.4
105.07030	2.2
107.08599	6.7
109.06524	1.2
109.10155	26.0
110.44273	0.5
110.65600	0.5
111.08053	0.6
111.11729	0.9
117.07035	1.1
119.08601	2.7
121.10147	5.3
123.08079	1.8
123.11708	16.0
125.09591	0.5
127.07555	0.8
130.04723	0.4
131.08569	5.0
133.10139	2.5
135.08058	1.1
135.11691	5.1
137.09610	1.2
137.13257	10.8
141.09076	0.7
141.12746	0.7
145.10115	2.6
147.11719	2.5
149.02347	10.5
149.09616	1.5
149.13266	3.7
151.14821	4.0
159.11729	2.9
161.13269	1.8
163.11195	1.1
163.14825	2.2
165.12749	1.0
165.16428	1.2
167.10652	0.8
173.13263	6.2
175.14857	0.6
177.12782	2.0
177.16356	1.1
179.14267	1.0
181.12260	0.9
187.14868	2.3
191.14319	2.2
195.13765	2.7
201.04497	0.6
205.15897	1.0
209.15359	3.2
223.14876	0.5
223.16882	2.9
239.44046	0.5
243.21054	2.1
261.22104	3.5
279.09406	0.6
279.23196	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	279.2318
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
52.64826	0.8
53.03950	1.3
54.52251	0.7
55.05513	8.5
55.34071	0.6
57.07078	5.0
59.92355	0.6
65.03941	3.0
67.05506	100.0
69.07075	9.1
69.07430	1.2
69.31618	1.9
69.32026	4.4
71.04980	1.0
79.05495	10.7
81.07059	99.6
83.08633	4.6
91.05474	3.4
93.07040	12.2
93.07574	1.2
95.08610	79.4
97.06540	1.7
97.10171	3.5
98.42183	0.8
105.07033	3.5
107.08599	8.5
109.06511	0.9
109.10160	26.4
110.43478	0.7
117.07034	1.7
119.08581	2.8
121.02885	1.6
121.10134	5.9
123.08050	1.7
123.11706	17.3
131.08569	4.3
133.10139	2.5
135.08044	1.5
135.11710	4.3
137.09622	1.3
137.13261	12.2
141.09113	0.9
145.10156	2.9
147.11700	3.0
149.02342	33.6
149.09624	1.1
149.13284	3.7
151.14806	4.1
159.11717	3.2
161.13280	1.2
163.11148	1.7
163.14815	1.6
165.16388	1.1
167.10626	1.3
169.12192	0.7
173.13281	6.6
177.12761	2.1
179.14238	1.0
181.12202	1.5
186.10094	0.7
187.14807	2.3
191.14359	3.1
195.13791	3.6
205.15797	1.0
209.15352	4.8
219.21207	0.9
223.16960	3.9
243.21132	2.2
261.22159	3.1
279.09442	1.2
279.23206	34.6
285.42264	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.34399	0.8
55.05521	7.1
57.07080	6.5
65.03927	2.8
67.05507	93.5
69.07070	7.8
69.59335	0.8
69.93914	1.5
69.94324	2.6
71.04985	0.9
75.38411	0.8
78.67361	0.7
79.05495	10.4
81.07059	100.0
83.04972	1.1
83.08608	5.3
85.06557	1.1
91.05461	2.5
93.07043	7.3
95.08610	75.0
97.10149	3.2
105.07015	1.7
107.08601	5.4
109.06564	1.2
109.10160	51.0
111.11698	1.3
119.08556	2.2
121.02878	1.0
121.10160	5.9
123.08069	1.5
123.11712	33.4
127.07531	0.8
131.08565	2.7
133.10132	3.3
135.11697	3.0
137.09636	1.7
137.13258	12.8
140.19438	0.8
140.86003	0.9
145.10118	2.3
145.30954	0.9
147.11688	2.6
149.02345	37.5
149.09644	1.8
149.13240	2.6
151.14824	3.1
153.12718	0.7
159.11690	2.8
161.13255	2.5
163.11267	1.2
163.14836	2.0
165.12740	1.4
167.10715	1.1
173.13271	3.3
173.48691	0.9
177.12741	1.6
179.14281	1.8
181.12170	1.8
187.14774	3.3
191.14430	1.5
195.13847	1.8
205.15984	0.8
209.15596	3.7
209.17288	0.8
218.03880	0.8
220.06723	0.8
223.17010	3.6
237.18468	1.1
243.21033	2.9
261.22107	4.1
279.09390	2.5
279.23187	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	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03948	1.3
55.01872	0.8
55.05266	0.9
55.05515	9.4
57.06794	0.5
57.07079	9.7
65.03940	3.6
67.05508	95.9
69.07075	10.3
69.21678	4.7
71.04994	1.3
71.08636	1.2
73.67014	0.4
79.05024	0.5
79.05155	0.3
79.05495	13.4
81.07059	100.0
83.04989	1.3
83.08623	6.2
85.06546	1.1
91.05488	4.6
93.07047	13.0
94.07412	0.7
95.04966	1.2
95.08611	82.1
97.06525	2.1
97.10156	3.9
99.08096	0.6
99.53745	0.5
105.04563	0.7
105.07030	3.9
107.08595	8.3
107.19324	0.4
109.06542	1.4
109.10162	50.9
111.08105	1.1
111.11733	1.0
117.07027	1.4
119.08582	4.6
121.02858	3.7
121.06541	0.5
121.10138	9.0
123.08082	1.0
123.11714	26.2
125.09657	0.7
127.07564	0.7
131.08594	5.6
133.10138	3.2
135.08066	1.2
135.11708	5.9
137.09647	1.3
137.13261	10.8
137.14268	0.9
137.66530	0.5
139.07602	0.4
139.11264	0.5
143.10583	0.5
145.10133	3.5
147.11717	3.5
149.02350	72.6
149.09653	1.3
149.13278	3.2
151.11206	1.2
151.14850	3.4
153.09189	0.6
153.12694	0.5
159.11707	2.7
161.13228	3.3
162.05220	0.4
163.11238	1.7
163.14877	1.5
165.12762	2.0
165.16400	1.0
167.03386	1.4
167.10701	1.1
169.12239	0.8
173.13280	3.5
177.12778	2.0
177.16393	1.1
179.14317	1.3
181.12212	1.5
183.13701	0.6
187.14842	3.8
190.05022	0.5
190.72342	0.4
191.14334	1.4
191.17970	1.6
191.53305	0.4
194.83173	0.5
195.13840	2.7
201.16478	0.7
205.08664	0.9
205.15887	1.3
209.15378	3.5
219.21143	0.8
223.16956	4.0
237.18492	1.4
243.21089	4.6
258.50052	0.5
261.22159	7.7
279.09583	1.0
279.19833	3.6
279.23187	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	Crepenynic acid
Peak:m/z	Relative Intensity
53.03944	1.3
55.01871	1.2
55.05510	10.6
57.03430	1.4
57.07076	23.0
64.35890	0.8
65.03939	2.6
67.05507	77.3
69.03433	1.2
69.07076	12.8
70.00196	3.8
71.04985	1.7
71.08633	20.2
79.05499	17.9
81.07059	89.9
83.04960	2.3
83.08628	8.3
85.06548	1.7
85.10181	19.0
90.41684	0.8
91.05479	13.1
91.64999	0.8
93.07045	14.2
93.32055	0.9
95.04961	1.7
95.08610	67.3
97.06521	3.4
97.10166	4.0
98.97585	2.4
99.07498	1.7
99.08095	19.9
105.07032	7.8
107.08601	10.9
107.39480	0.9
109.06530	1.3
109.10165	24.6
110.97566	1.0
111.08097	1.2
113.08894	1.6
113.09649	25.9
117.07000	2.1
119.08597	5.0
121.02859	3.8
121.03961	1.0
121.10156	9.9
123.08054	1.7
123.11710	12.0
125.09634	1.5
127.11140	1.0
131.08575	6.4
133.10139	10.9
135.08035	2.4
135.11708	6.6
136.12206	0.7
137.09644	1.7
137.13251	12.6
141.12703	1.1
143.97951	0.8
145.10136	4.8
147.11684	13.0
149.02344	100.0
149.09602	1.9
149.13292	7.8
150.02731	1.2
151.11176	2.8
151.14824	6.0
152.54005	0.8
153.12717	2.4
159.11668	3.0
161.13289	2.1
163.11111	2.8
163.14799	5.1
165.12723	5.5
165.16359	0.9
167.03429	1.2
167.14302	2.6
171.11885	1.0
173.13232	6.6
173.71736	0.8
177.12778	3.1
177.16287	1.0
179.14262	0.8
181.12241	1.4
181.15831	2.6
187.14813	2.3
191.14294	1.9
195.13800	3.5
201.04462	1.3
205.08566	1.4
209.15346	5.4
223.16908	3.3
233.22675	2.3
237.18515	1.3
243.21080	5.9
261.18671	0.9
261.19202	1.1
261.22137	10.8
279.09305	3.2
279.23190	95.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09129	2.5
53.03943	2.9
55.01851	6.6
55.05515	76.0
57.03426	9.8
57.07076	17.3
58.07402	4.8
59.05000	5.3
67.05508	67.2
69.03426	8.3
69.07079	19.1
69.75317	14.5
70.06572	3.8
71.05014	4.0
73.02900	5.1
79.05506	25.4
81.03424	6.2
81.07068	31.4
83.04982	6.4
83.08624	38.2
84.04501	3.4
85.02446	3.6
85.02909	46.1
85.06528	2.9
87.04478	32.6
90.99458	2.9
91.05500	7.0
93.07036	8.1
95.04958	4.1
95.08600	20.7
97.06504	4.7
97.10175	73.9
98.20792	3.1
103.03934	6.8
105.07093	3.4
107.08595	30.0
109.10161	57.8
119.08614	6.2
121.02907	4.5
121.10143	4.1
122.03195	3.7
123.08097	3.2
125.09637	100.0
135.11710	4.6
137.09653	4.6
143.10686	9.8
149.02350	70.7
150.02689	65.6
153.12697	5.3
155.10669	9.4
163.11188	9.1
173.11749	46.1
174.79242	2.7
199.13330	8.7
241.49170	2.9
262.14529	4.8
280.12045	3.3
303.16348	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	281.1021
Annotation	Xestodecalactone C
Peak:m/z	Relative Intensity
55.05491	1.5
56.96544	1.5
57.03440	1.5
57.07071	1.3
63.26999	0.9
64.73554	1.0
65.03934	2.2
67.05508	4.6
67.25211	0.8
69.03441	2.2
69.07066	0.9
71.04981	1.5
71.51832	1.5
79.05483	2.7
81.03423	2.6
81.07051	3.5
83.04987	1.9
83.08624	1.4
85.02911	3.7
85.06565	1.3
91.05482	11.7
93.07014	3.0
95.04989	2.4
95.08588	2.2
97.02887	2.9
97.06540	2.2
97.10183	1.0
98.97611	1.7
103.05436	2.1
105.03375	1.2
105.07026	3.4
106.15884	0.9
107.04965	2.1
107.08580	1.2
109.02892	2.7
109.06535	1.2
110.97594	1.3
113.06011	1.1
115.05435	5.7
116.06232	3.8
117.07015	7.8
119.04949	6.3
119.08598	2.3
120.08141	6.4
121.06524	1.0
121.10152	1.6
123.08056	1.3
127.03924	1.2
128.06195	3.6
129.07013	14.0
131.04889	2.3
131.08582	16.9
133.06461	1.4
133.10104	3.1
135.08041	1.8
137.05949	1.2
141.06992	6.0
143.08554	2.2
144.05717	12.1
145.06511	10.8
147.08069	2.1
149.02296	2.1
150.02686	2.0
151.02754	2.2
151.03967	1.6
155.04889	3.0
155.06067	2.7
156.05748	2.4
157.06508	10.7
158.07326	2.2
159.04359	1.1
159.08075	18.8
159.11734	1.1
161.05949	3.9
161.09682	2.3
167.07025	2.7
169.07639	4.0
172.05194	2.7
173.05969	10.8
174.06738	3.3
175.07547	3.0
181.04962	3.1
185.05966	10.5
186.06726	1.3
187.07556	9.4
188.04695	1.1
189.05466	3.3
189.09085	3.4
191.07010	2.2
191.08522	1.4
199.14810	1.3
201.05441	1.8
202.06241	2.6
203.07065	9.4
204.07848	18.5
205.08635	1.5
211.07889	1.0
213.05440	1.7
215.03526	1.1
217.08583	10.9
218.09410	0.9
219.10161	2.2
220.03635	1.0
230.05725	1.1
231.06526	9.7
233.08133	5.4
235.06004	6.7
237.09160	1.4
245.08044	5.8
245.15501	1.7
246.10626	1.0
248.06998	1.4
263.09171	100.0
264.16135	1.8
281.10449	1.4
281.13846	2.3
281.18625	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.40284	2.0
53.03946	8.8
55.01859	6.0
55.05273	2.4
55.05515	32.3
57.03443	25.5
57.07055	2.9
65.03908	6.0
67.05509	84.1
69.07077	14.0
69.33961	1.7
69.93289	8.3
71.04981	2.6
73.06548	3.0
73.15078	1.8
79.05498	100.0
81.03056	1.6
81.03426	16.3
81.06601	2.8
81.07062	60.1
83.04984	37.3
83.08616	10.0
91.05490	65.7
93.07050	73.6
93.07637	4.0
95.04978	26.4
95.08076	2.8
95.08619	38.2
97.06517	7.4
97.10158	7.4
98.21442	2.4
105.07040	48.5
107.04929	8.5
107.08599	26.6
107.85625	1.8
109.06522	9.8
109.10133	6.1
111.08078	2.9
117.06990	8.1
119.08582	28.9
121.06468	3.2
121.10135	5.8
123.08051	6.8
127.07545	2.3
129.07033	16.5
131.08565	3.2
133.10156	15.3
135.11700	3.0
143.08591	11.4
145.10107	8.5
147.08057	3.7
147.10532	3.1
147.11688	40.7
161.09650	2.6
161.13260	19.8
171.11702	34.6
189.12749	11.3
207.13835	19.2
266.49637	1.9
281.17465	69.2
298.00116	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03955	8.3
55.01863	5.1
55.05280	2.0
55.05517	31.5
56.96546	1.7
57.03442	28.2
57.07076	3.3
65.03952	3.8
67.05508	77.8
69.03416	5.1
69.06734	1.6
69.07071	19.4
69.88828	2.6
69.89248	6.8
71.04991	3.1
72.08138	2.2
73.06544	2.3
77.03892	1.8
79.05499	100.0
81.03415	14.9
81.07063	67.5
83.04990	35.6
83.08640	9.1
85.02898	2.7
85.06541	4.4
91.05486	66.6
93.07050	74.9
93.46373	1.4
95.04981	26.8
95.08614	43.4
97.06535	9.1
97.10157	6.9
98.97599	2.3
105.03381	1.8
105.04490	2.2
105.07035	52.6
107.04974	8.6
107.08592	23.7
109.06538	10.9
109.10184	10.2
111.04459	1.5
111.08091	2.6
113.06010	2.0
115.05338	1.7
117.07030	13.8
119.04974	2.0
119.08589	32.2
121.06496	5.8
121.10184	6.9
123.08083	8.6
125.09656	1.6
127.07506	2.6
128.06226	2.4
129.07007	21.3
131.08569	6.0
133.06461	3.6
133.10143	15.5
135.08020	5.7
135.11717	3.5
137.06017	1.6
139.07524	2.2
143.08569	11.6
145.10143	11.5
147.08057	3.5
147.11705	42.2
149.02309	4.3
150.02689	3.4
151.02843	4.1
151.07513	1.7
158.99577	1.5
159.11673	4.3
161.09628	5.5
161.13261	19.7
163.11151	2.5
167.07016	2.1
171.11714	32.8
179.14391	1.9
189.12749	11.6
191.04950	1.8
193.01782	1.6
200.12448	2.3
207.11844	2.4
207.13800	17.7
211.02635	2.3
217.12328	1.7
222.83656	1.5
228.13814	1.7
245.15498	1.7
263.09180	1.7
263.12631	1.9
281.04285	5.9
281.14389	4.1
281.17471	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1749
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03944	7.1
55.01881	5.9
55.05511	36.7
57.03439	33.0
57.07059	3.9
59.04977	1.3
61.02907	1.3
65.03937	6.0
67.05508	96.7
69.03432	8.2
69.06741	1.2
69.07072	20.4
69.68546	2.5
69.68962	4.7
71.04968	5.0
73.02915	1.2
73.06541	1.9
77.03957	1.4
78.18067	1.1
79.05497	100.0
80.49779	1.1
81.03421	14.6
81.07061	68.5
83.04979	37.5
83.08633	9.9
85.02888	2.7
85.06515	4.1
87.04464	1.3
91.05484	72.9
91.38769	1.2
93.07047	80.2
95.04977	31.0
95.08612	47.4
97.02859	5.0
97.06528	9.7
97.10168	6.8
99.04453	1.4
103.03922	1.1
105.03373	2.2
105.04500	2.8
105.07035	53.7
107.04983	6.5
107.08603	34.3
108.71008	1.1
109.02867	1.8
109.05924	1.1
109.06536	11.3
109.10155	11.3
111.04433	2.0
111.08075	3.3
114.09115	1.5
115.05460	2.4
116.64869	1.1
117.07018	12.5
119.04952	2.6
119.08588	33.4
121.06486	4.8
121.10167	7.7
122.39648	1.2
123.04443	1.6
123.08080	11.1
123.11674	1.6
125.05988	2.6
125.09599	2.4
127.07556	3.5
128.06172	2.8
129.05496	1.3
129.07010	22.1
131.08540	4.8
133.06409	1.7
133.10144	14.8
135.08047	15.7
135.11673	4.0
137.09573	2.8
141.09062	2.7
143.08546	13.1
145.10133	14.2
147.04384	3.8
147.06573	1.5
147.08017	4.5
147.11688	44.4
150.02704	2.6
151.02840	2.5
151.11165	1.2
156.09283	2.5
159.11664	1.7
161.05959	1.2
161.09654	6.3
161.13261	19.1
161.14511	1.0
163.11169	4.1
169.10181	1.5
171.10286	2.1
171.11691	34.2
175.07407	1.5
179.14302	2.1
189.09065	1.5
189.12724	15.5
207.11942	1.5
207.13782	17.2
211.10950	1.3
225.14677	1.2
238.98848	1.1
249.11140	1.9
249.14973	1.3
253.53627	1.1
254.05032	1.2
263.12692	4.2
263.16400	1.5
281.04492	2.0
281.13879	4.6
281.17419	61.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.03954	8.1
55.01851	4.6
55.05518	34.6
57.03441	30.1
57.07050	4.8
65.03915	4.7
66.28312	1.3
67.05510	89.5
69.03410	2.8
69.07077	24.4
71.04972	5.5
71.08606	1.9
71.52521	1.8
73.06549	2.3
73.20287	1.6
79.05500	100.0
81.03423	15.6
81.07059	75.7
83.04989	36.6
83.08234	1.3
83.08626	13.4
85.02876	1.8
85.06528	5.1
91.04910	2.3
91.05486	65.7
93.07048	73.7
95.04979	22.6
95.08614	45.6
97.02848	1.5
97.06524	8.1
97.10199	7.5
98.97582	2.9
99.08017	2.0
105.03396	1.8
105.07036	49.7
107.04955	8.0
107.08590	27.5
109.02793	1.8
109.06528	11.7
109.09477	2.6
109.10165	26.6
111.08044	2.2
111.11632	1.9
115.05430	2.1
117.07010	10.7
119.04877	1.6
119.07830	2.4
119.08591	33.6
121.06480	5.5
121.10164	6.7
123.08070	10.7
123.11715	8.2
127.07555	2.0
128.06206	2.7
129.07011	19.5
131.08575	5.2
133.06453	1.7
133.10139	17.4
135.08022	2.4
135.11667	3.9
137.09581	3.0
137.13133	1.5
141.09151	1.5
143.08591	8.1
145.10149	12.6
147.07994	4.0
147.11699	39.8
149.02313	3.0
149.09578	1.3
150.02582	4.2
151.02798	4.4
151.11163	1.7
156.09309	1.7
157.10185	1.6
158.99599	1.7
159.11646	2.3
161.09561	6.2
161.13269	18.3
163.11111	2.1
171.11691	32.8
179.14259	1.9
185.13226	1.8
189.12743	13.6
207.13823	19.1
245.15280	1.7
253.19395	1.5
263.16394	2.7
281.17413	70.7
281.24643	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	281.175
Annotation	Pestalotheol C
Peak:m/z	Relative Intensity
50.92310	1.5
53.03946	13.9
55.01873	9.1
55.05517	34.3
55.38528	1.5
56.94573	1.5
56.96577	3.6
57.03441	35.5
57.07091	2.9
59.05009	2.1
65.03937	4.6
67.05510	95.4
68.22200	1.7
69.03440	5.9
69.07074	21.5
69.86800	7.2
71.04999	5.0
73.02928	2.3
73.06539	2.2
77.03912	1.7
79.05500	100.0
81.03413	17.9
81.06589	4.1
81.07063	74.0
83.04986	34.1
83.08620	13.6
85.02922	2.7
85.06550	3.4
91.05489	75.9
93.07052	75.7
95.04984	30.6
95.08613	49.1
97.02893	9.1
97.06554	9.3
97.10187	7.3
98.20793	2.4
103.05473	3.0
105.03403	3.7
105.07037	57.3
107.04967	15.5
107.08604	31.3
109.02890	38.2
109.06519	9.2
109.10177	12.2
111.08083	6.2
115.05444	3.1
117.07023	13.9
119.04954	3.6
119.08588	35.2
119.09370	2.7
121.06513	5.2
121.10164	7.0
123.04457	5.3
123.08099	9.4
128.06236	5.6
129.07014	18.3
131.08588	5.5
133.06499	4.0
133.10135	26.4
135.08070	6.9
135.11685	5.5
137.06004	1.9
137.09544	2.8
139.12697	1.7
143.08559	15.0
145.06499	3.8
145.10110	16.2
147.04350	1.8
147.08054	5.9
147.11699	46.0
149.02348	2.5
149.09674	2.4
150.02777	1.9
151.02905	4.1
151.07381	2.1
151.11203	2.8
159.11703	2.6
161.09612	20.9
161.13266	17.1
163.05446	1.8
167.07089	2.1
171.08090	8.4
171.11711	35.5
179.10692	6.5
189.09149	15.9
189.12743	13.5
207.10121	3.3
207.13792	17.2
214.83131	1.9
221.15614	2.0
224.09694	1.8
225.11241	20.8
253.05042	2.9
263.16498	3.1
281.04480	8.0
281.13928	19.6
281.17526	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	282.1198
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01863	0.6
57.02061	0.2
57.03427	0.8
59.04992	0.9
61.02925	0.5
62.48279	0.2
65.01427	0.2
67.05531	0.2
67.84063	0.2
69.03439	2.0
69.07072	0.2
70.69338	0.4
70.69692	0.2
71.01357	0.3
71.04973	0.2
75.04478	0.6
85.02905	0.8
85.06528	0.2
87.04463	0.8
89.06038	0.3
94.04049	0.5
97.02899	1.0
98.97587	0.5
99.04441	0.2
101.06035	1.0
103.07546	0.4
115.03915	0.2
119.03583	0.9
123.07973	0.6
136.06192	100.0
137.04616	0.4
137.06583	0.3
145.04918	0.3
147.06526	0.5
150.07753	2.3
158.76860	0.2
158.99655	0.3
177.00735	0.2
207.03409	0.2
282.12027	5.6
282.22150	0.3
282.27924	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	282.1199
Annotation	1-Methyladenosine
Peak:m/z	Relative Intensity
50.76876	0.2
53.10054	0.2
55.01863	0.5
57.03441	1.2
57.04565	0.4
59.05003	0.2
61.02901	0.2
69.03414	0.5
69.07085	0.3
71.00747	0.4
71.01340	0.4
71.04996	0.2
73.02924	0.4
84.08142	0.2
85.02917	0.8
85.65605	0.2
88.03991	0.5
91.05495	0.2
94.04047	0.9
97.02903	0.4
98.97580	0.5
110.97604	0.2
117.78514	0.1
119.03564	0.2
120.06577	0.2
120.08089	0.7
121.08439	0.7
123.06656	0.6
125.63162	0.2
128.98567	0.2
133.05074	0.4
134.09653	0.2
135.05405	0.2
136.06195	8.8
137.06627	1.1
146.99561	0.2
150.07755	100.0
162.04105	0.7
163.04559	1.0
166.08759	0.2
167.08980	0.3
171.41920	0.2
176.09021	0.2
201.07329	0.2
206.11667	0.3
236.09052	0.2
236.11258	0.3
247.07985	0.2
250.12990	1.7
280.54395	0.2
282.11990	15.9
282.15567	3.7
282.22168	0.5
282.27884	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	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91896	0.2
55.01873	0.6
57.03437	1.2
57.83459	0.3
62.09134	0.3
69.03427	0.5
69.07070	3.3
70.40759	0.9
71.05002	0.4
73.02910	0.5
73.42784	0.2
79.05479	0.3
81.07042	0.4
85.02904	0.5
88.03971	0.4
92.11072	0.3
94.04035	1.2
97.06515	1.8
98.20868	0.3
98.97581	1.1
110.45003	0.2
110.97578	0.3
116.98673	0.3
119.03536	1.7
120.08112	0.4
121.08434	0.6
129.09113	1.1
133.05034	0.2
135.30797	0.2
136.06192	100.0
137.04567	0.7
143.17076	0.2
146.79675	0.3
150.07756	30.0
163.04379	0.4
170.99724	0.3
189.00706	0.3
193.04955	0.3
200.39555	0.3
206.10426	0.3
232.11987	0.4
250.13010	21.5
264.14667	0.3
282.12076	4.3
282.15607	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
55.74945	0.2
57.03441	0.4
57.07077	0.2
59.05006	1.4
61.02933	1.8
67.05511	0.3
69.03423	0.2
69.07037	0.3
69.32687	0.3
69.33092	1.3
70.06599	0.3
71.04997	3.3
78.43321	0.2
79.05488	1.2
81.03482	0.3
81.06587	0.4
81.07063	5.7
83.08606	0.2
87.08104	0.4
91.05488	0.5
93.07053	0.4
95.04971	0.6
95.08582	0.2
97.06520	0.3
99.08083	0.3
105.07016	0.5
109.02863	0.2
109.05143	0.7
110.03548	2.7
111.08112	0.2
113.09666	0.7
119.08619	0.5
120.04467	0.2
120.08086	0.3
121.06513	0.2
126.61446	0.3
128.04568	1.3
131.08574	0.3
134.04547	0.3
134.09637	0.3
135.03032	8.1
135.08092	0.6
136.01437	0.2
137.09648	0.2
147.08086	0.3
152.05687	100.0
153.04091	8.5
153.05190	0.2
159.11678	0.3
163.03491	0.2
166.07312	0.8
173.09630	0.2
174.12874	0.3
175.07561	0.4
201.12766	0.3
210.15094	0.3
217.12212	0.2
220.13330	0.3
232.11961	0.4
233.29353	0.2
236.09352	0.3
247.13336	0.8
250.13016	2.4
258.49774	0.2
265.14328	2.3
269.68631	0.2
282.15622	30.6
282.22092	0.7
283.15692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1519
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03968	0.6
55.01875	2.4
55.05523	3.8
57.03446	5.6
57.07077	0.5
59.04997	0.6
67.05501	6.3
69.07052	1.9
69.80860	2.9
71.05000	0.6
79.05065	0.9
79.05496	10.8
81.03407	1.7
81.07059	7.3
83.01339	1.5
83.04989	3.1
83.08625	3.4
91.05495	4.0
93.06492	0.8
93.07048	12.5
95.04956	2.0
95.08000	0.7
95.08611	10.3
97.02885	1.2
97.06516	2.2
97.10209	0.7
98.20789	1.0
99.04427	0.5
105.07049	3.0
107.04958	2.8
107.08600	8.8
109.06483	1.1
109.10154	1.1
111.04446	1.7
111.08092	1.0
111.10796	0.5
117.07027	3.7
119.08574	3.3
120.45855	0.6
121.06512	1.9
121.10163	3.6
123.08063	0.5
125.06007	1.2
130.07860	0.6
131.08542	0.8
133.10152	0.9
134.10086	0.5
135.08081	1.1
135.10693	1.1
135.11699	14.3
137.09624	0.5
145.10146	8.1
153.12732	2.0
155.08524	0.8
163.11188	21.4
172.48618	0.6
180.35619	0.6
181.12209	5.7
191.10585	1.0
194.08009	0.5
209.11774	1.6
227.12788	30.1
233.11436	3.1
265.14178	1.5
269.12360	2.2
280.51794	0.7
283.15207	100.0
284.15521	0.8
290.49185	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01868	3.2
55.05516	8.6
55.63073	0.9
57.03443	9.6
57.07064	1.8
58.69529	1.0
65.03934	1.1
67.05182	1.4
67.05510	15.7
67.84534	0.9
69.07076	5.8
70.13392	3.2
71.04996	2.1
75.06072	0.9
79.05498	20.4
81.03426	1.3
81.07061	16.3
83.04972	3.1
83.08627	7.9
85.06567	1.1
86.28645	1.0
89.06026	4.2
89.97757	0.9
91.05492	7.5
93.07048	28.5
95.04998	5.9
95.08610	32.9
97.02886	3.7
97.06529	3.4
99.04448	4.7
105.07050	5.0
107.04959	8.6
107.08599	21.8
109.06526	1.6
109.10159	4.3
111.04448	3.4
117.07015	8.0
118.47554	0.9
119.08599	9.9
121.06504	3.8
121.10140	10.6
125.05996	1.6
130.07771	1.6
131.08542	2.0
133.08604	1.5
133.10114	2.2
135.08023	1.6
135.11696	37.1
135.12732	1.9
139.07570	1.3
145.10127	26.0
155.08533	1.4
163.11182	55.5
173.09639	2.3
181.12234	12.2
191.10754	1.6
209.11794	2.7
227.12794	100.0
255.15968	1.6
283.15390	31.2
283.20309	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53808	0.7
53.03807	0.8
53.04019	1.2
55.01977	2.5
55.05314	1.9
55.05616	6.5
57.03234	1.5
57.03535	6.9
57.07150	1.0
60.10186	0.7
60.10514	0.8
67.05228	2.1
67.05613	11.8
69.03503	1.5
69.06774	1.5
69.07188	5.5
69.26864	5.8
69.27277	1.7
70.84995	0.7
71.04743	0.7
71.05104	2.1
73.03004	1.3
79.05104	2.6
79.05614	19.4
81.03522	2.2
81.07184	13.5
83.04633	0.9
83.05109	2.6
83.08214	1.5
83.08746	5.9
89.06165	2.3
91.05608	6.6
93.06528	2.5
93.07172	25.5
95.05105	4.3
95.08076	2.0
95.08738	27.0
97.03040	2.9
97.06659	3.7
97.89885	0.7
99.04587	3.8
105.07169	5.6
107.04977	7.1
107.07951	0.9
107.08604	21.6
109.06665	2.0
109.10287	2.5
111.04517	1.4
111.08157	1.5
113.06222	0.7
117.07025	6.7
119.08590	9.9
121.06512	6.2
121.10156	11.1
125.06132	2.1
130.07867	1.7
131.08679	1.5
133.10262	2.0
135.08139	2.1
135.11702	37.0
139.07614	1.1
143.08675	1.0
145.06625	1.0
145.10130	25.5
147.08217	0.8
147.11800	1.2
153.12769	1.7
158.38145	0.7
163.11197	53.9
173.09743	1.4
181.12259	12.4
181.13693	1.0
209.11810	2.1
227.12794	100.0
283.15305	36.4
283.20428	1.8
290.21970	0.8
294.96118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.13810	1.7
52.73879	1.7
53.03946	3.8
55.01875	11.8
55.05516	26.0
57.03439	18.4
57.07051	5.5
59.04998	2.0
67.05508	24.2
69.03397	3.1
69.07073	8.8
69.07376	1.7
71.04980	5.0
79.05499	36.1
81.03416	9.5
81.06608	2.0
81.07062	31.0
83.01344	10.5
83.04979	12.9
83.08624	16.3
85.06532	2.8
89.06046	12.5
91.05484	18.9
93.06496	3.3
93.07050	49.8
95.04990	9.7
95.08071	2.8
95.08617	36.6
97.02888	4.3
97.06523	5.9
97.10162	3.5
98.21554	3.9
99.04433	5.4
101.21978	1.9
105.07037	15.0
107.04971	10.6
107.08601	31.8
109.06497	8.2
109.10146	7.0
111.04443	2.7
111.08064	2.8
117.07025	13.7
119.08618	12.6
121.06498	7.7
121.10152	18.3
123.08054	4.3
125.05959	3.4
129.07031	2.6
130.07751	2.8
131.08548	5.3
133.08597	3.8
133.10120	4.9
135.10719	2.6
135.11699	41.7
143.08603	2.3
145.10129	34.5
147.08018	3.2
149.09636	2.5
153.12756	5.8
163.11185	70.8
173.09612	6.2
181.12254	14.0
191.10620	5.0
197.28197	1.8
209.11679	9.9
227.12787	100.0
271.63181	1.8
283.15375	73.5
283.20520	4.2
283.28470	2.9
293.80737	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.3
55.05510	11.5
57.03439	9.1
57.07087	3.1
65.69317	1.8
66.80830	1.6
67.05505	15.0
67.05819	2.5
69.07083	8.7
70.53464	1.6
70.71165	1.7
71.04998	1.7
71.53704	2.7
75.22922	1.9
79.05499	21.9
81.03454	1.6
81.07059	17.5
83.04981	4.6
83.08616	6.7
89.06037	5.8
91.05500	7.8
93.07042	33.8
95.04971	6.9
95.08609	32.7
97.02914	3.1
97.06523	3.8
99.04450	4.2
105.07025	5.9
107.04968	9.5
107.08602	22.0
109.06503	3.1
109.10156	2.6
111.04444	2.1
113.06109	1.6
117.06995	8.9
119.08594	10.4
121.06509	7.1
121.10158	11.3
125.05996	4.1
131.08582	3.2
133.08643	3.4
133.10101	4.6
135.08083	2.1
135.11691	42.6
145.10126	29.7
163.11197	59.8
173.09584	1.8
181.12209	14.1
209.11745	2.0
227.12787	100.0
283.15414	40.0
283.24063	2.3
283.28281	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18428	0.7
53.03932	1.3
55.01869	2.8
55.05307	0.8
55.05516	8.4
55.56191	0.7
57.03196	0.8
57.03443	9.9
57.07080	2.0
59.38808	0.9
59.59996	0.8
60.03114	0.7
60.78572	0.6
62.27165	0.7
62.43862	0.8
63.45232	0.7
67.05184	1.1
67.05512	13.9
69.03432	1.9
69.07069	6.1
71.04991	2.0
71.08631	1.3
79.05502	22.8
81.03416	3.0
81.07063	16.0
83.04980	3.6
83.08631	6.4
89.06027	1.8
91.05496	8.5
93.06488	1.6
93.07053	31.5
95.04991	7.4
95.08615	32.3
97.02893	3.2
97.06570	4.1
98.21513	2.9
99.04479	3.9
105.07051	6.9
107.04440	0.8
107.04977	9.4
107.08604	22.9
109.06512	1.2
109.10154	2.7
111.04452	1.8
111.08079	1.0
117.07010	7.1
119.08590	9.4
121.06508	5.8
121.10161	10.6
125.05981	2.5
129.06975	0.8
130.07718	1.9
131.08528	1.3
133.10135	2.7
135.08058	1.0
135.11707	39.1
143.08543	1.8
145.10144	26.4
163.11195	54.0
173.09593	1.9
181.12262	15.0
191.10715	1.4
209.11717	2.6
227.12801	100.0
263.01813	0.9
283.15408	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01870	5.0
55.05269	0.9
55.05510	10.2
55.52900	0.8
57.03201	0.9
57.03440	11.8
57.07058	1.7
65.03949	1.0
67.05186	1.0
67.05510	18.2
69.03424	1.6
69.07077	7.5
70.64244	1.6
70.64631	1.6
71.04597	0.9
71.04984	3.4
73.02921	1.2
79.05495	26.1
80.64706	0.9
81.03420	4.0
81.06598	1.2
81.07056	16.6
83.04982	5.8
83.08617	7.7
85.02911	1.5
85.06526	1.7
91.05485	11.2
93.07048	33.9
95.04987	6.3
95.08611	31.1
97.02885	3.0
97.06528	4.3
99.04446	5.2
105.07031	8.8
107.04946	10.0
107.08592	25.1
109.06522	2.7
109.10143	3.4
111.04436	2.7
111.08100	1.6
117.07011	10.5
119.08592	9.3
121.02845	3.3
121.06501	5.1
121.10139	12.0
125.05984	2.9
130.07726	1.6
131.08557	2.6
133.10135	3.0
135.08060	1.9
135.11699	47.7
139.07542	2.3
143.08511	1.2
145.10133	26.6
147.08032	1.0
153.12737	2.4
155.08553	1.1
163.11188	58.2
169.10118	1.0
171.75348	0.9
173.09622	2.5
181.12239	13.8
191.10712	1.4
195.77742	0.7
209.11694	3.5
223.14650	1.0
227.12788	100.0
240.05145	1.0
248.54271	0.9
283.15399	39.7
283.20041	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.0
55.05516	9.5
57.03433	7.8
57.07078	3.7
65.94627	1.5
67.05510	13.9
69.03464	1.5
69.06033	1.5
69.07066	6.7
69.15251	4.1
69.15667	12.2
70.61301	1.6
70.69566	1.3
71.05002	2.4
76.16495	1.8
79.05496	20.0
81.07067	18.7
83.04977	4.1
83.08617	7.8
84.08941	1.5
89.06027	7.7
91.05476	7.0
93.07050	31.3
95.04955	6.8
95.08614	30.0
97.02906	4.0
97.06519	4.1
97.10178	2.2
99.04486	2.6
105.07027	6.5
107.04972	6.2
107.08606	23.4
109.06514	1.7
109.26571	1.5
111.04453	1.8
111.08129	1.7
117.07024	6.8
119.08584	6.4
121.06491	5.3
121.10156	10.0
125.06022	2.8
133.08607	3.7
133.10129	2.3
135.10068	2.7
135.11694	39.8
145.10132	21.3
163.11192	54.6
173.09703	2.2
181.12230	14.3
226.39894	1.4
227.12794	100.0
248.24599	2.3
272.78088	1.7
283.15402	35.3
283.22333	9.2
283.28510	8.1
287.31247	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01867	4.5
55.05511	11.2
57.03440	10.2
57.07070	3.8
63.68915	1.1
67.05508	17.0
69.03411	1.7
69.07084	6.6
69.81028	1.2
69.81474	1.2
70.40249	1.2
71.04984	2.4
71.08616	2.8
71.53545	2.0
73.02917	1.0
74.44225	1.4
79.05499	24.9
81.03421	3.4
81.07058	21.0
83.04979	3.8
83.08612	7.5
85.10146	1.5
87.36044	1.1
89.06013	3.2
91.05478	10.8
93.07046	34.1
95.04960	8.4
95.08613	34.1
97.02895	4.0
97.06515	2.9
99.04438	4.7
104.31333	1.1
105.07014	10.9
107.04955	9.8
107.08596	23.3
109.06484	1.8
109.10123	2.8
111.04424	3.5
111.08083	1.5
117.07037	9.2
119.08583	10.0
121.06482	5.6
121.10159	16.5
125.06020	2.5
130.07726	1.4
131.08525	3.2
133.08607	2.4
133.10150	4.6
135.11696	41.6
139.07550	1.9
143.08592	1.3
145.10118	26.7
147.11652	2.0
163.11183	52.5
172.95300	2.2
173.09628	1.6
175.11227	1.3
181.12242	13.5
194.22015	1.2
206.67542	1.1
209.11633	2.3
227.12782	100.0
228.97833	1.4
255.24928	1.4
283.15308	38.7
283.20480	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2056
Annotation	(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Peak:m/z	Relative Intensity
51.16670	2.0
53.03926	3.9
53.90562	2.0
55.01871	2.6
55.05517	15.1
57.03425	2.9
57.07079	3.5
57.20786	1.7
60.02885	1.9
66.77597	1.8
67.05510	22.3
68.93168	1.7
69.03417	6.2
69.07072	14.1
70.35365	6.0
71.04991	19.5
76.92181	1.8
79.05499	27.4
81.03403	1.7
81.07056	46.3
83.04968	4.3
83.08635	8.9
85.06542	4.9
91.05485	30.1
93.07046	50.5
95.04970	15.4
95.08610	29.2
97.06535	10.5
97.10172	3.9
99.08060	2.3
103.05475	3.2
105.07037	54.9
107.08602	41.6
109.06500	8.0
109.10156	21.9
117.07061	11.1
119.08582	42.0
121.06479	7.9
121.10148	75.8
123.08064	8.5
123.11697	8.5
125.09634	2.2
128.06168	3.3
129.07005	7.8
130.07747	7.0
131.08566	37.8
133.10126	37.2
135.08029	12.4
135.11658	11.0
141.07005	2.4
142.07782	6.5
143.08557	23.4
144.09346	4.3
145.10129	51.8
146.07266	2.3
147.08060	4.3
147.11670	11.4
149.09653	2.7
149.13252	2.3
155.08554	6.1
156.09352	5.1
157.10144	22.1
158.10921	7.2
159.08051	3.4
159.11705	15.3
161.09619	32.8
161.13281	6.1
163.11247	9.3
163.12378	1.7
167.08493	3.3
168.09293	2.0
169.10155	6.2
170.10899	3.1
171.11707	14.4
173.09662	3.2
173.13260	89.8
175.11166	5.1
175.14835	8.5
179.08533	3.8
181.10097	5.2
183.11668	9.2
185.13258	13.1
187.11258	2.7
187.14851	7.5
189.12741	2.7
191.14276	9.4
193.10150	4.8
194.10876	4.8
195.11670	8.1
197.13266	5.2
199.11125	2.6
199.14854	6.1
201.12869	2.9
201.16377	3.0
209.13268	18.8
211.14775	3.7
213.12868	4.8
213.16328	4.9
215.14366	2.8
221.13190	2.6
223.14795	11.8
225.16327	4.4
227.14476	11.0
237.16437	2.7
239.17943	4.8
241.19461	3.0
255.20978	10.7
265.19540	24.1
283.20535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2058
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
51.47204	1.8
53.03923	5.6
55.01862	2.0
55.05516	23.4
57.03415	6.4
57.07044	6.4
57.60588	1.8
65.03912	2.5
67.05512	21.9
69.03388	8.2
69.07076	23.4
70.14867	1.8
70.56800	4.5
71.05003	21.1
71.08610	3.2
79.05501	25.1
81.03399	2.3
81.07066	48.7
83.04958	3.7
83.08640	13.9
86.25850	2.1
89.06025	4.6
91.05494	27.9
93.07053	44.1
95.04984	12.7
95.08619	23.7
97.06479	6.8
97.10117	8.0
103.05422	3.9
105.07041	59.1
107.08604	41.4
109.06464	7.2
109.10165	20.1
111.08046	3.4
111.11692	2.0
115.05417	2.6
116.06239	2.2
117.07021	13.2
119.08593	43.8
121.06441	7.5
121.10151	100.0
123.08109	11.0
123.08819	2.4
123.11653	6.7
128.06155	4.6
129.06952	8.4
130.07747	6.5
131.08582	36.2
133.07590	3.8
133.08504	2.6
133.10149	36.2
135.07996	8.2
135.11702	12.3
137.09584	2.9
142.07806	3.7
143.08559	25.8
144.09319	3.7
145.10136	52.6
146.07191	4.9
147.08018	2.8
147.11623	9.1
149.09639	2.6
149.13130	3.7
156.09319	4.7
157.10135	20.1
158.10893	9.7
159.08025	3.6
159.11713	13.5
161.08353	2.5
161.09631	34.9
161.13197	3.0
163.11151	9.8
169.10091	4.9
170.10922	2.0
171.11687	12.1
173.09583	4.9
173.13287	67.5
175.11116	2.9
175.14742	5.5
179.08484	5.3
180.09282	2.3
181.09988	3.0
183.11554	6.7
185.09579	2.4
185.13182	7.5
187.11089	2.9
187.14745	8.9
189.12657	3.5
191.14226	5.8
193.10042	2.7
194.10844	2.4
195.11571	6.3
197.13200	2.7
199.11102	2.6
199.14735	7.3
201.16362	3.5
209.13174	8.9
211.14880	2.3
213.12621	4.3
213.16359	4.7
223.14713	5.9
225.16365	3.2
227.14331	4.0
237.16203	2.4
255.20956	6.3
259.14474	2.1
265.19598	15.2
283.20358	68.5
283.22617	6.7
283.27759	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2057
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
55.01864	1.7
55.05510	14.2
57.03429	2.7
57.07065	3.0
65.03934	1.7
67.05507	24.2
69.03420	1.2
69.07074	8.0
69.38933	8.6
71.04983	1.4
71.08627	1.2
79.05501	14.3
81.07051	16.5
83.04983	1.7
83.08627	7.2
89.06033	2.4
91.05493	10.8
93.03410	2.0
93.07049	22.1
95.04955	4.5
95.08609	26.9
97.06523	3.5
97.10185	3.2
105.07034	13.2
107.04983	4.0
107.08600	17.5
109.06528	3.1
109.10151	6.3
111.08071	2.1
115.05459	2.1
117.07048	7.3
119.08594	16.8
121.06508	2.2
121.10143	4.2
123.11738	1.3
128.06165	1.2
129.06992	11.5
130.07811	1.2
131.08563	19.4
133.06499	8.5
133.10126	7.3
135.08081	2.3
135.11699	13.5
142.07777	2.8
143.08574	12.7
144.18039	1.1
145.06488	1.4
145.10132	16.8
147.08139	1.2
147.11690	3.6
149.09604	1.3
149.13249	1.9
155.08559	10.8
156.09323	1.7
157.10114	10.9
159.11685	8.7
161.13261	4.9
163.11182	8.4
163.14842	2.5
165.06982	3.7
167.08563	4.6
169.10127	8.4
170.10825	1.9
171.08066	2.5
171.11681	7.3
173.09608	1.6
173.13260	19.1
175.14830	3.7
179.08580	1.9
180.09322	4.3
181.10143	4.7
181.12344	2.1
183.11665	9.0
185.09612	3.3
185.13269	14.4
187.11211	5.1
187.14822	36.3
191.14259	5.8
194.10933	1.5
195.11714	32.3
197.13268	3.0
199.11246	6.1
199.14830	16.6
201.12703	5.7
209.13274	7.6
211.14680	1.9
213.12749	24.6
213.16267	5.1
215.14296	2.9
223.14763	4.3
225.16388	4.3
227.12576	14.0
227.14429	3.7
227.17868	2.6
237.16296	1.3
239.17938	2.1
241.15904	3.1
255.21089	26.6
255.23628	1.9
265.19580	30.5
283.15405	6.8
283.20566	100.0
283.28201	19.0
298.42123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
50.56328	0.1
53.04370	0.1
55.01874	0.3
57.03434	0.5
69.03436	0.3
70.06612	0.3
70.81251	0.1
71.50950	0.1
73.02906	0.3
82.04053	0.2
85.02908	0.4
89.03548	0.1
98.07420	0.1
109.05138	0.3
110.03534	2.3
119.01929	0.2
122.01398	0.2
128.04547	0.4
131.01918	0.3
134.04642	0.3
135.03030	6.2
136.06212	0.2
137.01909	0.2
140.35515	0.1
152.05681	100.0
153.04080	4.0
153.05981	0.2
173.02946	0.2
184.55217	0.2
196.72890	0.1
201.02586	0.1
261.03082	0.5
284.09995	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	284.099
Annotation	NSC19994
Peak:m/z	Relative Intensity
56.96557	0.8
57.03431	0.9
61.01170	0.8
61.02918	0.8
62.00092	0.6
69.03431	1.6
69.07066	1.3
69.24443	0.5
70.06597	11.6
70.28281	1.8
73.02934	1.5
77.76678	0.5
81.03400	0.9
81.54945	0.6
85.02911	3.5
86.09706	1.1
87.04485	1.1
97.02898	1.5
98.06052	1.3
98.20778	0.6
101.00888	1.0
105.05502	1.0
110.03545	1.5
116.07069	0.9
119.01931	1.3
119.03582	0.6
123.04436	0.8
127.03874	0.8
128.04518	0.6
133.03580	0.6
135.02998	3.9
136.06195	88.1
137.03040	0.6
140.07062	0.8
141.10236	3.3
145.03217	0.7
145.04938	0.8
148.06216	1.4
150.07751	1.7
151.06165	0.8
152.05684	100.0
153.04099	5.7
163.04111	1.0
169.09695	3.9
173.03053	1.1
201.02437	1.4
207.95190	0.6
213.12294	2.1
218.94495	0.9
219.03664	0.8
242.05763	1.0
246.00595	0.7
261.02609	0.9
266.08798	2.1
284.09924	15.3
284.15863	1.0
284.29498	2.9
285.07507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3312
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
50.52028	0.2
55.69429	0.2
57.06804	0.2
57.07080	5.6
58.06601	1.6
60.08169	18.1
69.07065	0.3
69.76860	0.9
72.89904	0.2
81.07053	0.3
85.10174	0.9
113.95470	0.2
114.66519	0.2
119.08553	0.3
120.47525	0.2
177.79431	0.3
224.78551	0.3
270.05173	0.4
284.33127	100.0
285.07568	2.2
285.33456	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03943	5.1
55.01862	2.8
55.05275	1.7
55.05516	21.2
57.03157	2.2
57.03441	36.5
59.04993	2.0
67.05508	29.8
69.03426	4.8
69.07067	7.0
71.04997	9.6
71.48066	1.7
79.05069	2.1
79.05497	30.1
81.03423	100.0
81.07056	36.3
83.04981	18.5
83.08622	29.5
85.02908	56.6
85.03677	1.4
85.06524	2.7
88.04344	1.1
91.05489	40.1
93.07047	21.0
94.37131	1.2
95.04973	34.1
95.08608	13.4
97.02892	2.3
97.06561	6.2
97.10167	3.1
101.89047	1.4
105.07034	28.5
107.04939	7.0
107.08583	12.3
109.06519	5.5
109.10153	3.8
111.04441	3.9
111.08084	20.2
113.05980	3.0
117.07010	1.6
119.08582	23.7
120.49004	1.3
121.06570	2.4
121.10144	11.2
123.08052	3.1
123.11653	2.1
129.06987	11.7
131.08571	14.7
133.06505	3.1
133.10132	12.7
137.09613	1.6
142.07788	2.5
145.10185	1.6
147.08044	5.2
147.11696	20.1
149.09624	10.2
157.10129	18.6
165.12813	6.0
175.11188	23.5
175.12723	1.5
193.12253	92.8
211.13307	54.6
267.15891	13.2
285.16971	98.1
303.72610	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03946	3.6
55.01875	2.5
55.05518	10.6
57.03444	10.9
59.04963	1.1
59.58810	0.8
67.05506	18.5
69.03429	2.0
69.07059	2.7
71.02556	2.2
71.04998	2.7
79.05498	15.6
81.03421	100.0
81.07057	16.9
83.04984	6.7
83.08151	1.5
83.08627	21.0
85.02916	15.0
85.06521	1.5
91.05482	19.8
93.07045	9.7
94.31216	1.1
95.04967	31.5
95.08604	5.1
97.02901	2.9
97.06511	1.9
97.10168	2.4
105.07034	14.6
107.04945	7.6
107.08584	4.4
109.06548	4.4
109.10110	1.2
111.04444	2.5
111.08088	12.3
113.06033	1.3
115.05444	1.4
119.08578	12.1
121.06491	1.9
121.10153	6.0
123.08080	1.5
123.11734	1.3
129.07013	10.1
131.08585	8.5
133.06560	2.6
133.10127	5.5
137.09642	1.6
142.07770	2.4
147.11693	14.1
149.09659	6.9
157.10107	11.3
165.12753	2.7
175.11200	15.1
193.12253	64.8
211.13280	17.6
216.71931	1.0
267.15936	17.1
285.07678	2.7
285.16977	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03937	3.2
54.67807	1.0
55.01853	2.6
55.05511	12.4
57.03438	20.7
65.03946	1.3
66.54754	1.2
67.05504	17.3
67.16747	1.1
69.03412	4.0
69.07069	5.6
69.56957	7.2
71.04986	3.0
74.02312	1.2
79.05492	17.8
81.03418	100.0
81.07055	18.7
83.04578	1.1
83.04986	8.6
83.08157	1.9
83.08618	26.5
84.52247	1.0
85.02908	30.5
85.06542	1.9
91.05477	22.7
93.07042	12.4
95.04971	28.6
95.08617	7.6
96.94755	1.1
97.02882	3.5
97.06523	4.0
97.10175	2.5
98.20769	2.4
99.04481	1.1
105.07024	17.6
107.04964	6.2
107.08587	7.4
109.06519	3.6
109.10161	2.3
111.04430	3.2
111.08082	16.8
113.05988	3.0
117.07000	1.3
119.08576	17.2
121.10151	7.1
123.08060	2.0
123.11718	1.9
129.07008	9.7
131.08571	10.1
133.06438	3.0
133.10135	7.3
133.10948	1.3
137.09602	2.2
142.07788	2.9
147.08076	3.0
147.11684	17.5
149.09616	4.9
157.10129	17.6
165.12799	3.1
170.43771	1.1
171.55560	1.1
175.11194	16.6
185.75529	1.1
193.12245	86.0
211.11365	1.8
211.13306	33.3
229.14265	2.8
253.03600	1.2
267.15921	17.1
285.16959	46.6
287.05496	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	285.1696
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03946	2.2
55.01867	4.2
55.05511	19.7
57.03165	2.1
57.03442	35.3
58.69621	1.5
65.13530	1.7
67.05511	31.0
69.03407	4.3
69.07069	9.0
71.04990	8.0
75.36566	1.5
77.03146	1.8
78.50692	1.5
79.05070	2.6
79.05502	30.4
81.03424	64.2
81.07060	37.9
83.04980	15.7
83.08160	2.0
83.08627	25.8
85.02915	53.7
85.06541	4.2
91.05489	36.3
93.07050	19.8
95.04977	28.7
95.08615	17.9
97.02871	2.4
97.06534	6.5
97.10163	3.6
105.07031	26.8
107.04961	5.8
107.08617	8.5
109.06498	6.8
109.10145	4.6
111.04469	3.6
111.08085	17.6
113.06022	4.6
116.33767	1.6
119.08591	26.4
121.10175	10.3
123.08081	6.1
123.11693	3.2
129.06975	11.8
131.08571	13.6
133.06465	3.4
133.10135	15.8
135.73743	1.8
137.09734	1.8
142.07787	3.5
145.10173	2.3
147.08029	4.9
147.11703	19.6
149.09630	7.5
157.10133	18.0
165.12773	3.3
175.11191	22.4
175.90004	1.6
193.12256	78.7
211.13297	43.3
215.88985	1.9
267.15918	6.5
285.08002	2.2
285.16977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01879	3.2
55.05510	9.9
57.03446	11.4
60.14336	1.0
64.06927	1.0
65.59497	1.1
67.05511	15.3
69.03425	2.7
69.07072	3.8
69.28476	1.0
69.84772	4.2
71.04984	3.3
71.23725	0.9
79.05501	15.0
81.03423	100.0
81.07059	15.6
83.04992	8.3
83.08627	23.7
85.02910	14.3
91.05484	19.7
93.07050	10.0
94.70776	1.0
95.04974	29.3
95.08594	4.9
97.02907	2.0
97.06543	3.1
97.10168	1.8
105.07050	12.9
107.04955	7.4
107.08586	4.6
109.06525	4.2
109.10121	1.1
111.04452	1.8
111.08083	11.0
113.05995	1.7
114.63493	1.1
119.04924	1.1
119.08601	13.5
121.06553	1.5
121.10160	7.1
123.08144	1.6
123.11725	1.4
129.07025	10.4
131.08586	7.7
133.06497	3.2
133.10114	5.8
137.09615	1.7
142.07802	2.6
147.08037	1.7
147.11690	9.7
149.09634	5.5
157.10115	12.3
165.12759	3.1
175.11197	16.7
193.12257	74.4
211.13310	20.6
212.55762	1.1
229.14336	1.1
235.01445	1.2
242.05939	1.0
259.08627	1.4
267.15927	16.5
285.07635	4.0
285.16986	21.4
289.99823	1.3
299.08273	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03942	4.3
55.01887	1.6
55.05516	7.9
57.03445	8.9
57.23661	0.8
67.05515	12.2
69.03436	2.8
69.07067	2.1
69.73150	3.2
69.73550	1.5
70.38506	0.7
71.04996	1.3
79.05492	12.5
81.03422	100.0
81.07054	12.0
83.04969	6.1
83.08151	1.6
83.08620	20.5
85.02902	10.1
91.05479	13.3
93.07055	7.7
95.04975	25.0
95.05579	1.6
95.08600	3.3
97.02903	2.4
97.06561	2.0
97.10179	1.5
105.07030	10.6
107.04964	6.1
107.08617	4.2
109.06525	2.5
109.10178	2.2
111.04456	1.7
111.08086	12.4
113.06015	1.1
115.05465	1.0
116.06300	1.1
117.06978	1.2
119.08598	11.2
121.06504	2.1
121.10114	5.3
123.08078	1.3
123.11750	0.8
129.07010	7.4
131.08569	8.1
133.06509	3.0
133.10115	4.1
137.09628	1.6
142.07828	2.3
145.10155	1.3
147.08069	3.1
147.11685	6.3
149.09668	4.3
157.10133	8.7
165.12810	2.1
175.11189	14.6
193.12250	62.2
197.37987	0.7
211.13298	16.1
239.14738	1.1
242.06049	1.0
267.15930	14.9
285.07593	2.8
285.16934	16.6
285.19736	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	4.7
55.01872	3.1
55.05514	14.6
57.03438	22.8
57.07060	5.7
59.04987	1.7
63.00066	2.0
65.03934	2.2
65.61166	1.7
67.05193	1.5
67.05512	26.4
69.03422	4.6
69.07073	8.7
71.04979	5.5
71.08630	3.3
71.53382	2.2
75.04469	1.4
79.05488	22.3
81.03420	100.0
81.07059	33.1
83.04976	10.4
83.08152	2.4
83.08624	35.1
85.02906	48.4
85.06565	2.6
86.09756	1.4
86.29938	1.5
88.07631	3.1
91.05479	25.3
93.07041	17.1
95.04977	37.6
95.08615	15.7
97.02887	4.5
97.06510	5.6
97.10136	3.8
102.09169	2.1
105.07039	24.5
107.04977	8.4
107.08619	12.8
109.06508	7.0
109.10180	8.4
111.04436	4.1
111.08076	14.8
113.05994	5.2
117.07049	1.8
119.08585	20.4
121.06523	2.5
121.10143	17.9
123.08046	4.7
123.11723	3.1
125.09586	2.5
129.06990	10.9
131.08562	13.8
133.06490	6.3
133.10153	13.7
135.08101	2.5
137.09584	2.2
142.07719	2.8
143.08578	3.2
145.10123	3.3
147.08028	4.7
147.11687	19.4
149.09641	6.0
157.10138	14.2
159.11687	5.6
161.09595	3.3
163.11176	1.6
165.12778	5.5
169.10123	2.0
171.11682	2.6
173.13271	3.3
175.11208	20.7
183.11636	1.6
185.13278	1.7
187.14705	2.5
191.43495	1.5
193.12250	95.8
199.14783	2.8
211.13277	53.1
229.14236	2.2
242.05760	24.6
265.89120	2.0
267.15759	17.4
270.05191	13.5
279.54672	1.7
285.07562	85.4
285.16821	80.6
285.22101	11.4
285.24564	4.3
285.29773	22.0
286.31201	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.27046	1.7
53.03946	4.7
55.01863	5.7
55.05511	17.7
56.96551	1.7
57.03438	30.4
57.07051	2.8
57.78533	1.7
63.00042	2.2
67.05511	28.1
69.03423	6.4
69.07080	13.0
71.04989	7.6
71.53226	2.2
79.05495	27.7
81.03422	100.0
81.07063	39.3
83.04973	13.7
83.08623	32.9
85.02910	48.9
85.06543	3.9
91.05489	33.4
93.07041	18.6
95.04972	35.4
95.08614	15.8
97.02898	3.9
97.06538	26.4
97.10150	7.2
105.07033	26.1
107.04965	7.3
107.08604	11.1
109.06504	5.4
109.10144	6.4
111.04456	3.0
111.07487	1.7
111.08104	17.8
113.06020	3.7
115.05468	2.8
117.07038	2.9
119.08581	26.4
121.10139	13.7
123.08116	3.3
123.11720	4.4
124.99996	1.6
125.09715	1.9
129.07024	11.4
131.08571	15.4
133.06508	4.8
133.10124	10.2
135.11708	1.7
137.09657	3.0
141.38914	1.7
142.07768	3.4
143.08623	2.7
145.10115	5.3
147.08064	5.9
147.11690	19.7
149.09636	6.9
157.10132	18.9
159.11702	3.3
161.05949	3.7
165.12769	4.4
171.11667	3.7
173.13377	2.2
175.11211	25.2
189.09061	4.0
193.12248	90.5
197.13208	2.4
199.07581	6.3
205.09303	1.7
211.13278	60.5
225.16289	1.9
227.17850	2.2
241.12263	6.6
242.05736	25.7
243.06503	10.6
243.17380	2.9
267.15842	14.7
267.20959	2.7
270.05289	13.6
285.07596	91.6
285.11108	6.2
285.16882	81.7
285.22162	15.5
285.29572	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01872	3.1
55.05514	14.6
57.03438	22.8
57.07060	5.7
59.04987	1.7
63.00066	2.0
65.03934	2.2
65.61166	1.7
67.05193	1.5
67.05512	26.4
69.03422	4.6
69.07073	8.7
71.04979	5.5
71.08630	3.3
71.53382	2.2
75.04469	1.4
79.05488	22.3
81.03420	100.0
81.07059	33.1
83.04976	10.4
83.08152	2.4
83.08624	35.1
85.02906	48.4
85.06565	2.6
86.09756	1.4
86.29938	1.5
88.07631	3.1
91.05479	25.3
93.07041	17.1
95.04977	37.6
95.08615	15.7
97.02887	4.5
97.06510	5.6
97.10136	3.8
102.09169	2.1
105.07039	24.5
107.04977	8.4
107.08619	12.8
109.06508	7.0
109.10180	8.4
111.04436	4.1
111.08076	14.8
113.05994	5.2
117.07049	1.8
119.08585	20.4
121.06523	2.5
121.10143	17.9
123.08046	4.7
123.11723	3.1
125.09586	2.5
129.06990	10.9
131.08562	13.8
133.06490	6.3
133.10153	13.7
135.08101	2.5
137.09584	2.2
142.07719	2.8
143.08578	3.2
145.10123	3.3
147.08028	4.7
147.11687	19.4
149.09641	6.0
157.10138	14.2
159.11687	5.6
161.09595	3.3
163.11176	1.6
165.12778	5.5
169.10123	2.0
171.11682	2.6
173.13271	3.3
175.11208	20.7
183.11636	1.6
185.13278	1.7
187.14705	2.5
191.43495	1.5
193.12250	95.8
199.14783	2.8
211.13277	53.1
229.14236	2.2
242.05760	24.6
265.89120	2.0
267.15759	17.4
270.05191	13.5
279.54672	1.7
285.07562	85.4
285.16821	80.6
285.22101	11.4
285.24564	4.3
285.29773	22.0
286.31201	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03933	5.1
55.01858	4.6
55.05510	25.5
56.52796	2.0
57.03442	34.5
65.03928	2.7
67.05191	2.8
67.05508	44.7
68.05770	2.0
69.03400	5.8
69.07067	14.2
70.77254	6.2
71.04986	9.5
79.05079	2.4
79.05503	39.9
81.03424	76.7
81.06608	3.3
81.07062	57.9
83.04981	19.3
83.08615	25.7
84.97128	1.9
85.02446	2.6
85.02912	35.6
85.06528	7.7
87.04438	5.4
91.05488	47.7
93.07052	30.5
95.04978	52.4
95.08617	23.7
97.02861	3.6
97.06544	9.6
97.10153	6.1
99.08112	2.1
100.11237	3.8
105.07037	41.9
107.04952	12.3
107.08591	18.6
109.06484	10.1
109.10140	6.7
111.04420	4.5
111.08092	12.5
113.05978	4.3
114.09097	5.0
116.52819	2.0
117.07005	3.7
119.08583	31.0
121.06509	2.6
121.10165	18.5
123.08054	6.4
123.11707	8.2
125.09588	7.5
129.07022	15.8
131.08559	14.7
133.06479	7.6
133.10133	17.2
135.08054	7.8
135.11685	5.9
137.09633	4.5
142.07745	3.1
143.00081	2.3
145.10092	5.9
147.08003	4.6
147.10667	3.5
147.11710	40.0
149.09587	10.7
151.11172	13.0
157.10146	26.0
159.11653	3.6
161.13210	3.3
165.12743	14.7
175.11188	30.9
183.11705	3.4
185.13206	2.3
193.05064	9.7
193.12256	100.0
211.13293	48.8
211.15010	2.5
212.53915	2.2
213.12762	2.2
225.07573	6.0
229.14383	5.0
229.16397	2.3
242.05737	8.5
267.15997	18.4
267.20938	4.1
270.05228	4.8
285.07626	28.8
285.16934	92.5
285.21619	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
52.05185	1.8
53.03950	3.5
53.21885	2.2
55.05513	15.1
57.07066	5.5
67.05238	2.1
67.05511	24.0
69.03451	3.5
69.07074	60.1
69.37241	10.0
69.37679	8.9
69.56961	2.2
70.28416	2.1
70.61036	2.3
71.04990	6.7
71.08650	2.9
79.05478	15.6
81.03378	2.3
81.07059	29.2
83.05000	3.7
83.08624	6.8
91.05474	18.8
93.07047	25.6
95.04971	9.7
95.08621	40.7
97.06522	19.3
97.10172	7.5
105.07036	55.8
107.08604	35.7
109.06537	26.6
109.09464	3.5
109.10157	34.1
111.08070	8.2
111.11710	2.5
117.07033	6.1
119.08585	98.6
121.06519	11.8
121.10147	34.1
123.08099	4.1
123.11707	20.1
128.06190	3.7
129.06996	3.5
131.08562	8.9
133.10135	55.8
135.08049	10.9
135.11664	17.4
137.09599	6.9
137.13168	2.8
140.18230	2.5
143.08563	7.3
145.10146	18.3
146.07289	9.1
147.07956	3.0
147.11719	17.6
149.09587	3.3
149.13272	4.8
157.10114	8.2
159.11703	13.3
161.09624	100.0
161.10960	5.1
161.13223	4.6
169.10098	6.5
171.11687	5.7
173.13246	7.8
175.11223	3.9
175.14824	59.3
177.16368	11.9
182.10938	2.7
183.11641	5.1
185.13255	11.9
187.14821	3.7
189.16443	2.8
193.15900	14.2
197.13258	9.6
201.12662	2.6
201.16411	4.2
203.18079	3.6
205.31705	2.7
211.14853	13.0
215.18008	4.8
226.97276	2.3
242.05753	9.4
260.27579	2.3
260.33511	3.0
267.21143	10.9
270.05307	6.0
285.07578	36.7
285.22110	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.0923
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
55.01860	0.6
55.05499	0.7
69.03436	1.8
70.00183	2.2
70.06600	5.6
72.08170	6.0
72.93777	1.0
75.03496	0.6
78.03457	2.7
78.14746	0.5
80.05016	2.3
81.03403	1.5
85.02920	3.9
86.09702	2.3
87.04514	0.6
89.90090	0.6
90.08041	0.5
96.04501	1.7
97.02869	1.0
98.06073	0.6
99.04452	0.9
106.02919	12.3
109.02879	1.9
112.07608	0.5
116.07104	12.0
116.61763	0.6
119.01894	0.6
124.03963	100.0
127.03961	1.1
127.04986	0.5
143.11803	2.5
171.11366	1.0
176.98540	0.6
185.09288	1.9
202.92989	0.5
211.98331	0.6
243.06111	1.4
244.06610	0.9
245.01219	1.9
250.07108	3.7
268.08261	2.3
274.28290	0.5
286.09302	43.1
287.05621	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3105
Annotation	ES-285
Peak:m/z	Relative Intensity
55.05499	0.3
56.49736	0.2
57.07079	5.7
57.28342	0.2
58.06599	1.1
62.06070	0.6
67.05487	0.3
69.16154	2.1
70.06596	1.0
71.08633	2.9
72.08160	16.5
79.78001	0.2
85.10179	1.3
87.04411	0.3
88.07624	1.2
90.09199	12.7
95.08623	0.2
98.20750	0.5
103.93259	0.2
108.11906	0.2
135.01894	0.2
157.94939	0.2
161.80272	0.2
174.18552	0.5
212.23685	0.5
226.25296	0.4
230.24791	3.1
240.26913	0.3
242.28441	0.7
243.06033	0.3
263.90070	0.2
265.02621	0.2
286.07980	0.7
286.31049	100.0
287.05478	0.6
287.31375	0.9
299.28339	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	286.3106
Annotation	ES-285
Peak:m/z	Relative Intensity
57.07079	10.5
57.52099	0.3
58.06611	1.9
62.05796	0.4
62.06093	6.0
66.48888	0.2
69.07059	0.4
69.84382	1.0
71.08633	4.9
72.08139	0.5
80.41835	0.3
85.10194	1.3
87.04465	0.5
89.95319	0.2
139.75838	0.3
156.17482	1.1
166.94427	0.3
174.18526	3.6
212.23737	6.8
226.25349	0.3
228.23250	0.6
230.24797	34.3
268.26575	0.3
269.01437	0.3
286.07950	1.0
286.31046	100.0
287.31339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Cyanidin
Peak:m/z	Relative Intensity
53.66475	0.1
55.01863	0.2
55.05503	0.3
57.03425	0.2
65.03944	0.3
67.01862	0.2
67.05499	0.7
68.99792	1.7
69.03420	0.3
69.07072	0.5
69.26291	0.7
71.01334	0.1
71.04976	0.1
77.98577	0.1
79.05492	0.9
80.05859	0.1
81.03407	1.0
81.07048	1.0
82.03729	0.3
83.04970	0.2
83.08607	0.4
84.08934	0.1
85.02895	0.3
91.05475	0.6
92.05837	0.1
93.07048	0.5
95.04971	0.6
95.08605	0.9
96.05273	0.1
97.02898	0.2
97.06516	0.3
97.10195	0.1
98.97541	0.2
103.05497	0.2
105.03390	0.8
105.04536	0.1
105.07036	0.5
107.04963	1.0
107.08589	0.6
109.02861	0.6
109.10150	0.6
111.00800	1.2
111.04420	0.3
111.08052	0.2
113.05985	0.2
115.05452	0.3
117.07008	0.4
119.04951	0.1
119.08591	0.5
121.02867	5.3
121.06476	0.3
121.10130	0.5
123.11687	0.3
127.03906	0.4
127.93861	0.1
128.06261	0.1
129.06992	0.4
131.04900	0.1
131.08546	0.3
133.02861	0.8
133.06514	0.2
133.10136	0.3
135.04395	0.4
135.08018	0.2
135.11699	0.2
137.02332	1.8
137.09645	0.1
141.06990	0.3
143.08485	0.2
145.06476	0.5
145.10114	0.2
147.04402	1.1
147.08073	0.2
147.11694	0.3
149.05981	0.1
149.13245	0.3
151.03856	0.2
153.01828	8.8
157.06516	1.2
157.10109	0.3
159.11732	0.1
161.05978	0.4
161.09656	0.1
161.13248	0.2
163.11183	0.1
165.01837	3.1
167.61177	0.1
169.06439	0.1
171.04347	0.7
171.11530	0.1
173.13217	0.1
175.03859	0.2
175.07524	0.2
175.11292	0.1
182.13130	0.1
183.02901	1.5
185.05981	1.1
187.11218	0.1
189.05540	0.2
189.12648	0.2
193.12256	0.3
194.12590	0.1
195.12862	0.4
197.06017	0.2
199.03931	0.3
199.14804	0.1
203.03500	0.2
203.06995	0.3
205.19487	0.2
212.13509	0.1
213.05472	2.8
213.13989	0.2
216.04311	0.1
217.04982	0.1
223.20615	0.1
229.04945	0.4
231.06535	1.1
241.04955	1.3
241.15938	0.1
241.21581	0.1
245.04445	0.2
247.87421	0.1
251.17999	0.2
255.02856	0.9
258.05270	2.1
259.06055	0.8
259.17194	0.1
263.05573	0.2
269.04471	0.4
269.16260	0.1
269.19003	0.2
287.05490	100.0
287.23602	0.4
288.05719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.1
55.01861	0.2
55.05505	0.1
59.26362	0.1
63.62845	0.1
65.03949	0.2
67.01862	0.2
67.05496	0.3
68.99443	0.2
68.99791	1.7
69.03419	0.2
70.46321	0.2
70.46679	0.2
71.01409	0.1
72.08158	0.1
77.93282	0.1
79.05515	0.6
81.03424	0.5
81.07055	0.1
91.05484	0.2
93.07025	0.2
95.04961	0.3
97.02885	0.2
101.90779	0.1
103.05453	0.3
105.03388	0.8
105.04504	0.1
105.07094	0.1
107.04962	1.1
109.02891	0.6
109.10155	0.2
110.62299	0.1
111.00809	1.2
111.04444	0.3
113.17889	0.1
115.05441	0.1
117.07082	0.1
119.01911	0.1
119.04935	0.2
121.02867	5.7
121.03876	0.2
121.06540	0.1
121.10144	0.1
125.06076	0.1
127.03912	0.3
129.06992	0.3
133.02869	0.8
133.06471	0.1
135.04410	0.3
137.02338	1.7
141.06961	0.3
143.04901	0.1
145.02771	0.1
145.06488	0.4
147.04410	1.2
153.01836	8.8
155.10704	0.1
157.06493	1.1
161.05968	0.3
163.03903	0.1
165.01842	3.1
169.06505	0.2
171.04445	0.4
173.05983	0.2
173.11688	0.3
175.03912	0.1
175.07648	0.1
183.02901	1.5
185.05966	1.0
189.05447	0.2
197.05984	0.3
203.03447	0.2
203.07095	0.3
213.05464	2.9
216.04405	0.1
217.04906	0.2
229.04968	0.4
231.06517	1.1
241.02672	0.1
241.04950	1.5
242.05759	0.1
243.06476	0.2
258.05228	2.1
259.06046	0.9
269.04510	0.4
287.05499	100.0
288.05804	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.1
60.79725	0.1
65.03947	0.2
67.01878	0.1
67.05513	0.6
68.99799	1.5
69.03446	0.2
69.94693	0.4
72.08152	0.2
79.05499	0.7
79.29850	0.1
79.59952	0.1
81.03423	0.3
81.07072	0.3
85.02899	0.1
86.07990	0.1
86.09594	0.1
93.07053	0.2
94.04185	0.1
95.04961	0.2
95.08620	0.2
98.97603	0.1
103.05490	0.1
105.03397	0.8
105.49138	0.1
107.04958	0.9
108.62241	0.1
109.02901	0.7
109.10141	0.6
111.00808	1.3
111.04420	0.2
115.05511	0.1
117.07009	0.2
118.08660	0.1
119.08598	0.2
121.02871	5.9
121.03866	0.3
127.03922	0.3
129.07011	0.4
133.02863	0.8
133.06427	0.1
135.04443	0.3
135.11711	0.1
137.02344	2.0
139.05363	0.1
141.07033	0.3
145.06480	0.5
147.04413	1.1
147.08142	0.1
151.03911	0.1
153.01840	9.3
155.06110	0.1
155.10690	0.3
157.06483	1.2
161.05989	0.4
165.01852	3.2
165.03250	0.2
171.04437	0.4
173.05875	0.1
173.11768	0.7
175.03995	0.2
175.07555	0.2
183.02916	1.5
184.05217	0.1
185.05948	1.0
189.05507	0.3
197.05981	0.2
200.04620	0.1
203.03568	0.1
203.07108	0.3
213.05453	2.7
216.04114	0.1
229.04988	0.5
231.06529	1.3
241.04959	1.6
242.05928	0.1
243.06459	0.2
245.04320	0.2
258.05231	2.1
259.06113	0.8
269.04480	0.4
287.05502	100.0
288.05771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0548
Annotation	Cyanidin
Peak:m/z	Relative Intensity
65.00011	0.1
65.03936	0.2
65.21189	0.1
67.01851	0.3
68.99509	0.1
68.99791	1.8
69.03418	0.2
79.05495	0.4
81.03407	0.4
81.95542	0.1
91.05465	0.1
94.84346	0.1
95.04963	0.3
97.02866	0.2
98.21507	0.2
103.05454	0.2
104.99937	0.1
105.03385	0.6
107.04955	0.9
109.02897	0.6
111.00800	1.5
111.04414	0.2
115.05463	0.2
115.54717	0.1
117.07020	0.1
119.04925	0.2
121.02870	5.8
121.03866	0.3
121.06483	0.1
127.03941	0.3
129.06990	0.2
133.02858	0.9
135.04430	0.3
135.08038	0.1
137.02347	2.0
141.06979	0.2
145.06523	0.5
147.04419	1.3
151.03827	0.1
153.01836	9.2
157.06467	1.2
161.05966	0.3
165.01845	3.4
169.06505	0.1
171.03058	0.1
171.04417	0.6
175.03941	0.1
175.07635	0.1
179.03467	0.1
182.03342	0.1
183.02911	1.7
184.67474	0.1
185.05969	0.9
189.05536	0.2
194.02100	0.1
197.06001	0.2
203.03348	0.1
203.07007	0.3
213.05467	2.7
216.04115	0.1
217.05020	0.1
218.05830	0.1
226.10265	0.1
227.91908	0.1
229.04895	0.3
231.06526	1.1
241.04965	1.6
243.06538	0.2
245.04489	0.1
258.02545	0.1
258.05255	2.3
259.06021	0.8
269.04422	0.3
287.05499	100.0
288.05841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2007
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03948	5.1
53.86560	2.3
55.01863	4.6
55.05517	13.2
55.78323	2.8
57.03416	4.7
57.07066	9.4
63.00032	3.9
65.03941	3.7
67.05507	32.1
69.03425	4.8
69.07075	23.5
71.04992	3.1
71.52051	2.8
79.05141	2.4
79.05502	26.0
81.03394	2.6
81.07056	47.2
83.04983	5.4
83.08617	6.5
85.06537	5.3
86.09662	2.6
91.05480	23.2
93.07051	30.9
95.04971	20.2
95.08053	3.8
95.08611	35.2
97.06534	24.4
97.10202	5.0
98.98434	3.4
99.08091	3.4
103.05457	3.0
105.07039	45.5
107.04951	4.3
107.08595	44.2
109.06497	9.6
109.10159	33.4
111.08090	3.5
117.07021	8.8
119.08588	49.9
120.39342	2.7
121.06492	5.6
121.10157	31.2
123.08058	8.2
123.11697	14.0
125.09662	3.6
128.06215	7.0
129.07001	12.1
131.08577	28.9
133.06487	2.8
133.10146	35.0
135.08060	11.9
135.11674	13.1
137.09692	6.1
139.11198	4.4
142.07784	8.0
143.08554	22.2
145.06418	4.3
145.10130	28.9
147.08083	8.3
147.11685	23.0
148.27617	2.6
149.09631	21.3
149.13287	16.9
153.01865	3.2
155.08542	7.1
156.09334	10.1
157.10124	29.2
158.10913	6.4
159.11684	31.9
161.05930	4.2
161.09663	3.8
161.13245	32.5
163.11168	4.1
163.14828	8.6
165.12741	3.0
169.10117	7.2
170.10869	5.2
171.11697	19.3
173.09631	7.4
173.13257	33.9
175.01549	10.0
175.07590	6.9
175.11186	6.2
175.14864	4.2
177.06725	10.4
177.12762	3.5
181.10085	2.8
183.11626	4.2
184.12508	5.0
185.13266	25.0
186.14072	6.5
187.11194	7.0
187.14828	16.0
189.12738	7.0
189.16330	3.6
191.07057	17.0
191.10687	3.4
191.14304	11.6
195.11757	6.5
199.11182	4.1
199.14822	11.5
201.16429	7.0
203.14304	9.4
211.14807	6.4
213.12770	12.4
213.16328	12.1
219.13850	3.5
227.14369	6.9
227.17998	8.2
229.15799	7.9
229.19527	5.4
231.13766	12.1
241.15958	3.4
241.19414	9.8
243.21242	3.1
251.17790	5.0
269.16037	4.9
269.18997	46.3
269.22595	20.1
287.05478	46.7
287.08212	4.2
287.12842	20.5
287.16470	16.9
287.20026	100.0
287.23657	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2006
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03946	6.0
55.01863	2.8
55.05506	14.3
56.96580	2.5
57.03440	5.0
57.04621	2.5
57.07073	10.2
58.33125	2.6
63.00040	5.3
64.43250	2.4
67.05504	27.6
69.03434	6.6
69.07062	19.3
69.69858	13.0
71.05011	2.9
79.05493	26.4
80.85212	2.9
81.07057	38.7
83.04977	4.2
83.08616	7.8
85.06557	4.7
86.09699	3.3
87.22297	2.9
91.05482	18.8
93.07052	33.4
95.04982	22.4
95.08602	33.4
97.06528	22.4
98.21484	4.9
98.98460	3.5
99.08091	3.5
105.07039	33.7
107.08585	42.6
109.06518	6.8
109.10170	25.7
111.04468	3.1
115.05505	3.0
117.07028	10.5
119.08582	38.8
121.02831	3.7
121.06502	5.2
121.10172	29.1
123.08080	10.0
123.11704	8.1
125.09602	3.7
128.06218	5.7
129.06995	11.0
131.08582	32.6
133.06477	2.9
133.10110	28.7
135.08078	12.0
135.11681	13.6
137.09662	3.8
141.06984	3.1
142.07782	7.6
143.08551	21.8
144.09389	4.8
145.06479	4.8
145.10118	33.8
147.08055	6.0
147.11676	18.3
149.09615	19.3
149.13264	9.0
151.07628	2.8
153.01859	4.3
155.08559	6.0
156.09349	10.5
157.06635	2.9
157.10124	23.0
158.10945	9.1
159.08037	3.5
159.11711	28.9
161.09624	6.6
161.13280	18.9
163.14775	6.8
169.10138	6.0
170.10913	6.7
171.11676	27.8
173.09586	11.4
173.13271	28.3
175.01567	9.6
175.07578	6.1
175.11226	3.5
175.14880	4.2
177.06755	8.9
177.12785	4.2
183.11678	6.3
185.13297	20.5
187.11186	6.8
187.14874	11.7
189.12801	6.2
190.06395	2.9
191.07024	21.6
191.14343	10.4
195.11722	7.0
199.11217	4.8
199.14835	11.3
201.16414	4.2
203.14310	9.4
205.16032	3.8
211.14888	7.7
213.12706	18.3
213.16432	6.7
214.17360	2.7
225.16414	4.1
227.14343	5.6
227.17937	6.2
229.15871	6.1
231.07864	4.3
231.13802	9.1
241.19461	10.2
269.16006	4.5
269.19022	46.2
269.22617	20.3
287.02304	4.1
287.05518	52.2
287.08405	5.2
287.13208	18.7
287.16580	13.3
287.20071	100.0
287.23682	48.7
292.13242	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	287.2007
Annotation	(2E,4E,8E,10E)-Heptadecatetraen-6-yn-1-yn acetate
Peak:m/z	Relative Intensity
51.33079	1.0
55.01876	1.0
55.05516	10.1
57.07068	3.6
61.65336	0.9
67.05512	11.7
69.07074	13.5
69.86911	5.4
71.04999	1.0
77.03916	1.0
79.05495	14.6
81.07059	23.9
81.21948	1.0
83.08608	9.0
85.10164	1.7
89.27180	0.9
91.05487	8.9
93.07053	12.0
95.04961	2.7
95.08617	19.1
97.00553	1.5
97.06531	4.2
97.10151	2.4
98.97572	1.2
98.98446	1.4
105.07036	15.5
107.08600	12.4
108.32154	1.0
109.06573	2.0
109.10163	15.7
111.04443	1.5
111.08109	2.0
111.11735	1.1
111.50678	1.0
113.05986	1.6
117.07012	5.6
119.08584	19.6
119.09377	1.5
120.39985	0.9
121.02907	0.9
121.06544	1.3
121.10156	7.3
123.11697	4.9
125.06007	14.3
128.06212	1.4
129.07022	7.1
130.07869	1.1
131.08585	10.3
133.10143	15.6
135.11700	5.8
137.13290	1.4
141.06949	1.3
142.07759	3.5
143.08559	14.8
144.09351	1.8
145.06487	1.4
145.10132	17.4
147.08072	2.0
147.11691	13.7
149.09618	1.3
149.13261	5.4
153.01859	1.7
155.08484	1.4
156.09340	5.6
157.06535	1.3
157.08949	1.8
157.10150	21.0
158.10797	1.0
159.08031	1.2
159.11716	15.3
161.09674	2.0
161.13252	14.4
163.07594	2.7
163.11142	1.2
163.14813	7.6
165.09125	1.4
169.10149	1.0
170.10985	1.4
171.11696	26.0
173.09648	1.7
173.13275	7.4
175.07544	0.9
175.11171	1.4
175.14815	5.0
177.06779	3.1
177.09100	2.3
177.16266	1.1
179.10730	2.7
183.11717	2.4
185.13257	21.7
187.14842	3.7
189.09157	3.1
189.12712	1.4
189.16455	2.1
191.07143	1.3
191.10660	5.2
193.12160	1.3
197.13327	1.4
199.11226	3.8
199.14807	13.3
201.16406	1.5
203.10652	7.7
205.12257	3.1
211.14894	1.9
213.12749	2.1
213.16408	5.1
217.12263	25.9
218.71487	1.0
219.13925	1.0
225.16438	5.7
227.14401	1.3
227.18011	2.1
231.13823	14.7
231.21126	2.6
241.19534	27.5
243.17485	2.0
243.21019	1.2
245.15424	3.2
259.16934	4.5
259.20706	2.1
269.19077	9.3
269.22250	6.8
287.05490	24.0
287.07971	2.1
287.20117	100.0
287.23679	15.9
287.27112	2.2
288.20447	1.2
288.28903	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	Helicallenal
Peak:m/z	Relative Intensity
53.03934	0.9
55.01860	0.7
55.05517	6.7
56.96547	1.2
57.03431	1.3
57.07090	2.7
60.18737	0.6
64.00510	0.5
65.03930	0.7
66.16510	0.5
67.05513	18.9
69.03424	1.2
69.06683	0.7
69.07068	9.3
71.04974	0.6
71.16602	0.9
72.08178	3.3
75.17155	0.6
76.04002	0.5
79.05499	9.0
81.06597	1.1
81.07066	22.3
83.04974	1.7
83.08622	3.0
85.02906	0.6
85.06532	1.0
91.05489	13.7
93.07044	13.1
95.04962	1.3
95.08617	18.6
97.06522	2.5
97.10164	2.3
98.97585	0.8
101.09008	0.5
103.05459	0.7
104.92713	0.5
105.03394	0.6
105.07035	16.9
107.07880	1.3
107.08600	19.7
109.06551	1.2
109.10167	22.0
111.08060	1.1
111.11659	0.6
115.05492	0.6
115.66377	0.5
117.07034	3.1
119.08594	18.8
121.02853	0.7
121.06490	1.3
121.10152	10.8
123.08083	1.6
123.11712	8.9
125.09652	4.8
129.07002	1.9
130.07780	0.9
131.08569	7.7
133.10133	13.1
135.08046	0.7
135.11702	5.9
136.04694	1.4
137.09613	2.4
139.11134	1.2
141.07085	0.5
142.07790	1.4
143.00148	1.2
143.08539	4.5
144.07449	0.7
144.09372	0.9
145.05144	0.8
145.06372	0.5
145.10136	10.4
147.08087	0.9
147.11694	15.9
149.13261	11.6
151.11221	0.8
153.01849	0.8
155.08519	1.1
157.10144	5.5
158.10857	0.9
159.11708	9.3
161.05977	0.7
161.13271	29.7
163.03899	0.7
163.11159	1.0
163.14833	10.4
165.01891	1.0
171.11697	4.5
173.13280	6.8
175.07503	0.9
175.14830	4.9
177.12738	0.9
177.16400	0.9
179.14400	0.7
184.13341	2.4
185.13243	4.8
187.14845	5.3
189.12755	0.7
189.16362	2.5
191.07184	2.8
191.14365	2.7
197.10036	0.6
199.14819	8.2
201.16368	2.6
203.14378	1.5
205.15894	1.0
206.10580	1.9
211.14749	0.6
213.09137	1.5
213.16386	8.7
217.15884	1.8
226.06177	0.8
227.17894	5.5
228.75273	0.6
229.19496	6.0
231.08934	0.6
231.17464	1.3
241.08586	2.9
241.19586	1.8
243.21111	0.8
259.24179	0.8
269.07996	0.9
269.15451	0.6
269.20038	0.7
269.22647	21.3
287.05551	13.9
287.08862	1.3
287.09760	1.1
287.13348	9.7
287.16681	3.1
287.20276	4.1
287.23700	100.0
287.63440	1.0
288.23950	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Neocrotocembranal
Peak:m/z	Relative Intensity
51.03358	0.8
55.05492	2.5
57.07056	1.2
67.05503	4.0
69.07071	6.1
69.16245	6.1
69.16649	1.9
71.05024	0.9
79.05483	4.6
81.07056	12.7
83.08603	1.6
91.05476	2.8
93.07054	11.5
95.08612	6.3
97.00546	1.2
97.10132	1.2
105.07034	4.9
107.04940	1.2
107.08602	6.6
109.06504	1.0
109.10159	5.8
111.11738	1.3
112.38304	0.8
117.07022	1.5
119.08598	4.0
121.10149	5.9
123.11718	18.3
125.09640	1.4
129.06923	1.0
131.08569	3.1
133.10139	4.7
135.08075	1.2
135.11649	1.8
143.08546	3.1
145.10124	4.6
147.11700	2.7
149.09621	8.4
149.13199	1.0
157.10110	3.2
159.11705	2.7
161.09677	1.7
161.13223	3.2
163.11134	1.3
163.14841	1.3
171.11639	2.9
173.13251	2.5
175.14774	1.7
177.06758	2.7
177.12779	1.9
179.14262	0.9
185.13269	1.7
187.14804	1.5
191.14355	1.9
199.14807	4.0
203.14363	2.0
213.16370	3.2
227.17966	1.1
229.19476	2.2
269.22681	3.9
287.05478	7.0
287.08142	1.3
287.23685	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
50.96855	0.7
55.01858	0.9
55.05516	8.3
57.07059	2.8
67.05184	0.8
67.05508	10.5
69.07074	12.0
71.04980	1.7
71.52141	1.1
76.71564	0.6
79.05499	8.4
81.06593	1.1
81.07061	19.7
83.04970	0.9
83.08608	6.0
85.06522	1.1
86.09736	0.7
91.05493	7.4
93.06487	1.0
93.07050	15.8
93.07629	0.8
95.04955	1.8
95.08611	23.7
97.06527	3.2
97.10161	3.1
98.97595	1.0
99.08128	0.9
105.07039	17.1
107.07865	1.5
107.08596	21.4
109.06516	1.0
109.10158	21.1
111.08067	1.9
111.11707	1.1
117.07021	3.2
119.08591	25.1
121.06542	1.2
121.09328	1.2
121.10152	17.8
123.08067	1.2
123.11737	8.2
125.09622	2.5
125.68659	0.7
128.06197	1.0
129.06992	2.7
131.08591	8.2
131.48068	0.6
133.06537	0.9
133.10143	21.7
135.08067	1.3
135.11708	12.4
137.09599	1.6
137.13269	1.9
139.11240	1.0
142.07796	1.2
143.08553	6.2
144.09335	1.7
145.10132	15.9
147.11700	19.4
149.09590	0.8
149.13239	7.8
153.01849	1.2
155.08620	1.1
156.09358	1.3
157.10126	11.3
158.10889	2.2
159.11707	21.0
161.09648	0.9
161.13263	15.4
163.11183	1.2
163.14845	9.7
165.12756	2.1
170.10901	2.0
171.11703	10.4
172.12437	1.1
173.13274	15.3
175.11214	0.9
175.14832	8.9
177.12807	2.0
177.16388	3.1
179.14352	2.3
183.11729	0.9
184.12442	0.8
185.13283	10.9
187.14821	10.8
189.12726	1.6
189.16422	4.9
191.07005	1.3
191.14363	3.1
197.13042	0.8
197.52156	0.7
199.14819	14.4
200.15596	1.7
201.16425	6.5
203.14333	2.2
203.17998	2.3
205.15837	1.1
211.14941	1.2
213.16422	16.8
215.18015	3.3
217.15895	3.1
217.19507	0.9
225.16449	1.3
226.17322	1.1
227.17975	6.7
228.18645	1.3
229.19525	6.3
231.17464	4.4
239.17943	1.4
241.19571	8.0
243.21103	14.7
243.23398	1.4
245.19110	1.5
245.22707	1.1
254.20367	1.0
256.21875	2.2
257.22678	2.4
259.24222	3.2
269.22659	46.0
287.05545	11.5
287.12943	2.8
287.23697	100.0
288.24106	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2371
Annotation	9-cis retinol
Peak:m/z	Relative Intensity
50.67632	0.9
53.03938	1.2
55.05511	8.5
57.07063	2.7
59.90371	1.1
65.03928	1.0
67.05510	11.6
69.07075	13.9
69.24197	8.6
71.04993	1.5
77.29368	0.9
79.05500	9.1
81.07059	22.1
83.08617	5.8
85.06540	1.5
91.05475	7.7
93.06484	1.4
93.07046	16.9
95.04975	2.0
95.08610	25.9
97.06556	6.0
97.10157	2.9
99.08090	2.3
105.07037	18.8
107.08599	23.6
109.06526	3.1
109.10161	22.7
111.08091	1.9
111.11720	1.9
117.07027	3.2
119.08591	27.5
121.06482	1.3
121.09347	1.1
121.10157	18.2
123.08060	2.5
123.11724	9.7
125.09615	3.3
128.06192	1.3
129.06973	2.9
131.08583	10.3
132.41821	1.0
133.10144	19.1
135.08014	1.8
135.11691	10.0
137.09625	1.0
137.13242	3.2
142.07779	1.3
143.08559	7.5
144.09357	1.1
145.10152	17.4
147.11703	15.2
149.09644	2.0
149.13274	8.2
151.11150	1.2
153.01851	1.2
156.09302	2.3
157.10129	10.0
158.10915	1.1
159.11700	24.4
161.09573	1.5
161.13264	18.8
163.03848	1.5
163.11180	2.0
163.14842	8.1
165.12781	2.1
170.10878	1.2
171.08064	1.5
171.11690	9.0
173.09648	1.0
173.13281	15.6
175.14803	11.1
177.06763	2.3
177.12706	2.4
177.16394	2.9
179.14334	2.1
184.12485	1.4
185.13219	8.9
187.14828	11.1
189.16434	6.7
191.07031	3.9
191.14339	2.7
191.17906	1.5
197.13467	1.2
199.14836	15.2
201.16360	5.6
203.14272	2.0
203.17932	2.3
205.15842	1.8
213.13060	1.0
213.16403	14.1
215.17993	2.8
217.15889	2.7
225.16435	1.5
227.17986	7.2
229.19460	9.3
231.17462	5.4
237.00653	1.2
241.19472	5.5
243.21094	15.0
257.22769	1.2
259.24203	3.1
269.22650	44.0
287.05463	14.4
287.12854	5.3
287.16516	5.7
287.20239	4.7
287.23685	100.0
292.88321	1.1
303.04849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45195	1.4
50.58517	1.5
55.01868	4.4
55.05507	6.3
56.27771	1.6
58.67183	1.5
60.52151	1.4
65.03943	1.8
67.05514	13.0
69.03430	3.6
69.07074	15.1
69.11766	1.6
69.95300	7.1
71.04993	11.0
72.78409	1.4
79.05502	16.6
81.06591	2.6
81.07057	38.9
83.04989	17.3
83.08630	5.0
85.06542	8.3
91.05491	14.0
93.07046	60.6
93.07636	3.2
95.04974	12.7
95.08614	38.6
95.11729	1.5
97.06541	26.6
99.04467	23.1
105.07043	31.1
107.04935	4.6
107.08591	25.5
109.02855	1.5
109.05823	1.7
109.06530	28.2
109.10149	6.4
111.04443	3.0
111.08083	22.1
113.05988	5.0
119.08598	16.5
121.06512	76.0
121.10144	6.6
123.04423	3.8
123.08076	5.4
123.11727	9.4
125.06007	13.3
127.03889	3.2
127.07578	7.6
129.07008	3.3
131.08583	4.3
133.06535	3.6
133.10129	20.8
135.04428	3.7
135.08078	11.7
135.76628	1.5
137.05943	3.0
139.07570	17.5
141.05464	2.7
142.07800	3.1
143.07010	9.1
143.08566	5.2
145.10089	5.0
147.08047	2.8
147.11693	46.0
149.09654	2.2
149.13252	2.7
151.11183	6.4
157.08618	12.0
157.10135	15.6
159.06552	13.5
159.07846	2.1
161.09590	1.7
161.13206	10.4
163.14815	1.8
165.12778	17.8
166.07762	2.0
169.12234	20.3
171.11665	13.1
173.08186	1.9
173.09650	3.3
173.13290	1.7
175.09773	3.0
175.11200	35.1
181.10127	4.5
189.12740	22.6
193.12274	31.4
199.11197	24.9
203.47037	1.8
207.13805	18.6
211.13306	29.6
217.12262	88.8
225.14709	2.0
229.14365	14.3
235.13309	100.0
253.14375	69.1
271.15302	3.5
289.05960	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96353	2.0
53.00183	2.1
53.03944	6.3
55.01868	10.0
55.05512	29.0
57.03434	2.4
57.07073	4.2
59.05001	3.3
65.03958	2.5
67.05510	28.4
69.03432	12.1
69.07059	8.2
69.60905	14.3
69.69299	2.0
70.06591	3.8
71.05000	15.1
79.05067	4.0
79.05501	40.7
81.03432	20.2
81.06593	2.9
81.07063	44.1
83.04992	30.5
83.08624	4.0
84.04508	4.7
85.02910	20.5
85.06548	4.6
86.06067	4.7
86.09704	4.1
87.04474	20.0
88.04816	2.2
91.05484	21.9
93.07053	23.9
95.04960	13.5
95.08619	12.8
97.02888	6.9
97.06524	17.1
97.10142	3.9
98.06057	8.3
98.20798	3.1
99.04475	27.9
99.06435	3.2
99.08100	5.0
101.06025	34.0
103.03961	11.8
105.07039	31.8
107.04973	8.8
107.08581	11.9
109.02907	16.3
109.06524	12.6
109.10177	2.8
111.04457	30.3
111.08084	4.3
113.06012	7.9
115.03939	11.0
117.07025	9.3
119.04936	3.6
119.08562	13.0
121.06510	9.9
121.10152	25.0
123.04433	3.8
123.08078	30.5
125.06020	5.3
125.09643	20.8
127.03925	50.5
127.07564	6.0
128.06207	2.0
129.05518	19.7
129.06985	24.0
130.08693	3.0
131.08554	10.7
132.82178	2.2
133.06508	14.2
133.10155	8.9
135.04361	5.0
135.08098	4.5
137.05992	51.8
137.09558	2.8
139.07547	4.5
139.11194	6.1
142.07777	2.9
143.08563	9.1
145.04947	4.8
145.08575	2.2
145.10168	10.1
147.06485	4.5
147.08081	5.1
147.11722	21.3
149.02356	5.9
149.05948	2.5
149.09648	4.4
151.07568	12.4
153.01819	5.1
155.07047	18.9
155.08363	4.3
157.10144	22.3
161.09630	7.0
161.13258	10.0
165.12790	2.3
167.07007	2.6
171.08041	2.7
171.11705	52.5
173.09604	9.0
173.13281	8.4
175.11159	15.6
181.10106	7.4
184.13193	2.3
187.06073	6.4
189.12766	47.8
193.12230	27.5
196.09955	2.1
199.11203	23.2
207.13789	18.4
211.13240	2.4
215.07036	3.7
217.12260	87.3
235.13310	100.0
243.06587	3.5
253.14330	91.6
271.15237	12.9
272.18604	5.4
274.03250	2.1
280.06284	2.2
289.07166	3.1
289.11353	5.3
289.18509	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	289.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01868	9.1
55.05266	2.9
55.05515	26.4
57.03439	3.7
59.05000	4.1
67.05509	29.3
69.03427	13.9
69.07076	10.8
69.48145	15.7
70.06599	5.0
71.04999	11.8
72.08160	2.0
73.02933	3.2
79.05498	35.6
81.03043	2.2
81.03428	21.1
81.07063	45.6
82.07368	2.0
83.04994	24.6
83.08629	4.9
84.04504	4.1
84.08121	2.5
85.02907	19.0
85.06530	6.1
86.06063	3.6
86.09700	3.2
87.04471	21.0
91.05492	22.0
93.07054	25.7
95.04973	13.6
95.08614	13.3
97.02898	10.3
97.06540	16.0
97.10162	5.5
98.06047	9.2
99.04467	26.1
99.06393	3.4
99.08097	4.6
101.06018	39.1
103.03931	10.8
105.07040	37.8
106.05025	3.5
107.04945	7.1
107.08627	10.7
109.02876	14.6
109.06527	17.6
109.10143	2.3
111.04449	30.2
111.08073	3.2
113.06015	8.2
115.03931	14.4
117.07025	7.7
119.04913	2.6
119.08604	11.5
121.06491	11.5
121.10142	24.6
123.04485	5.0
123.08080	33.9
123.08947	2.9
125.05975	6.4
125.09637	25.0
126.05510	2.4
127.03918	49.9
127.07572	9.7
129.05504	18.9
129.07010	25.1
130.08675	2.2
131.08574	11.0
133.06462	14.3
133.10127	11.3
135.08069	6.0
137.05980	53.3
137.09596	3.6
139.07547	5.0
139.11163	3.2
143.08566	12.4
145.05003	8.0
145.06465	2.9
145.08667	3.4
145.10127	7.5
147.06558	7.1
147.08029	5.8
147.11688	20.4
149.02321	3.6
149.06006	4.1
149.09613	5.8
151.07535	13.0
153.01833	7.0
155.07053	15.6
155.08192	2.6
157.10129	17.9
161.09596	3.9
161.13281	7.3
169.10063	2.4
171.08067	2.5
171.11707	47.7
173.09616	8.2
173.13246	6.0
175.11121	16.8
175.96867	1.9
181.10114	4.5
187.06029	6.1
189.12749	48.5
189.50067	1.9
191.10748	2.4
193.12245	22.5
199.11188	25.4
207.13820	18.3
215.06946	3.7
217.12245	86.1
217.14333	4.5
227.14377	2.0
228.16023	4.9
229.05042	2.3
235.13286	100.0
243.06490	4.0
253.14304	76.5
271.15414	9.1
272.18597	8.7
289.11499	4.9
289.15115	2.9
289.18430	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	289.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.7
55.01889	4.6
55.05505	8.4
57.03428	5.6
57.07056	3.3
58.99588	1.8
59.05024	2.1
59.24500	1.6
59.83908	2.0
60.04536	2.1
67.05507	18.8
69.03428	28.1
69.07063	13.1
71.05001	17.2
71.51938	3.0
73.02927	4.1
79.05486	21.1
81.02988	2.8
81.03425	32.7
81.07059	35.2
83.04993	14.1
83.08621	7.3
84.04507	3.0
85.02910	39.0
85.06540	5.7
86.09706	3.7
86.99088	3.7
91.05479	22.9
93.07047	51.9
95.04973	12.2
95.08611	30.2
97.02895	29.6
97.06532	25.3
99.04461	64.3
103.03943	22.8
105.00076	2.9
105.07034	35.3
107.04945	6.4
107.08588	31.6
109.02876	30.2
109.06519	28.5
109.10141	5.7
111.04440	3.2
111.08070	20.2
113.06000	5.0
117.07001	3.9
119.05008	2.1
119.08614	21.3
120.08099	2.9
121.06508	67.7
121.10126	10.6
123.04425	6.2
123.08078	8.4
123.11705	10.0
125.06039	9.9
125.09704	2.2
127.03920	100.0
127.07552	6.0
129.07011	3.8
130.06535	2.2
131.08559	7.0
133.06464	4.2
133.10129	18.5
135.04402	4.3
135.08044	13.6
135.11786	2.4
137.05962	4.8
137.09630	2.9
139.07544	19.3
141.05466	3.4
141.07025	3.1
143.07043	7.9
143.08560	5.4
144.02513	2.0
145.04974	14.3
145.06346	2.2
145.10156	10.7
147.04355	2.3
147.08040	6.2
147.11691	38.0
149.05978	3.2
149.09637	7.5
149.13252	3.4
151.07550	2.9
151.11168	18.0
153.01855	4.1
153.09114	2.1
155.08536	3.6
157.06465	2.2
157.08609	9.9
157.10144	12.3
159.06549	12.5
159.07713	2.0
159.09148	2.1
159.11815	2.6
161.09648	3.0
161.13275	10.3
162.05501	4.7
163.03938	3.5
163.11180	6.0
164.07082	3.4
165.09050	2.3
165.12743	13.8
166.07759	2.5
167.10625	2.4
169.10167	2.7
169.12230	15.3
171.11684	14.4
173.09650	5.7
173.13333	3.0
175.11185	23.9
181.04987	3.7
181.10197	5.3
183.11687	3.5
186.02307	2.7
186.09117	18.9
187.06042	12.0
189.12726	18.7
191.08171	3.7
193.12271	26.8
199.11212	20.7
207.13863	17.5
211.13289	30.1
217.12242	78.2
225.12683	2.4
229.14322	9.1
235.13293	71.6
243.13779	4.0
253.14337	47.0
260.34769	2.3
271.10727	4.4
271.13184	3.0
271.17209	3.0
289.06213	8.1
289.11740	15.3
289.14694	8.8
289.18008	15.2
289.21292	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	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
50.04480	1.1
53.03936	3.2
55.01871	9.2
55.05511	47.6
55.73391	1.1
57.03196	1.5
57.03437	18.0
57.07056	2.5
59.04986	1.7
67.05505	28.8
69.03426	6.7
69.07069	15.2
69.78957	5.9
71.04995	2.9
79.05497	36.0
81.03407	3.5
81.07056	28.9
83.04982	8.7
83.08619	23.0
85.06537	2.1
91.04902	2.1
91.05481	42.9
93.07044	21.8
95.04957	5.8
95.08611	13.8
97.06525	5.1
97.09563	1.8
97.10174	27.0
98.21494	2.0
99.08080	1.6
99.43031	1.1
102.50037	1.1
103.05461	2.1
105.03374	1.4
105.04521	1.0
105.07033	46.4
107.04974	13.3
107.08594	20.7
109.02917	1.4
109.06523	7.0
109.10155	9.9
111.04433	1.4
111.08047	3.3
113.06004	1.3
115.05447	10.0
117.07020	49.9
119.04939	1.1
119.08582	46.0
120.74110	1.2
121.06527	8.5
121.10140	6.2
123.04432	1.7
123.08070	4.3
125.09639	20.0
127.03900	3.4
128.06242	1.9
129.06982	7.6
131.04965	1.6
131.08568	17.6
133.06511	3.4
133.10136	25.2
135.08041	16.6
135.11684	2.0
137.09630	2.5
141.06952	3.6
142.07770	2.8
143.08577	12.2
145.06485	63.3
145.09044	1.8
145.10120	19.8
147.08035	12.2
147.11684	18.3
149.05957	2.7
149.09555	3.8
153.09041	4.8
155.08543	5.8
156.09200	1.2
157.10136	9.9
159.08060	31.1
159.11693	7.5
160.03957	2.5
160.08917	1.3
161.09589	5.4
161.13266	5.4
163.07518	4.8
163.11151	3.3
169.10146	6.7
171.10246	2.3
171.11682	7.3
173.09601	7.7
173.13321	6.6
175.07481	1.8
175.11226	2.5
177.09100	4.7
177.12704	2.8
183.11687	5.0
185.09691	2.3
185.13257	2.0
187.11188	2.1
187.14790	1.6
188.08340	1.2
189.11197	16.7
189.12756	3.1
191.10628	1.3
193.12181	1.3
195.28731	1.2
197.13199	3.3
201.12766	1.5
211.14877	1.7
215.14284	4.2
215.17966	3.1
217.12201	2.1
225.16316	6.3
227.14384	1.1
229.15869	1.8
233.15370	9.0
235.14751	2.0
239.17914	4.0
243.17438	11.2
247.16927	1.6
253.15849	8.3
257.19061	12.2
261.18503	3.3
266.13141	1.4
271.16931	100.0
278.97614	1.3
284.14096	2.0
289.17941	77.9
289.21567	59.0
305.00040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1798
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
53.03943	1.9
55.01873	7.8
55.05514	40.9
57.03444	8.1
57.07068	3.6
59.04996	1.7
67.05505	19.5
69.03424	3.7
69.07066	9.7
70.06590	1.4
71.04994	1.7
71.52928	1.7
71.53336	1.2
79.05493	26.3
81.07055	20.6
83.04995	2.6
83.08618	16.0
85.02896	1.2
85.06573	1.2
88.07646	7.0
89.07966	3.4
91.05486	15.5
92.05840	1.1
93.07052	13.8
93.26770	1.1
95.04994	1.7
95.08608	7.5
97.06538	1.5
97.10168	20.5
101.09658	1.3
105.07043	5.8
106.08673	11.0
107.04951	2.3
107.08538	17.0
109.06493	2.2
109.10143	6.7
111.08087	1.9
115.05462	11.1
117.07022	61.2
119.08591	15.8
121.10138	1.5
123.08113	1.2
125.09639	15.2
127.03933	4.9
128.06242	2.6
129.07045	5.7
131.08562	9.4
133.06500	1.6
133.10135	3.7
135.08040	7.9
135.11603	1.3
137.09579	1.2
141.06989	2.4
142.07823	2.7
143.08556	14.2
145.06490	66.6
145.10132	7.0
147.08070	3.4
147.11748	1.9
149.09674	1.6
153.09122	4.3
155.08578	3.4
157.10156	9.9
158.10857	1.2
159.08086	5.6
159.11748	2.6
161.09615	2.0
161.13335	1.2
163.07555	3.2
169.10126	5.8
173.09639	3.0
181.10033	1.5
183.11714	3.2
185.13213	1.6
187.14821	1.4
189.11234	7.7
193.10074	1.2
197.13313	2.7
211.11305	1.4
211.14919	1.5
215.14342	3.5
225.16383	8.9
228.20407	1.7
235.14702	2.6
243.17448	7.8
243.21085	1.4
253.15939	9.4
261.11328	1.1
271.16937	100.0
289.18018	22.5
289.21622	13.3
289.25296	2.3
289.26044	2.2
289.29169	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	289.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01865	1.1
55.05241	0.8
55.05514	15.5
57.07061	2.2
59.04992	1.1
59.05266	0.7
63.71548	0.7
67.05508	19.0
69.06727	1.2
69.07070	13.8
70.97599	1.4
71.04985	1.2
72.26830	0.7
73.06551	1.2
79.05498	18.2
79.51289	0.8
81.03442	0.8
81.07058	21.3
83.08616	8.2
85.06531	2.9
86.90912	0.7
91.05486	37.2
93.07056	15.6
95.04955	1.8
95.08613	17.7
97.06544	1.3
97.10168	3.4
103.05453	2.5
105.07038	56.4
107.08593	11.0
109.06518	1.2
109.10175	7.4
111.08092	1.4
111.11713	1.4
115.05444	1.4
115.07621	0.9
117.07026	12.2
119.08585	44.1
121.06493	0.9
121.10158	7.2
123.08099	1.1
123.11687	2.2
127.03920	2.1
129.06949	3.6
130.07706	0.9
131.08580	13.4
132.09341	1.0
133.03470	3.1
133.10139	33.8
135.08047	1.6
135.11676	3.2
141.06960	1.1
143.01820	0.8
143.08563	2.7
144.09378	0.8
145.10129	15.9
147.08124	0.8
147.11697	24.5
149.09663	1.2
149.13289	1.6
151.11209	1.3
155.08560	1.9
156.87144	0.8
157.10130	4.5
159.08095	1.1
159.11708	15.8
161.02933	1.1
161.09615	1.2
161.13261	8.3
163.07605	1.4
163.11174	1.3
165.12016	0.7
169.10112	3.1
171.11653	4.3
173.13263	9.4
175.04514	1.4
175.14873	2.4
183.11713	3.2
185.13287	1.5
187.11249	1.1
187.14806	1.4
187.92815	1.2
188.92470	1.7
197.13167	3.5
201.12730	1.2
209.73253	0.8
211.04512	1.1
211.14815	1.2
211.82452	0.8
215.14417	1.3
215.17924	2.4
217.05504	1.1
229.19533	1.2
233.15590	0.9
239.17957	6.4
243.95639	1.1
244.95303	1.5
257.19028	10.4
289.21631	100.0
290.08099	4.3
294.64001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2161
Annotation	Pipataline
Peak:m/z	Relative Intensity
53.03944	1.5
55.01865	1.1
55.05241	0.8
55.05514	15.5
57.07061	2.2
59.04992	1.1
59.05266	0.7
63.71548	0.7
67.05508	19.0
69.06727	1.2
69.07070	13.8
70.97599	1.4
71.04985	1.2
72.26830	0.7
73.06551	1.2
79.05498	18.2
79.51289	0.8
81.03442	0.8
81.07058	21.3
83.08616	8.2
85.06531	2.9
86.90912	0.7
91.05486	37.2
93.07056	15.6
95.04955	1.8
95.08613	17.7
97.06544	1.3
97.10168	3.4
103.05453	2.5
105.07038	56.4
107.08593	11.0
109.06518	1.2
109.10175	7.4
111.08092	1.4
111.11713	1.4
115.05444	1.4
115.07621	0.9
117.07026	12.2
119.08585	44.1
121.06493	0.9
121.10158	7.2
123.08099	1.1
123.11687	2.2
127.03920	2.1
129.06949	3.6
130.07706	0.9
131.08580	13.4
132.09341	1.0
133.03470	3.1
133.10139	33.8
135.08047	1.6
135.11676	3.2
141.06960	1.1
143.01820	0.8
143.08563	2.7
144.09378	0.8
145.10129	15.9
147.08124	0.8
147.11697	24.5
149.09663	1.2
149.13289	1.6
151.11209	1.3
155.08560	1.9
156.87144	0.8
157.10130	4.5
159.08095	1.1
159.11708	15.8
161.02933	1.1
161.09615	1.2
161.13261	8.3
163.07605	1.4
163.11174	1.3
165.12016	0.7
169.10112	3.1
171.11653	4.3
173.13263	9.4
175.04514	1.4
175.14873	2.4
183.11713	3.2
185.13287	1.5
187.11249	1.1
187.14806	1.4
187.92815	1.2
188.92470	1.7
197.13167	3.5
201.12730	1.2
209.73253	0.8
211.04512	1.1
211.14815	1.2
211.82452	0.8
215.14417	1.3
215.17924	2.4
217.05504	1.1
229.19533	1.2
233.15590	0.9
239.17957	6.4
243.95639	1.1
244.95303	1.5
257.19028	10.4
289.21631	100.0
290.08099	4.3
294.64001	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
50.92754	1.3
55.05507	12.4
57.07066	5.0
67.05510	17.8
69.06734	1.8
69.07073	23.2
70.16493	4.2
71.04980	1.2
71.08639	1.8
79.04869	1.1
79.05486	7.9
79.60591	1.0
81.06593	2.0
81.07060	36.4
83.08623	10.2
85.06550	1.8
90.97305	1.0
91.05478	8.5
93.07045	23.8
95.08614	54.0
97.06528	8.3
97.10179	5.7
99.08105	2.2
105.07033	18.9
107.08598	36.6
109.10163	41.4
111.08055	1.5
111.11749	2.9
117.06981	3.4
119.07807	2.0
119.08589	25.9
121.10152	33.2
123.11724	23.4
125.09641	3.1
131.08575	9.4
133.10136	18.4
135.11690	21.6
137.09708	1.1
137.13266	16.2
137.96919	1.0
139.11189	1.1
145.10120	14.6
145.85532	1.2
146.46378	1.1
147.11705	18.5
149.13264	24.6
151.11130	2.5
151.14816	3.2
157.10080	1.4
158.10886	1.5
159.11705	18.8
161.13286	21.2
163.14845	29.5
165.12764	3.4
173.13264	13.3
175.14845	19.0
177.16388	9.7
179.14328	3.5
186.13930	1.3
187.14827	10.7
189.16386	13.0
191.17953	32.6
193.15880	4.9
196.05092	1.1
201.16405	14.9
203.18018	4.0
205.15944	3.7
205.19513	2.4
207.17451	4.4
215.17964	20.2
217.19490	3.1
219.17429	10.1
229.19528	7.6
231.21100	14.8
233.19078	4.4
243.21037	3.2
245.22734	6.5
259.24127	1.6
261.25714	1.5
271.24213	63.3
289.25275	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.03428	9.5
60.04529	19.1
69.03431	4.4
69.07061	5.5
70.06596	6.2
71.39536	4.1
74.06071	6.4
79.05489	13.7
81.03400	2.8
81.07047	22.1
83.04970	2.6
83.06102	4.4
84.04512	20.8
85.02908	100.0
86.06061	4.5
86.09704	33.2
87.04459	3.3
87.05590	4.4
96.07570	3.8
96.08137	46.9
97.06531	20.4
100.07621	5.6
102.05518	5.4
105.06975	2.8
107.05015	3.0
112.07593	7.9
113.07111	4.7
124.07590	23.0
125.05079	3.0
125.06001	56.4
128.04248	4.1
128.10759	2.6
130.04971	3.0
131.03363	8.4
131.08170	31.1
132.10196	16.5
142.07588	4.9
142.08641	82.8
143.07042	5.6
144.93958	2.4
148.05986	3.4
159.07672	33.9
160.09700	45.1
173.12773	3.0
194.97383	5.0
200.08900	2.6
201.12401	3.0
208.09683	5.5
212.98462	5.3
217.99004	4.0
219.13399	8.4
226.10750	32.8
244.11777	4.3
249.00871	4.6
254.10149	3.6
272.11325	96.5
288.72495	2.7
290.12466	7.7
293.74747	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	290.1712
Annotation	Leu-Ala-Ser
Peak:m/z	Relative Intensity
53.03933	0.9
55.01874	1.7
56.05021	0.7
57.03428	3.1
57.90564	0.6
59.35855	0.7
60.04526	1.5
61.02921	2.7
62.31450	0.6
69.03439	8.9
69.07056	0.8
69.24777	0.6
69.25063	6.3
70.06590	3.9
71.01359	0.6
72.08140	3.6
72.93801	0.6
73.02568	0.6
73.02916	4.5
74.06091	2.8
81.03415	2.6
83.04980	1.0
84.04517	1.6
84.08125	1.9
85.02908	19.3
86.03230	1.1
86.06061	2.4
86.09708	100.0
87.04479	1.1
88.04005	1.1
91.03954	0.8
97.02897	8.2
97.06562	0.7
98.20805	1.6
98.97575	2.0
99.04453	2.4
100.07641	1.3
101.00869	2.3
101.02328	0.9
102.05593	0.9
103.03922	0.8
106.05034	2.3
109.02888	1.5
110.01302	1.5
110.06112	0.9
111.02928	0.7
116.07107	1.1
119.01910	4.5
120.02030	2.5
127.03917	9.7
128.04271	3.0
128.07077	0.9
128.98615	0.8
131.01878	2.4
131.08302	0.8
132.98010	0.7
133.03471	1.8
134.03595	1.0
134.95839	0.8
137.05869	0.8
138.05463	0.9
140.02426	1.0
143.01973	1.3
143.11760	1.0
145.03510	0.8
145.04973	3.7
145.09781	1.1
146.03578	0.8
148.97432	0.9
155.02882	1.3
157.13365	60.2
158.06654	0.7
158.99713	0.9
161.02895	3.3
162.03189	0.9
171.01360	0.7
173.02948	2.0
173.09247	2.0
173.12834	1.6
176.96933	4.4
177.00822	1.1
179.04085	2.0
185.03006	0.9
185.12862	29.2
186.96924	1.3
187.07175	2.2
188.96974	3.2
189.02541	1.2
190.02855	0.8
191.03883	6.5
191.10432	0.8
200.02527	2.2
200.04451	10.2
201.12386	3.2
202.06108	0.9
203.04044	1.7
206.98062	1.1
218.98026	1.4
219.01759	1.1
219.13365	3.3
220.03700	0.9
221.04968	0.8
230.02234	1.3
231.03586	0.9
236.99142	2.5
245.05074	1.3
248.03194	1.5
272.11386	1.1
272.15933	4.8
279.00153	1.2
290.14651	1.1
297.01163	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	290.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.9
56.05029	1.7
58.06590	1.4
60.04528	1.6
62.06096	19.3
63.40465	0.7
64.25623	0.7
67.05515	4.6
69.03422	1.0
69.07074	3.6
70.06599	4.7
70.13654	3.4
71.04996	1.6
72.04521	10.4
73.02887	0.9
74.06090	1.5
79.05499	4.4
80.05008	2.1
81.03425	3.9
81.07067	9.5
82.06583	2.8
83.04967	2.3
83.08623	2.7
84.04510	6.3
84.08118	0.8
85.02905	1.6
86.06067	1.8
86.09721	0.9
88.07643	4.5
91.05464	3.3
92.23915	0.7
93.07054	5.0
94.06541	1.3
95.04961	2.2
95.08601	4.7
96.08145	1.3
97.06523	2.5
97.10160	0.9
98.06051	4.6
100.07619	4.9
103.03951	1.1
105.07031	2.8
107.08607	2.3
109.06514	0.8
111.08011	0.9
112.07629	1.9
114.05533	1.8
114.09160	2.2
116.07090	4.7
119.08549	1.9
121.10118	2.6
124.07581	1.3
126.05526	1.6
127.03909	0.9
129.06932	0.9
131.08543	1.7
133.10114	1.2
138.12778	1.7
140.07048	0.8
147.11679	1.3
149.09598	2.1
157.10022	1.2
172.12033	1.0
175.11255	1.3
182.15384	3.4
192.13911	1.1
193.12251	3.5
195.13922	1.1
198.14925	0.8
210.14911	28.4
211.13300	11.8
212.16765	0.8
218.08226	1.2
218.12444	0.8
218.15367	1.3
226.17993	3.7
228.15967	60.7
236.13580	1.6
236.16461	2.0
244.19113	3.9
246.07582	1.9
246.17047	20.7
254.17470	8.1
272.18588	100.0
290.19492	3.1
298.47675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61102	11.9
55.01884	17.0
55.05508	18.0
56.96577	18.4
57.37409	10.5
67.05525	19.8
69.03434	25.1
69.07065	23.4
69.56127	80.7
70.06604	32.9
71.05002	19.7
72.08152	12.5
79.05493	15.2
81.07029	16.0
83.08662	12.7
84.08147	15.4
84.96068	13.7
85.02916	48.7
86.09720	38.3
87.10061	19.7
91.05468	18.0
93.07076	26.1
95.04920	13.8
97.02939	19.8
98.97582	17.8
101.00873	13.1
105.07011	14.8
107.08622	17.8
109.06449	11.9
111.08096	15.8
116.98602	16.2
119.01933	29.2
121.10188	22.9
127.03925	25.6
129.05444	14.9
131.01866	17.7
143.01889	15.3
143.11841	15.3
149.05984	39.2
151.07524	14.0
151.73756	13.0
158.11815	34.0
161.02986	14.1
163.03914	16.9
174.13142	20.2
175.07608	19.9
177.00710	13.4
187.14598	13.3
189.02522	23.2
203.06931	13.3
217.08972	11.5
227.07083	24.4
229.08644	16.2
231.03685	13.8
231.06528	18.0
235.96294	12.2
245.07982	31.6
273.07861	21.2
288.71176	11.9
291.01093	31.0
291.08496	100.0
291.13275	18.0
291.19373	23.8
291.23282	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	291.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	2.2
69.84933	6.1
69.91583	1.3
70.99853	1.6
82.99820	7.6
85.01413	2.3
85.74385	1.5
97.02917	1.3
101.00888	74.0
103.00644	7.7
103.02432	3.2
104.10736	1.9
111.54000	1.4
113.00877	13.4
115.02440	10.0
119.01929	100.0
120.01975	1.5
121.01649	8.4
126.98778	1.7
127.02431	2.6
127.03900	1.5
131.01910	35.6
133.01640	1.7
133.03474	27.6
135.03221	2.5
137.02948	11.4
142.03484	1.7
143.00211	1.7
143.01897	26.5
144.99847	3.5
145.01659	2.5
145.03467	10.6
147.01433	1.8
147.05042	2.8
149.02982	6.3
151.04552	4.6
155.01903	3.1
158.35106	1.6
159.01389	2.9
161.02969	56.4
163.02739	2.2
171.01425	10.3
172.37619	1.5
173.02983	17.7
175.00919	4.5
177.02559	3.1
179.04210	2.7
187.00894	24.1
189.00783	3.7
189.02440	28.0
191.02351	2.6
191.04037	10.0
199.00937	8.2
201.00647	2.7
201.02428	2.8
203.04008	14.3
205.01965	11.1
207.03604	1.6
215.00407	2.7
216.99940	2.8
217.01949	29.7
219.01781	4.3
219.03577	4.2
221.05124	2.5
229.01987	10.0
231.01556	1.9
231.03539	6.0
231.78430	1.5
233.01430	5.5
235.03033	13.6
245.01463	2.3
247.03029	40.3
249.02419	2.0
249.04613	4.9
259.03058	9.7
263.02548	1.5
265.04071	12.7
273.04700	1.6
277.04065	72.3
291.05457	9.4
291.09488	7.4
295.05127	2.4
309.04767	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	12.0
56.05024	5.7
56.94820	5.7
56.96552	12.5
57.03429	19.0
61.02926	14.1
69.03429	64.1
70.06596	37.4
70.21937	12.5
70.22307	14.0
73.02901	19.1
81.03400	19.3
81.07009	5.9
82.99855	9.2
83.04980	6.7
84.04494	6.4
84.08145	11.0
85.02913	96.1
86.09714	32.5
87.10036	13.1
91.56666	6.4
92.95261	6.1
97.02891	55.8
98.21354	7.8
98.97586	10.9
99.04445	15.2
101.00886	71.8
103.02406	7.7
105.06991	6.5
109.02859	8.4
111.04462	8.2
112.46172	6.1
112.55019	5.4
113.00886	12.9
114.05533	14.0
115.02456	17.8
115.03929	7.5
118.06920	12.6
119.01925	82.1
121.01689	14.1
127.03947	40.9
128.07091	15.7
129.00284	5.7
129.05524	50.3
131.01909	23.0
133.03482	77.8
143.00136	7.5
143.01904	42.3
145.03476	24.2
145.04955	26.7
147.01376	12.5
149.02979	24.6
151.04543	7.2
155.01904	17.0
157.03505	10.0
157.13303	8.2
158.13687	13.8
161.02968	68.5
165.05789	9.7
166.80908	5.6
168.99785	6.1
171.01396	38.9
171.04958	7.5
173.02937	39.6
175.04550	9.1
178.96602	11.0
179.04015	49.5
185.03020	13.8
187.00764	6.6
187.04713	8.0
189.00838	8.1
189.02441	83.6
189.06071	15.1
190.96404	9.0
191.03941	29.2
201.02408	17.9
201.06778	26.7
203.04010	58.4
208.97394	6.6
210.07353	14.8
213.05965	9.0
217.02028	7.8
219.03476	14.7
221.05162	11.5
231.01683	7.4
231.03558	53.1
235.03011	7.2
249.04578	24.7
257.08813	9.1
259.12915	21.5
263.06137	6.8
265.04178	8.4
277.04123	11.7
291.05453	15.1
291.08441	100.0
291.13217	7.0
299.00540	11.8
299.09784	52.5
311.09747	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	291.0976
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
52.59335	1.2
64.97329	1.1
70.56456	4.5
81.07031	1.6
87.00819	1.6
88.04018	1.3
115.05443	3.4
117.05772	2.2
118.06532	10.5
129.06955	1.7
130.06534	100.0
132.08095	31.6
132.65652	1.3
142.06535	10.8
143.07323	2.8
144.08066	5.4
146.06009	19.9
156.02917	2.2
156.08105	4.4
157.07623	4.7
158.06003	2.1
158.08392	4.7
159.09184	86.5
160.07571	5.8
167.05951	1.6
169.07635	4.5
170.06026	30.5
172.07574	1.8
181.07597	3.3
183.09193	6.8
184.07578	19.7
185.07112	43.9
187.08673	3.3
188.07080	37.2
199.08760	3.1
200.07028	8.8
201.10220	13.0
205.09619	1.9
227.08150	45.0
227.10394	2.3
229.09683	2.4
231.07695	4.7
245.09233	91.7
255.07661	4.8
273.08746	11.7
291.09756	2.5
291.13336	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	291.1228
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
53.03937	2.2
54.19814	1.0
55.01886	5.9
55.05511	19.9
56.96562	1.1
57.03440	6.4
57.07071	1.6
59.05014	1.6
65.03933	2.1
66.98032	1.4
67.05508	23.7
69.03427	4.5
69.07068	21.9
70.64420	2.2
70.64783	2.4
71.05005	6.1
73.06543	1.3
77.03977	1.1
79.05497	30.8
81.03410	7.9
81.07057	34.2
83.04990	5.4
83.08629	6.2
85.06564	2.2
89.03905	1.4
91.05482	20.4
93.06481	2.2
93.07048	34.8
95.04969	9.1
95.08605	22.1
97.06531	16.4
97.10171	8.2
98.97610	1.7
98.98448	1.4
99.04432	1.3
103.05472	4.4
105.03372	1.9
105.07034	20.1
107.04952	26.8
107.08595	38.1
108.30244	1.0
109.06524	13.0
109.10163	15.6
111.08059	5.8
115.05433	2.2
117.03397	1.7
117.07023	6.9
119.04926	2.4
119.08592	19.8
121.06501	8.1
121.09328	2.2
121.10143	27.7
123.04427	1.9
123.08060	7.6
123.11747	6.0
125.09624	4.4
127.07584	1.1
128.05244	1.0
128.06177	2.5
129.07021	5.9
131.04933	5.8
131.08569	10.3
133.02866	5.4
133.06506	2.7
133.10123	9.6
135.04372	2.5
135.08063	13.9
135.11702	28.7
135.53879	1.3
137.09615	4.8
137.13255	1.9
139.07491	1.4
139.11130	2.3
141.06963	1.6
142.07785	2.0
143.08569	4.9
145.02873	3.0
145.06451	1.6
145.10089	9.3
147.04414	4.4
147.08055	7.1
147.11665	6.4
149.05884	1.4
149.09627	16.9
149.13249	8.1
151.03955	1.5
151.07516	3.2
151.11209	2.5
153.05563	2.0
155.32686	1.0
157.06551	2.2
157.10124	6.6
159.04420	3.8
159.08060	2.9
159.11702	4.4
161.02402	4.4
161.09660	6.4
161.13251	4.1
163.03909	9.3
163.11188	3.2
163.14848	3.5
165.05560	1.5
165.09042	1.7
165.12784	1.7
167.08557	2.4
167.10683	25.1
169.06468	1.4
171.04294	1.1
171.08017	1.7
171.11668	3.0
173.02362	3.7
173.06047	1.5
173.09660	2.3
173.13271	3.1
175.03946	2.0
175.11227	4.0
175.14751	2.8
177.05476	7.4
177.12724	1.9
177.16365	1.4
179.03453	7.9
179.10712	1.4
185.06064	5.2
185.13245	2.4
187.03915	2.0
187.07542	3.4
189.11188	2.1
189.12749	2.2
191.03400	100.0
191.14273	2.4
193.05054	1.7
195.08118	1.6
195.11746	1.5
195.13704	1.4
197.05965	2.2
199.03967	1.6
199.07617	2.0
199.14769	1.5
201.05627	1.1
204.04187	3.7
205.05022	6.0
207.13750	1.2
209.15201	1.6
213.05492	1.1
213.09070	2.8
213.12906	1.3
215.07033	12.4
215.10570	1.9
217.04991	7.8
217.15880	3.3
219.06541	1.9
227.17963	3.2
227.78694	1.2
229.08612	2.5
231.06630	2.6
231.17590	1.3
233.08090	83.2
233.15343	3.6
235.13280	1.1
235.16943	1.9
237.16264	1.4
241.08577	8.6
245.18983	2.6
249.18307	1.3
255.17461	4.6
255.21098	1.2
259.09662	57.1
261.12686	1.3
263.23721	1.7
270.13034	3.7
273.11163	3.6
273.15488	2.0
273.18512	24.8
273.22000	3.5
291.12518	1.8
291.19562	56.9
291.23184	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55199	1.1
51.08762	0.8
53.03943	2.6
55.01868	6.1
55.02081	0.9
55.05510	9.4
56.96563	2.2
57.03432	7.8
57.07070	2.1
59.05006	1.9
59.42916	0.9
61.02917	3.9
62.01604	0.9
64.09062	0.9
67.05168	1.9
67.05505	13.5
69.03434	3.6
69.07069	33.3
69.87608	5.3
71.04987	4.0
72.19524	0.9
79.05492	22.8
80.00139	0.9
81.03416	6.9
81.07059	19.4
83.04977	4.4
83.08624	2.9
85.06545	3.5
87.08099	1.9
87.99296	1.2
89.03909	6.7
91.05474	14.3
93.07039	13.5
95.04988	6.6
95.08601	9.5
97.02908	1.1
97.06532	90.4
97.10132	2.2
98.97581	2.6
99.04408	1.0
99.08054	1.3
105.07045	10.6
107.04962	19.5
107.08587	12.0
109.02882	3.2
109.06529	10.2
109.10165	5.5
111.08083	4.9
115.05419	1.4
117.03400	6.8
117.06977	5.5
119.04912	1.6
119.08588	9.3
121.06520	2.7
121.10139	8.2
123.04475	1.0
123.08067	3.7
123.11703	1.8
127.03931	1.8
129.05423	1.2
129.07036	3.6
129.09109	3.3
131.04964	2.9
131.08572	7.3
132.04167	0.9
133.02844	5.7
133.06474	3.2
133.10100	5.4
135.04411	9.7
135.08067	9.5
135.11685	4.9
137.05994	1.8
137.09654	2.4
141.06995	1.8
143.08571	4.3
145.02817	7.8
145.10088	6.9
147.04414	3.8
147.08067	4.3
147.11697	4.0
149.09628	10.3
149.13257	2.2
151.11186	1.2
152.79733	0.9
153.05464	1.3
157.06471	2.5
157.10155	3.8
159.04428	11.5
159.08052	1.9
159.11729	3.0
161.02347	32.5
161.06010	1.6
161.09654	4.4
161.13271	1.3
163.03908	55.8
163.11209	2.6
165.09229	1.1
169.06525	1.7
171.11719	3.2
173.02348	65.4
173.09673	1.1
173.13260	1.3
175.11226	2.1
177.05495	2.0
177.12701	1.4
179.03397	2.8
185.06032	4.3
185.13208	2.6
186.03163	1.9
187.03987	1.9
187.07617	1.2
187.14815	1.0
191.03381	20.2
193.01796	1.0
197.06085	2.0
199.14821	1.0
203.14427	1.4
205.04953	2.0
207.13959	1.2
213.09232	1.1
215.07028	100.0
217.04938	2.1
217.15862	2.6
219.13849	1.2
227.18048	1.4
229.08537	1.1
233.08080	18.9
235.13474	1.1
239.09618	1.2
241.08595	12.3
245.12869	2.8
255.17499	3.4
259.09641	27.9
260.09903	1.4
273.12354	6.3
273.15195	1.6
273.18521	12.3
291.12354	12.0
291.19586	47.0
291.23080	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	291.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20396	0.7
53.03938	1.2
55.01870	1.4
55.05513	12.6
57.03433	1.7
57.07070	2.6
59.04993	1.7
59.20839	0.6
61.50135	0.7
67.05508	47.6
68.99792	2.9
69.03435	2.3
69.07072	4.9
69.33674	3.7
69.34080	1.6
70.69215	0.7
71.04990	5.2
75.65327	0.6
79.05496	10.2
81.03420	2.2
81.07059	100.0
83.04996	3.2
83.08595	3.6
84.04507	1.2
85.02909	1.4
85.06553	7.8
87.00836	19.7
91.05478	8.2
93.07040	6.2
95.04990	3.5
95.08592	6.2
97.06544	1.9
97.10183	2.5
98.97581	2.0
99.04459	1.8
99.08094	1.0
100.11246	1.3
105.01865	4.9
105.07033	10.7
107.04975	1.8
107.08581	8.3
109.02885	2.1
109.06531	7.8
109.10152	8.1
111.04483	1.1
111.08098	2.0
115.24118	0.6
117.07073	1.0
119.08584	2.0
121.06509	0.9
121.10171	1.4
123.08116	1.5
123.11713	64.9
125.09642	0.7
127.03905	1.6
127.07622	0.9
129.07030	1.2
130.06548	0.6
131.08595	1.8
133.10138	19.4
135.08070	1.7
141.12749	27.0
143.08574	1.2
145.10156	1.3
147.04340	1.1
147.08101	0.9
147.11723	1.0
149.09653	0.9
151.11183	40.4
157.10167	0.8
159.13809	5.2
169.09976	0.8
169.12265	9.9
171.11671	0.8
173.13347	0.8
185.13448	0.7
187.13280	14.1
205.14474	0.9
213.12851	0.8
227.10826	0.8
227.12691	3.9
255.12373	3.0
270.12646	0.9
273.13388	2.9
273.18591	3.1
279.13162	1.5
291.16577	1.0
291.19644	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	7.1
55.01882	15.8
55.05273	3.8
55.05516	42.1
56.11907	1.8
57.03413	3.8
57.07069	2.2
57.59598	2.0
60.37043	1.9
65.03926	2.5
67.05191	2.4
67.05512	32.1
69.03415	4.7
69.07072	10.1
69.37579	12.7
69.38005	5.0
71.04975	5.6
77.03915	1.8
77.69663	1.8
79.05076	3.8
79.05499	54.4
81.03398	2.2
81.07067	53.2
83.04982	6.4
83.08619	17.0
85.06545	3.0
87.00359	2.1
91.05492	56.8
93.07047	27.8
95.04966	8.6
95.08619	21.0
97.06512	4.2
97.10179	22.5
105.03394	6.5
105.07044	23.9
107.04955	20.6
107.08613	23.0
109.06507	9.1
109.10152	12.9
111.08078	9.9
116.06250	2.2
117.07030	29.2
119.04979	3.4
119.08596	67.2
121.06524	12.4
121.10132	8.4
121.90721	2.0
123.08076	14.3
125.09640	19.7
128.06248	2.9
129.07013	11.6
130.07788	2.1
131.08578	28.5
133.06487	7.9
133.10170	9.9
135.08078	14.0
135.11696	4.2
137.09604	2.5
142.07784	2.7
143.08530	13.6
145.06517	2.5
145.10150	30.2
145.70679	2.1
147.08060	42.4
147.11700	5.8
149.09604	9.6
151.07564	26.8
153.09102	2.7
155.08533	2.2
157.10141	9.1
159.08067	5.1
159.11700	7.0
161.09595	10.2
163.11229	3.7
165.09116	4.7
169.10170	3.8
171.10265	4.6
171.11714	6.2
173.13269	2.8
175.11194	3.2
189.11214	13.5
189.12785	9.9
197.11691	4.0
199.11205	3.6
207.13817	21.2
217.15816	3.0
223.13252	3.7
227.18156	4.1
233.15341	2.8
237.16418	4.1
245.19055	7.0
249.14932	6.2
255.17435	10.6
273.18512	100.0
291.19565	96.9
291.22922	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.50981	0.9
53.03948	3.3
54.84949	0.8
55.01875	14.4
55.05513	12.1
57.03428	3.5
57.07075	1.0
59.05005	0.9
63.54980	1.1
65.03931	1.3
67.05511	22.4
69.03423	3.3
69.07074	25.2
70.14785	3.4
71.04995	3.7
77.03935	1.1
78.19381	0.8
79.05497	21.6
81.02986	1.5
81.03424	19.0
81.07056	17.7
82.76917	0.8
83.04983	11.1
83.08640	1.9
84.88398	0.8
85.02922	0.8
85.06548	1.8
88.07632	1.2
91.05489	24.2
93.07053	21.6
95.04969	10.3
95.08612	21.5
97.02885	1.0
97.06536	15.7
97.10183	1.6
99.04472	4.3
99.08085	1.5
105.07032	14.2
107.04963	71.7
107.08594	12.0
109.06539	10.2
109.10170	6.4
111.04449	18.8
111.08105	1.6
113.06046	1.4
117.07031	7.1
117.74716	0.8
119.08595	14.0
121.06516	10.5
121.10148	10.4
123.08047	6.8
123.11741	1.5
125.09648	3.1
128.06250	1.6
129.07007	5.1
131.08575	11.2
133.06467	4.2
133.10159	6.8
135.08067	13.3
135.11684	2.1
137.09624	6.9
139.07561	1.2
139.11127	1.8
143.08568	3.6
145.10121	6.0
147.08032	3.6
147.11687	4.4
149.09631	40.5
149.13324	1.5
151.07532	2.4
151.11154	1.9
153.09097	6.1
157.10107	3.9
159.08185	0.9
159.11713	5.2
161.09641	8.4
163.11214	5.1
167.10710	1.3
171.11696	3.9
173.09641	1.3
175.11180	6.3
177.09084	1.2
177.12715	3.2
179.10686	3.4
179.75638	0.9
185.09715	1.4
185.13290	2.3
187.11099	1.3
189.12758	2.6
193.12260	3.4
195.13756	1.0
199.11182	1.7
203.10657	1.4
205.12233	1.6
207.13960	1.0
217.12207	1.0
217.15948	1.2
221.11768	2.6
223.13147	1.5
227.18004	1.0
229.23540	2.4
235.13298	2.7
245.19070	2.7
249.14978	1.3
255.17450	2.0
263.19986	1.2
273.18500	20.0
291.19562	100.0
291.26944	7.5
292.19897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.36246	1.2
52.61639	1.1
53.03933	5.0
55.01873	13.6
55.05518	22.4
57.03444	11.9
64.24351	1.2
65.03944	6.8
67.05510	53.4
68.93083	1.1
69.03421	5.0
69.07073	11.3
69.84315	5.4
70.11235	1.2
71.04987	3.3
79.05499	49.0
81.03421	6.4
81.07063	70.9
83.04980	9.5
83.08630	6.7
83.86817	1.2
85.06535	4.3
91.05484	35.2
93.07048	29.4
95.04977	88.4
95.08624	15.1
97.06552	6.5
97.10160	4.1
99.08059	1.8
105.07045	25.8
107.04957	23.0
107.08602	21.3
109.06525	100.0
109.10164	5.7
111.08067	4.2
115.05473	4.4
117.07039	16.2
119.04865	1.3
119.08594	17.5
121.06498	10.7
121.10124	9.0
123.08076	5.8
123.11763	1.5
125.09632	3.0
128.06238	3.0
129.07028	10.2
130.07800	2.5
131.08592	17.6
133.06531	7.0
133.10152	7.6
135.08064	57.3
135.11703	6.8
137.06012	2.8
137.09648	2.9
141.06891	1.5
143.08562	8.9
145.06509	2.2
145.10130	15.7
147.08061	10.7
147.11708	3.5
149.05981	1.3
149.09645	14.4
149.13303	1.8
157.10121	7.4
159.07988	2.6
159.11696	7.9
161.09624	9.3
161.13216	1.5
163.11160	6.1
169.10049	1.6
171.11691	5.5
173.09665	1.5
173.13341	2.9
175.11211	3.4
177.12749	3.1
181.10161	1.5
183.11745	2.0
185.13229	3.4
187.11191	3.0
199.14893	2.3
201.12775	1.8
203.14288	1.5
217.15894	10.9
223.13428	1.6
227.17982	3.0
231.17300	1.4
237.16451	2.8
245.19101	4.6
249.14890	1.4
255.17451	4.4
273.18515	46.9
291.19565	70.2
291.26947	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	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.42995	0.9
53.03934	0.9
55.01859	2.4
55.05517	6.7
57.03421	1.6
57.07061	3.3
57.71937	0.9
59.04997	2.7
67.05495	6.3
69.03416	3.0
69.07064	1.9
69.25101	6.7
71.04984	3.9
79.05493	10.6
79.36416	0.7
81.03397	1.1
81.07053	7.6
83.04974	2.6
83.08622	7.2
85.02904	1.3
85.06538	2.8
91.05486	6.1
93.07043	12.5
95.04964	4.5
95.08608	17.6
96.80895	0.9
97.06540	5.6
98.20676	1.8
105.07026	10.3
107.04948	17.4
107.08585	10.1
109.06512	8.3
109.10164	3.6
111.08086	38.9
113.09616	2.7
117.06995	1.9
119.08589	8.4
121.06482	1.8
121.10146	7.8
122.07266	2.2
123.08075	33.5
123.11675	1.0
123.69310	0.7
125.09618	2.8
129.06960	1.1
131.08536	6.9
133.06500	3.7
133.10136	10.1
135.08044	7.0
135.11674	2.6
137.09619	3.6
141.05415	1.1
142.07788	1.0
143.08580	2.4
145.10115	6.3
147.08070	2.6
147.11731	5.5
149.09599	8.5
149.13304	1.3
151.07547	100.0
155.10640	4.2
156.09322	1.2
157.10170	5.1
159.08029	1.9
161.09633	3.9
163.11206	3.5
165.09116	1.2
167.10677	1.0
169.12256	1.0
171.11708	3.7
173.09691	1.1
173.13280	7.4
174.10391	1.7
175.11201	4.9
177.09108	2.4
179.10722	4.5
181.12218	2.1
185.13335	0.9
189.12744	29.5
191.14325	15.3
192.11456	4.2
197.11731	17.4
197.13283	1.9
203.14317	0.9
205.12082	0.8
207.13808	66.8
208.74844	0.8
211.13254	1.5
213.16405	1.9
215.14334	3.3
217.12239	3.2
231.17462	2.0
233.15376	48.6
235.13269	2.6
249.18585	2.4
255.17407	4.3
269.10593	1.2
273.18524	8.0
291.19550	74.3
301.18289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03936	1.4
55.01881	3.6
55.05267	0.8
55.05515	9.8
57.03416	0.7
62.78588	0.4
67.05196	0.5
67.05513	7.6
69.03429	1.2
69.07067	8.0
69.19035	2.6
69.19464	2.0
71.04980	1.9
72.63290	0.4
79.05074	0.8
79.05497	11.9
81.03425	6.5
81.07063	9.5
83.04996	2.6
83.08630	3.4
85.06544	0.9
86.56290	0.5
91.05487	11.8
93.06494	0.6
93.07053	10.6
95.04984	4.8
95.08613	5.9
97.06530	2.4
97.10165	5.0
105.04518	0.6
105.06400	0.7
105.07034	8.2
105.38541	0.5
107.04960	29.6
107.08597	5.2
109.06503	1.9
109.10170	3.6
111.08112	0.8
115.05350	0.6
116.06282	0.6
117.07028	5.7
119.04974	2.3
119.08584	10.8
120.05743	0.5
121.06488	2.9
121.10149	2.7
123.08064	1.8
125.09629	3.1
128.06178	0.9
129.07001	2.3
130.07814	0.5
131.08578	6.0
133.06512	4.0
133.10135	2.5
134.07277	1.1
135.08066	7.0
135.11690	1.0
136.73927	0.5
137.09616	2.1
139.07500	0.7
142.07738	0.5
143.08549	3.1
144.09291	0.5
145.10146	4.5
147.08061	6.9
147.11699	0.7
149.09627	13.6
151.07593	0.6
151.11238	0.8
155.10648	0.9
156.82535	0.5
157.10141	2.1
159.08086	0.8
159.11676	1.5
161.09567	2.4
162.10513	0.7
163.11160	1.9
165.09090	1.8
171.10225	0.5
171.11710	1.4
173.09575	0.6
173.11757	1.1
175.11235	1.9
177.12793	0.7
185.09607	0.7
189.11159	1.4
189.12715	0.7
213.16447	0.5
223.13300	1.9
227.17947	1.0
235.13254	1.2
245.19127	0.9
249.14839	1.6
255.17406	1.3
273.18503	11.0
291.19556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
53.03934	0.6
55.01875	1.7
55.05514	6.6
57.03418	0.4
57.07063	0.3
59.04979	0.2
62.59642	0.2
65.03945	0.3
67.05505	4.2
69.03438	0.9
69.07068	3.3
71.04990	0.7
77.03903	0.2
79.05493	5.4
81.03420	1.0
81.06598	0.3
81.07057	5.3
83.04969	1.3
83.08163	0.2
83.08625	3.0
85.06518	0.3
91.05482	5.2
93.07047	5.7
94.04166	0.3
95.04970	2.5
95.08608	2.6
97.02873	0.3
97.06502	0.8
97.10173	2.8
98.98434	0.2
101.09637	0.2
103.05470	0.3
105.04495	0.2
105.07030	4.9
107.04955	3.3
107.08598	2.8
108.05744	0.4
109.06528	0.9
109.10158	1.1
111.08085	0.3
115.05447	0.4
116.06209	0.3
117.07019	2.1
119.04937	1.1
119.08575	3.7
120.05732	0.5
121.06509	1.5
121.10157	1.2
123.08061	1.3
123.11671	0.2
125.09618	1.3
128.06223	0.3
129.07007	1.2
130.07756	0.5
131.08585	2.6
133.06499	2.7
133.10172	1.0
134.07301	0.9
135.08075	1.0
135.11670	0.4
137.09572	0.4
142.07785	0.3
143.08566	1.1
145.06477	0.4
145.10112	1.8
147.08047	3.2
147.11681	0.6
148.08844	0.2
149.09628	1.5
151.11223	0.2
155.08614	0.1
157.10133	0.6
159.08012	0.4
159.11690	0.8
161.09596	1.1
161.13321	0.2
162.10390	1.3
163.11082	0.7
165.09148	0.5
169.10110	0.2
171.11681	0.4
175.11142	0.7
177.12679	0.2
181.86388	0.1
185.13281	0.2
187.11154	0.1
189.11211	0.2
189.12778	0.4
193.12260	0.2
199.11201	0.2
201.12634	0.1
213.16368	0.1
223.13301	1.1
231.17468	0.2
237.16391	0.2
245.18881	0.3
247.11899	0.1
249.14870	1.9
249.18593	0.2
255.17577	0.2
261.14902	0.4
262.15741	0.3
273.18478	3.3
291.19534	100.0
292.19846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03957	2.8
54.27776	1.0
54.92183	1.2
55.01888	5.9
55.05511	17.8
57.03434	4.0
57.07065	2.2
58.09652	1.3
59.05005	1.9
61.98948	1.3
65.03948	1.5
67.05506	18.8
69.03429	4.8
69.07066	22.9
71.04977	5.0
78.00030	1.1
78.04680	1.3
79.05495	29.2
81.03422	8.1
81.07061	34.7
83.04979	5.6
83.08620	7.8
84.04524	2.0
85.06548	2.6
91.05482	23.3
93.07047	46.2
95.04981	11.8
95.08066	2.0
95.08617	24.2
97.06538	12.1
97.10158	5.6
98.98450	1.7
99.04460	2.1
99.08115	1.9
103.05455	1.6
105.03399	2.5
105.07037	27.5
107.04967	21.5
107.08602	26.6
109.02898	2.1
109.06516	23.4
109.10169	12.4
111.04487	1.3
111.08092	4.9
111.11732	4.4
113.05998	1.4
115.05437	1.5
115.75826	1.2
116.06302	1.5
117.07024	9.7
117.81031	1.2
119.08588	21.9
121.06500	6.5
121.10153	42.3
123.04397	1.3
123.08052	8.7
123.11700	5.3
125.09632	6.2
128.06212	1.5
129.07013	5.9
131.08586	15.7
133.06525	5.3
133.10152	13.9
135.08058	20.2
135.11694	11.0
137.09637	9.2
139.11200	5.3
141.06898	1.5
142.07784	2.2
143.08551	8.9
145.10121	16.4
145.11162	1.6
147.04414	2.2
147.08064	7.7
147.11684	11.1
149.09630	24.9
149.13263	5.6
151.04100	1.5
151.07585	4.0
151.11198	3.3
153.05504	2.7
155.08499	2.4
156.09334	1.8
156.84558	1.2
157.10149	11.2
159.08112	3.0
159.11685	7.3
161.09628	11.5
161.13293	2.8
162.10301	1.6
163.03905	1.8
163.11230	4.3
163.14876	2.9
165.09148	1.9
167.10686	100.0
169.10143	3.5
171.08124	1.3
171.11678	6.2
173.09660	3.7
173.13231	5.4
175.11179	10.1
175.14915	2.8
177.05515	1.4
177.12788	2.1
179.10690	4.0
182.10957	1.4
185.13283	2.5
185.88817	1.4
187.11189	2.8
187.14807	2.0
189.11252	1.4
189.12761	5.6
191.03413	18.9
191.10681	3.1
191.14313	3.5
195.11703	1.5
197.13367	2.4
199.11069	2.0
199.14836	1.8
205.12326	1.3
207.13858	3.4
209.11386	1.1
213.12848	1.2
213.16478	3.6
215.07062	3.8
215.14272	2.4
217.12218	1.7
217.15959	4.2
227.17918	2.8
231.17432	2.4
233.08043	14.7
233.15375	12.6
235.13373	2.2
235.16789	1.2
237.16423	3.5
245.19048	5.3
245.22778	2.2
247.16951	2.1
248.61121	1.3
249.18623	1.7
255.17357	7.0
259.09714	4.4
263.19907	1.8
273.18497	42.9
273.21701	2.1
291.19608	79.2
291.23163	13.3
291.26505	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03936	2.9
55.01667	0.8
55.01876	7.6
55.05275	1.3
55.05516	19.4
57.03426	2.7
57.07075	1.6
59.04993	0.9
65.03938	2.3
67.05508	21.1
69.03414	2.6
69.06730	1.1
69.07072	12.3
70.06593	1.9
70.21576	2.0
71.04974	2.1
75.28778	0.8
77.03921	0.8
79.05500	32.2
81.03429	5.8
81.07060	45.3
83.04984	5.4
83.08632	8.3
85.02890	1.0
85.06544	2.2
88.07635	1.9
91.05491	21.1
93.07053	20.9
95.04973	18.1
95.08067	1.1
95.08613	13.4
96.73508	0.7
97.06537	3.8
97.10175	8.1
99.04464	0.8
99.08123	1.1
102.09179	1.5
103.05460	1.0
105.03394	1.6
105.04475	1.0
105.07042	17.9
107.04968	10.8
107.08598	11.6
109.06525	10.4
109.10147	5.7
111.04446	2.2
111.08073	3.4
115.05479	2.3
116.06262	1.3
117.07022	15.1
119.04961	1.8
119.08588	25.1
121.06518	14.6
121.10136	8.0
123.07207	1.0
123.08080	13.3
123.11701	1.0
125.09632	6.3
128.06198	1.3
129.07030	7.1
129.07990	1.2
130.07774	1.5
131.08577	11.7
132.05710	0.9
132.11490	0.7
133.06496	4.0
133.10153	4.2
135.04414	0.9
135.08060	11.0
135.11684	3.8
137.09653	4.7
143.08571	5.6
145.06520	1.2
145.09048	1.2
145.10121	13.1
147.08061	13.1
147.11674	3.3
149.09608	6.3
151.07581	2.4
151.11232	0.9
153.09131	3.6
157.10165	5.3
159.08078	1.9
159.11668	4.1
160.88751	0.8
161.09634	6.4
161.13269	1.1
163.11192	10.8
165.09102	4.2
169.10112	1.2
171.10248	1.1
171.11664	2.9
173.09705	1.0
175.11208	2.9
185.09612	1.1
185.13249	2.5
187.11137	1.8
189.11235	3.5
189.12755	1.5
193.12312	2.6
195.11642	1.0
198.32686	0.7
198.88223	0.7
199.11243	1.4
207.13780	1.0
213.12711	1.7
213.16328	1.1
217.15709	1.5
223.13321	5.2
227.17949	1.6
229.23615	4.4
231.17520	1.0
233.15344	1.3
237.16399	0.9
244.65013	0.8
245.18983	2.3
249.14885	6.7
255.17395	4.7
263.20087	1.4
270.56454	0.7
273.15506	1.5
273.18503	29.6
291.19559	100.0
291.27060	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01870	2.0
55.05512	6.7
57.03435	1.1
57.07072	3.1
59.04990	2.3
67.05492	4.9
69.03425	1.7
69.07046	2.6
71.04996	3.5
71.26089	2.1
79.05495	7.3
81.03435	1.7
81.07073	6.9
83.04972	3.5
83.08612	4.9
83.51546	1.1
85.06529	2.2
91.05473	4.6
91.55025	1.1
93.07040	11.6
95.04970	4.6
95.08614	13.6
97.06524	4.4
103.05492	1.6
105.07056	10.9
107.04958	6.8
107.08610	9.4
109.06524	9.2
109.10130	4.3
111.04387	1.3
111.08086	26.5
113.09658	1.5
117.07050	2.7
119.08595	10.4
121.06512	2.0
121.10162	7.2
122.07275	1.5
123.08075	37.7
123.11679	1.7
129.07031	2.9
131.08560	7.8
133.06488	3.5
133.10161	8.4
135.08110	6.0
135.11703	5.6
137.09633	4.7
141.06982	1.6
142.07730	1.9
143.08583	4.2
145.10127	15.8
146.76207	1.2
147.08067	3.1
147.11725	8.1
149.09612	6.8
151.07553	100.0
153.09142	1.0
155.10626	2.6
156.09331	2.4
157.10114	4.8
159.11713	5.3
161.09633	4.5
161.13252	3.3
163.11192	6.1
169.10139	1.5
171.11710	4.7
173.09648	1.5
173.13246	6.9
174.10370	1.3
175.11227	6.1
177.09056	2.4
177.12788	1.8
179.10687	3.7
185.13202	2.6
187.11203	4.1
187.14833	1.7
189.12762	28.9
191.10696	1.4
191.14320	7.5
192.11444	4.6
193.12155	1.3
197.11745	19.3
197.13336	2.9
199.11180	1.6
203.14343	3.0
205.15913	1.5
207.13812	64.4
213.16412	2.1
215.14349	7.0
217.12238	4.1
231.17438	3.8
233.15367	22.7
249.18680	1.1
255.17468	4.0
264.07437	1.2
273.18530	13.6
291.19562	72.4
291.27008	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.74485	1.0
53.03942	2.8
55.01876	7.7
55.05505	6.7
57.03436	1.3
58.44929	0.9
67.05508	9.9
69.06732	1.6
69.07075	21.8
71.04979	1.7
79.05499	13.9
79.34671	0.9
81.02995	1.4
81.03426	20.9
81.07054	10.0
83.04984	8.3
83.08622	2.2
85.02875	0.9
91.05482	10.1
93.07049	16.3
95.04986	5.9
95.08617	12.0
97.06538	6.9
98.21649	2.1
99.04438	1.3
102.60715	0.9
105.04493	1.3
105.07038	11.5
107.04962	100.0
107.08607	8.9
109.06533	2.4
109.10146	4.2
111.04430	1.3
111.08099	1.6
115.05502	1.1
117.07025	2.9
119.08592	7.0
121.06517	5.9
121.10165	5.6
123.08071	2.2
125.09639	1.8
129.06995	3.0
131.08530	7.6
133.06514	3.2
133.10123	5.0
135.08051	4.3
135.11696	2.3
137.09619	3.8
143.08542	3.3
145.10143	3.4
147.08066	2.9
147.11734	2.1
149.09630	51.8
157.06377	1.1
157.10153	4.5
159.11723	3.0
161.09612	3.6
163.11250	2.1
166.15659	0.9
169.10149	1.1
171.11717	2.6
175.11180	5.2
177.12802	2.7
179.10710	1.6
183.27325	1.1
189.12816	1.6
199.11166	1.1
221.11705	2.4
223.13344	1.0
235.13226	4.8
245.19061	2.8
255.17406	2.6
263.20084	1.9
273.18491	10.5
291.19574	63.1
303.06601	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.76745	0.8
53.03948	2.1
55.01882	5.8
55.05495	3.8
57.07064	1.2
67.05519	8.7
69.03407	1.4
69.07070	12.6
69.18820	0.9
69.74962	5.0
71.04980	1.7
79.05496	10.3
81.03419	13.4
81.07066	8.3
82.50430	0.9
83.04986	7.0
83.08665	1.3
85.06544	1.2
91.05491	8.7
93.07045	9.7
95.04958	4.2
95.08611	7.4
97.06541	7.4
98.21487	1.7
105.07043	8.8
107.04961	100.0
107.08601	5.5
109.06496	1.7
109.10129	2.4
111.08019	1.2
115.05466	1.2
117.07014	3.7
119.08586	7.7
121.06540	5.6
121.10147	2.9
123.08084	2.3
128.06195	0.9
129.06992	3.0
131.08588	6.7
133.06485	2.9
133.10133	2.8
135.08057	3.6
137.09628	2.9
139.07529	1.3
145.10132	3.6
147.08066	3.4
147.11676	2.6
149.09628	49.7
157.06506	1.4
157.10135	3.7
159.11681	1.7
161.09645	2.8
163.11157	2.8
171.11681	1.9
175.11206	4.9
177.12758	1.1
182.56480	0.9
185.09602	0.9
203.10704	1.7
217.12221	1.1
221.11697	1.1
235.13324	3.5
240.30493	0.9
255.17546	2.2
273.18500	7.0
291.19562	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03935	5.0
55.01866	3.3
55.05511	24.3
57.03439	1.5
57.07067	6.8
65.03939	2.5
67.05505	41.9
69.07067	26.4
69.24101	13.7
71.04993	1.7
79.05494	78.3
81.03416	4.7
81.07058	58.0
83.04976	4.2
83.08614	11.7
85.06536	3.0
91.04914	2.1
91.05479	35.1
92.95831	1.4
93.07045	100.0
95.04977	7.9
95.08610	36.1
97.06524	4.7
97.10155	5.3
98.20802	3.1
98.98472	1.9
105.04494	2.1
105.07028	23.1
107.04953	18.6
107.08597	56.1
109.06525	6.2
109.10167	17.9
111.08084	3.5
111.11774	2.5
117.07013	6.3
119.06058	1.5
119.08569	18.3
121.06497	4.6
121.10148	46.5
123.04411	1.8
123.08054	5.4
123.11706	5.0
125.09639	3.3
129.07008	4.3
130.07838	1.9
131.08583	10.9
133.06497	2.2
133.10135	17.7
135.08055	6.6
135.11693	50.6
135.12712	2.9
137.09608	4.1
139.07544	1.6
143.08527	4.7
145.10110	9.1
147.08031	5.6
147.11700	13.6
149.09619	11.5
149.13261	29.2
151.07555	3.2
157.10126	4.2
159.11702	6.3
161.09630	5.2
161.13229	8.8
163.11215	5.7
163.14835	8.4
171.11707	5.3
173.13234	4.7
175.11156	2.2
175.14824	6.4
177.12741	3.2
185.13310	3.7
189.12758	2.9
191.14334	1.7
193.12195	1.9
195.13710	1.6
199.14928	1.8
203.10725	1.5
203.14333	1.9
207.13878	3.1
213.16324	1.8
217.16039	2.5
217.19482	2.6
221.15178	2.4
231.17316	1.8
235.16856	2.0
241.19519	5.4
249.18503	3.0
259.20560	10.7
262.77396	1.6
263.20026	1.9
273.18527	11.2
291.19556	46.1
291.23166	76.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02381	1.0
53.03936	4.2
55.01870	1.7
55.05268	1.4
55.05513	18.2
57.07064	2.0
59.04980	1.0
65.03928	1.9
67.05505	27.1
69.07075	15.8
69.48506	6.9
69.96871	0.9
70.39179	1.0
71.04992	2.3
78.08988	0.9
79.05495	56.0
80.23605	0.8
81.06596	1.9
81.07059	37.1
83.04993	2.4
83.08633	7.2
85.06530	3.6
91.05482	28.7
93.07047	83.7
95.04982	4.7
95.08610	28.0
97.06520	3.1
97.10173	4.6
99.08112	0.9
103.05450	1.0
105.04501	1.1
105.07037	16.1
107.04934	4.4
107.08601	48.6
109.06493	2.4
109.10164	15.4
111.08027	1.5
117.07004	5.5
119.07819	1.2
119.08590	18.5
121.06488	1.0
121.10151	43.3
123.08061	1.6
123.11695	4.7
129.06996	1.9
131.08614	5.6
133.10129	14.1
135.08073	2.0
135.11697	45.7
137.09631	1.8
137.13226	1.1
139.11211	1.2
143.08540	2.0
145.10138	6.6
147.11700	12.2
149.09621	3.9
149.13263	24.1
157.10094	3.6
159.11659	9.0
161.05920	1.4
161.13274	7.3
163.11157	3.6
163.14848	7.5
171.11664	3.2
173.13298	2.5
175.11183	1.9
175.14810	5.0
177.12657	1.1
177.79785	0.9
185.13235	2.8
189.12712	2.1
199.14838	2.5
203.14354	1.3
207.13788	1.2
209.15251	1.3
213.16435	2.5
217.19550	1.5
221.15468	1.9
231.17262	0.8
231.20979	1.0
235.16966	2.6
241.19583	5.9
245.22760	1.3
249.18500	3.1
259.20587	11.3
261.63150	0.9
291.19742	7.0
291.23172	100.0
301.03201	1.0
312.91476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
51.02365	1.3
53.03959	5.1
55.01878	0.9
55.05277	1.1
55.05518	18.0
57.07073	2.1
59.04993	1.1
65.03931	1.1
67.05508	38.2
69.03410	1.2
69.07068	16.6
71.04987	1.8
73.06551	1.0
77.03898	1.5
79.05499	71.2
81.07065	45.9
83.04964	1.0
83.08609	9.5
85.06538	2.5
91.05487	25.8
93.07050	100.0
95.04993	5.0
95.08617	30.5
97.06507	1.9
97.10184	4.8
99.08061	1.3
105.04505	1.5
105.07038	17.7
107.04966	2.0
107.08602	54.1
109.06505	2.6
109.10167	14.5
111.08119	1.0
115.07561	1.8
117.07034	3.3
119.08577	17.6
119.09375	1.4
121.06487	0.8
121.10152	48.2
123.08038	2.2
123.11724	4.4
125.09618	1.2
129.06975	2.6
131.08582	6.2
133.10135	15.1
135.08095	1.6
135.11702	49.4
137.09636	1.9
137.13229	0.9
143.08575	3.2
145.10118	5.8
147.11688	10.6
149.09592	3.5
149.13266	34.0
151.11226	1.7
157.10133	2.2
159.11687	5.0
161.09625	0.9
161.13254	6.5
163.11174	3.3
163.14838	8.6
171.11674	2.6
173.13263	3.4
175.11220	1.9
175.14781	4.4
177.12711	2.2
177.16426	1.2
181.12186	0.9
185.13211	3.8
188.44870	0.8
189.12715	1.5
199.14786	2.0
201.77383	0.8
203.14333	1.9
209.15343	1.6
213.16353	2.3
217.15846	1.4
217.19588	1.6
221.15324	1.1
231.17406	1.2
231.21104	1.4
235.16946	2.0
237.14624	0.8
241.19566	4.5
249.18492	2.3
259.20566	10.1
291.19913	3.8
291.23187	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	Androstenediol
Peak:m/z	Relative Intensity
50.46357	0.3
53.03940	0.3
55.01855	0.3
55.05516	2.4
57.07061	0.9
57.99898	0.3
67.05505	4.7
69.07071	4.2
70.01409	0.9
78.54774	0.3
79.05491	3.9
81.03423	0.3
81.07059	7.9
83.04987	1.3
83.08625	2.1
85.06528	0.4
85.64536	0.3
90.86212	0.2
91.05484	2.3
91.45322	0.3
93.07043	4.0
95.04939	0.4
95.08609	8.4
97.06507	0.6
97.10155	1.2
98.23938	0.3
105.07031	4.3
107.04958	1.5
107.07873	0.6
107.08594	9.0
109.06508	1.0
109.10165	9.5
111.08096	1.8
111.11677	0.4
117.07052	1.0
119.08584	3.5
121.06494	1.1
121.10142	2.8
123.08047	0.5
123.10831	0.6
123.11708	9.9
125.09637	3.4
128.06197	0.4
129.07028	0.3
131.08586	2.0
133.06459	0.4
133.10147	2.6
135.08057	4.0
135.11722	1.6
137.09561	0.4
137.13210	0.4
142.07747	0.4
143.08566	2.3
145.10124	2.6
147.08073	0.6
147.11707	2.6
149.09671	1.5
149.13255	1.3
151.07579	0.3
151.11177	0.9
153.09103	0.3
156.09296	0.3
157.10124	2.4
159.11693	3.8
161.09630	1.3
161.13260	2.8
163.11160	1.0
163.14830	1.3
165.12723	0.7
170.10918	0.3
171.11687	1.9
173.13242	2.1
175.11209	0.8
175.14848	2.1
177.12756	2.8
179.14346	0.6
185.13272	6.3
187.14824	1.1
189.12743	1.1
189.16389	0.6
191.14313	1.2
199.14891	2.4
203.14349	2.7
205.15898	0.5
213.16319	1.9
215.17979	6.2
217.15843	1.0
227.17960	0.5
229.19489	0.6
231.17340	0.5
243.21005	0.3
245.22589	0.5
255.21072	3.9
273.18787	0.6
273.22113	7.8
275.17181	0.3
279.04007	0.3
291.23178	100.0
292.23553	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03938	4.8
55.05513	17.8
56.34397	1.2
57.07065	2.5
65.03966	1.7
67.05508	41.2
69.07068	17.8
69.96440	3.8
69.96851	2.4
79.05497	76.3
81.06592	2.4
81.07060	46.1
81.07536	2.9
83.04988	2.6
83.08626	8.1
85.06554	3.1
87.06676	1.1
91.05485	26.8
93.07049	100.0
95.04963	3.6
95.08611	31.8
95.13850	1.2
97.06512	2.8
97.10175	4.6
99.08140	1.3
105.04507	1.6
105.07048	17.7
107.08598	64.8
109.06562	2.4
109.10159	16.4
115.07564	1.6
117.07026	3.6
119.08581	14.1
121.10148	46.7
121.11028	2.6
123.08052	2.1
123.11706	3.5
128.48677	1.4
129.07040	2.5
131.08560	5.4
133.10130	15.2
135.11696	61.6
137.09598	2.3
143.08525	3.5
145.10103	4.7
147.11705	10.4
149.09612	2.7
149.13263	36.3
156.77104	1.4
157.10172	1.7
159.11720	6.4
161.13274	7.2
163.11220	3.3
163.14832	10.2
165.12750	1.7
171.11717	3.3
173.13271	3.4
175.11201	1.7
175.14824	5.3
177.12752	3.6
185.13286	4.0
189.12659	1.7
193.12416	1.4
199.14835	2.4
209.15370	2.6
210.78793	1.2
213.16481	3.1
217.15930	1.9
221.15274	1.9
231.20970	1.7
235.16786	1.9
241.19559	5.2
249.18442	2.3
259.20642	11.0
291.20135	3.0
291.23199	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73224	2.0
53.95234	2.5
63.53387	2.5
65.41427	2.1
70.93593	2.0
144.72023	2.3
192.24429	2.1
212.03198	2.5
212.75116	2.7
293.06335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1168
Annotation	Eupomatenoid 3
Peak:m/z	Relative Intensity
53.03940	1.2
55.01871	3.0
55.05507	1.5
60.04522	1.4
61.01152	11.0
67.05493	2.2
69.03416	0.9
69.07085	0.7
70.06575	0.6
70.25702	0.4
70.27899	0.5
71.04964	0.8
71.06118	0.9
71.51089	0.7
72.04523	11.3
73.02924	3.0
73.99249	0.4
74.80644	0.5
78.03799	23.3
78.04248	1.2
79.05484	0.5
79.19411	0.4
79.76331	0.5
81.03412	1.7
81.07040	2.0
83.04970	2.0
84.08102	0.8
85.02914	15.6
86.06073	3.3
91.05469	1.0
93.07000	0.6
95.08611	1.4
97.06508	1.0
98.02416	1.3
98.06014	0.7
99.03853	0.8
99.04467	10.6
101.06025	0.5
102.03774	34.5
103.02171	4.3
103.03947	27.7
104.01690	2.1
105.07050	1.2
109.02881	5.1
111.04455	0.7
112.07626	0.8
114.03777	3.1
114.05536	2.4
115.05067	1.1
118.03258	1.0
119.08566	0.9
120.04804	7.9
120.08105	2.0
126.05527	30.2
127.03932	12.0
131.06400	17.7
132.04802	14.8
135.08105	0.5
141.06627	1.2
143.08604	0.5
145.04987	0.8
147.04570	0.8
147.05872	2.3
147.07982	0.9
149.07451	83.9
152.07100	3.5
154.08635	3.9
156.06573	1.7
158.02776	1.1
159.83240	0.5
161.09593	1.3
169.03220	0.6
174.07654	1.0
175.05376	4.5
180.06572	21.6
186.05875	1.3
191.08536	0.6
198.07622	6.7
204.06912	0.9
216.08643	4.2
222.07950	1.0
231.11694	6.4
233.09569	1.3
257.09589	3.4
275.10638	5.1
275.19891	0.7
276.08984	0.5
282.25809	0.5
293.11673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01861	9.0
55.05513	27.4
57.03436	3.5
57.07080	4.3
67.05507	28.0
69.03426	3.2
69.07074	29.8
69.35690	18.7
73.06545	3.5
79.05499	32.8
81.03414	6.2
81.06599	2.9
81.07060	35.5
83.04998	5.9
83.08621	8.5
86.00506	2.1
91.05492	24.1
93.07053	28.9
95.04978	24.1
95.08614	25.6
96.36205	2.0
97.06535	5.5
97.10154	7.3
105.07034	32.9
107.04973	13.0
107.08601	29.7
108.08163	3.0
109.06521	13.3
109.10159	12.9
111.08077	2.6
117.07024	11.3
119.08591	24.7
121.06538	13.5
121.10178	14.9
121.28918	2.0
123.08073	6.0
125.09698	10.5
125.10456	2.4
129.07031	3.6
130.07706	2.7
131.08580	16.3
133.06598	2.3
133.09386	2.2
133.10159	19.9
135.08046	10.2
135.11674	8.6
137.09663	5.4
143.08551	3.9
145.10121	22.3
147.11667	15.4
149.09607	8.7
149.13275	3.8
151.11165	7.5
155.08507	2.4
157.10127	6.3
159.11707	13.5
161.09625	3.5
161.13235	6.2
163.11194	13.7
165.12735	3.7
167.10612	2.6
169.10161	4.9
171.11668	3.1
173.09535	3.1
173.13269	8.2
175.11276	3.0
177.12764	6.0
179.10612	5.1
183.11742	5.4
191.14224	5.5
197.13211	3.0
201.12758	2.9
205.12276	2.4
207.13829	5.6
223.13243	4.4
229.19519	10.7
239.17967	7.2
247.20624	14.6
257.19034	60.8
275.20078	100.0
293.21100	23.6
306.13864	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	4.8
55.01874	8.9
55.05511	19.9
56.96161	1.2
57.03421	3.7
57.07067	2.2
59.04996	1.1
65.03937	1.8
67.05508	34.3
69.03415	1.5
69.07070	16.3
69.77584	2.2
69.77988	5.1
71.04980	1.3
71.52599	1.2
79.05497	35.8
81.03412	5.2
81.07056	58.6
81.69168	1.3
83.04979	6.5
83.08626	10.7
85.06546	2.7
87.03069	1.0
91.05483	25.0
93.06486	2.1
93.07047	29.2
95.04982	10.6
95.08607	26.8
97.06524	13.8
97.10177	8.4
99.08090	2.0
100.07732	1.2
105.07038	28.5
107.04968	8.6
107.08601	34.6
109.06528	13.5
109.10149	13.8
111.08076	4.3
117.07008	8.4
119.07822	1.7
119.08588	21.8
121.06498	3.5
121.10127	14.1
123.08105	6.3
123.11709	4.8
125.09660	7.3
129.06955	3.8
131.08563	11.6
133.06548	1.4
133.10130	20.5
135.08089	7.4
135.11705	7.3
137.09631	6.8
139.11200	1.6
141.09148	1.4
143.08531	2.3
145.10123	14.4
147.08069	2.1
147.11681	14.8
149.09636	14.6
149.13280	2.5
151.07506	1.3
151.11201	6.9
157.10153	3.0
159.11679	9.6
161.09590	1.7
161.13200	3.9
163.11191	10.0
165.09138	3.2
165.12799	2.5
169.10162	1.6
171.10202	2.1
171.11667	3.9
173.09683	1.7
173.13245	5.6
175.11208	2.7
177.12753	3.4
183.11658	2.5
185.13246	1.4
187.11246	3.0
189.11235	4.2
189.12726	2.0
197.13266	1.9
213.16422	1.6
215.14278	1.3
215.17831	1.4
223.13330	1.5
229.19518	4.5
239.17934	7.5
247.20662	7.1
257.19009	15.6
275.20071	100.0
293.21100	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	293.2109
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03933	1.9
55.01876	10.7
55.05270	1.9
55.05514	23.3
55.79520	1.2
57.03433	1.2
59.05005	2.6
65.03928	1.6
67.05176	1.8
67.05506	21.7
69.03425	2.8
69.07072	12.5
70.05669	2.6
70.06038	4.0
71.04971	1.9
79.05495	40.7
81.03397	3.3
81.06658	1.8
81.07059	21.4
83.04964	4.5
83.08614	12.8
91.04922	1.3
91.05487	26.4
93.07053	19.1
95.04979	6.2
95.08609	16.0
96.11925	1.2
97.06535	10.5
97.10181	17.8
99.08118	1.4
105.07035	29.4
107.04931	6.0
107.08596	100.0
109.06513	5.5
109.10183	7.5
111.08065	3.5
117.07030	6.1
119.08579	15.5
121.06488	1.9
121.10155	8.4
123.08061	2.6
123.11696	2.3
125.09627	15.7
129.07047	1.7
131.08580	10.4
131.14565	1.3
133.10133	17.3
135.08104	2.9
135.11659	5.1
137.09647	3.8
143.08504	1.4
145.10139	10.7
147.11700	13.0
149.09605	11.9
151.11211	3.5
157.10205	2.1
159.11647	8.0
161.13275	4.2
163.11189	3.7
165.09039	1.8
169.10130	1.7
171.10176	4.9
171.11690	3.2
173.13248	3.4
177.12726	1.3
181.12241	3.4
183.11655	2.6
187.11258	2.4
187.13077	1.3
189.11263	12.8
221.15472	1.3
229.19572	3.1
239.17931	4.8
247.20563	2.3
257.19012	9.4
275.20071	87.2
281.68320	1.2
293.21048	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03949	3.1
55.01878	11.8
55.05273	3.2
55.05516	41.3
56.55016	1.9
57.03431	4.5
57.07060	2.2
67.05508	49.3
69.03436	4.5
69.06738	2.0
69.07074	28.3
69.88177	7.8
69.88563	4.1
71.04974	8.1
71.08613	4.6
78.17729	2.2
79.05078	3.9
79.05499	51.8
81.03435	12.4
81.03843	2.8
81.06594	3.2
81.07060	58.2
83.04983	6.0
83.08621	23.0
85.06539	2.6
91.05490	39.0
93.07048	41.8
95.04967	25.8
95.08612	37.9
97.06545	12.4
97.10181	16.9
98.21463	2.4
99.08143	2.9
105.07040	45.8
107.04965	10.4
107.08598	79.2
109.06513	10.4
109.10149	20.7
111.08067	5.0
117.07021	13.1
119.08593	26.3
121.06528	5.1
121.10158	22.2
123.04458	2.1
123.08086	9.9
123.11720	4.8
125.09629	13.7
129.06975	3.9
130.70670	2.1
131.08549	18.2
133.10135	27.4
135.08015	4.8
135.11673	7.9
135.12604	1.9
137.09631	12.1
139.11180	3.3
145.10139	16.9
147.08067	2.5
147.11690	19.1
149.09622	14.5
149.13287	4.1
151.11203	13.7
155.10664	7.6
157.10109	3.5
158.22314	1.9
159.11705	14.5
161.09595	2.4
161.13226	3.9
163.11209	12.8
167.10660	2.7
169.10110	3.2
171.11688	3.7
173.11771	3.1
173.13292	5.6
177.12741	6.3
183.11688	2.6
187.11125	2.7
189.11244	10.3
197.13373	3.0
205.12206	3.2
223.13300	6.5
229.19518	5.5
235.16975	2.3
239.18007	8.0
247.20612	7.7
257.19107	9.8
275.20078	100.0
293.21118	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03939	3.5
55.01857	6.4
55.05512	23.0
57.03441	4.6
57.07059	2.3
67.05508	44.3
69.03451	2.4
69.07074	22.1
69.53740	1.6
70.03887	5.1
71.05000	2.2
79.05495	44.6
81.03403	5.6
81.07060	100.0
83.04970	6.9
83.08620	13.2
85.06535	4.6
87.48035	1.7
90.10081	1.9
91.05488	31.4
93.07056	31.3
95.04967	17.3
95.08608	33.6
97.06516	8.5
97.10149	4.6
99.08105	3.0
105.07037	34.7
107.04950	5.6
107.08593	25.4
109.06525	23.5
109.10162	14.8
111.08064	7.0
111.75051	1.7
117.07049	8.2
119.08576	34.8
121.06505	5.1
121.10146	13.3
123.08086	11.9
123.11702	7.3
125.09618	3.6
129.07043	3.5
131.08594	13.3
133.10143	25.6
135.08046	7.8
135.11694	7.5
137.09654	9.9
143.08560	3.6
145.10117	14.9
147.11697	21.2
149.09671	12.5
149.13245	5.2
151.11156	5.9
157.10139	3.3
159.11707	9.8
161.09592	2.1
161.13211	5.2
163.11185	8.7
165.12764	3.9
169.10225	2.6
171.11646	3.9
173.09602	1.6
173.13252	7.3
175.11226	2.8
177.12723	3.5
183.11722	2.1
185.13194	2.2
191.14165	2.4
193.12173	2.7
219.17384	2.0
229.19467	3.9
239.18021	3.9
247.20517	6.2
257.19061	9.4
275.20071	79.4
293.21106	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.77799	1.5
55.01887	8.2
55.05515	82.2
57.03446	13.8
57.98997	1.7
59.04996	2.0
67.05509	29.9
69.03437	9.2
69.07069	16.0
70.13634	5.8
70.33746	1.5
70.79339	1.6
79.05499	31.3
81.07069	29.2
81.19252	1.5
83.04977	6.7
83.08150	3.5
83.08627	50.8
83.09123	2.6
83.79517	1.7
85.06539	2.7
91.05491	20.1
93.07058	18.2
94.18397	1.6
95.04960	3.7
95.08636	9.1
96.38461	1.7
97.06536	3.1
97.10177	100.0
98.20810	2.4
101.06033	1.8
101.09674	2.5
105.07037	12.7
107.04958	2.0
107.08604	34.9
109.06550	3.7
109.10149	7.9
111.08079	4.3
117.07018	13.0
119.08577	7.9
121.10161	11.2
123.08021	2.4
125.09642	82.4
128.22020	1.6
131.08569	15.4
133.10164	11.5
135.08066	10.8
135.11716	3.8
137.09703	1.9
143.10698	3.7
145.10164	6.7
147.11707	3.5
149.09642	6.0
153.09097	5.1
155.10707	1.8
159.11684	3.0
171.10207	20.9
171.11591	2.8
173.11763	2.8
173.13205	2.9
181.12250	2.7
189.11229	64.9
219.17514	1.8
239.18089	4.1
257.18924	4.1
275.20120	37.0
293.21097	35.0
310.31750	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03937	4.6
55.01864	10.4
55.05513	59.1
57.03421	2.5
57.07086	2.7
67.05505	51.8
67.90357	2.3
68.60685	2.0
69.03430	5.0
69.07075	17.4
69.98520	3.9
69.98936	7.3
71.04977	4.0
75.19556	2.1
77.03915	2.2
79.05497	95.0
81.03411	4.8
81.07066	34.4
83.04982	23.8
83.08628	23.4
91.05482	34.5
93.06488	3.5
93.07050	51.2
95.04967	8.6
95.08609	17.1
95.51793	2.6
97.06524	9.0
97.10165	28.1
98.25336	2.0
105.07040	35.4
107.04961	45.3
107.08596	71.8
109.06470	4.4
109.10152	19.8
110.98461	2.4
111.08073	5.0
114.73843	2.3
117.07036	10.4
119.08582	33.5
121.06548	3.6
121.10152	18.4
123.08119	3.8
123.11695	7.7
125.09621	32.2
127.17724	2.3
129.07019	3.7
131.08556	14.1
133.10144	24.2
135.08054	11.4
135.11650	3.8
137.09566	2.6
141.06932	2.1
145.10149	13.6
147.11659	18.7
149.09627	92.3
149.13268	2.8
151.11153	3.5
153.09129	5.1
155.10617	3.7
157.09976	2.8
159.11714	12.2
161.13223	5.2
163.11180	4.2
163.14792	3.2
169.10110	2.7
169.12270	7.3
171.10222	5.6
173.11873	4.9
173.13293	10.5
183.11792	2.4
187.11218	2.7
189.11235	14.9
191.14272	5.9
209.15388	8.6
215.14374	2.5
229.19559	8.7
239.17921	5.5
247.20605	5.9
257.19049	23.9
275.20081	100.0
293.21027	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03950	13.5
53.04328	1.5
55.01875	12.5
55.05516	52.4
57.03436	2.6
57.07067	4.1
65.03939	3.7
67.05511	48.0
67.66451	1.7
69.03413	2.3
69.07072	37.1
69.38060	7.3
69.38490	6.2
71.04974	5.1
71.08621	3.7
79.05499	49.8
81.02991	3.2
81.03424	35.3
81.07061	50.0
83.04991	10.6
83.08627	72.7
85.06557	3.3
91.05488	40.9
93.06487	3.4
93.07053	47.9
95.04969	23.2
95.08616	26.7
97.06535	11.0
97.10149	5.7
99.08093	2.6
103.05473	1.9
105.07030	28.0
107.04965	54.7
107.08610	25.4
109.06527	7.9
109.10167	9.6
111.04456	2.3
111.08090	13.8
115.05414	2.2
117.07047	13.1
119.08588	23.0
121.06501	6.2
121.10151	25.8
123.08078	6.5
123.11735	2.4
125.09640	4.3
129.06989	4.2
131.04849	1.7
131.08588	16.6
133.10143	16.4
135.08075	21.7
135.11667	9.6
137.09625	4.6
137.13200	1.7
139.11194	4.4
143.08572	3.6
145.06491	5.6
145.10138	24.1
147.11702	14.2
149.09610	15.9
151.11188	9.5
153.09244	1.8
155.08594	7.8
159.11708	7.7
161.13260	1.9
163.11192	23.8
165.12764	7.8
173.09622	14.4
173.13255	5.0
175.11200	2.5
175.14777	1.7
177.12711	3.0
179.10719	1.7
181.12173	3.6
183.11710	2.8
187.11189	2.6
187.14830	1.9
191.10632	3.4
191.14391	2.1
201.12825	2.0
203.12794	2.1
209.11679	5.6
219.13780	3.6
229.19464	4.1
237.11189	4.9
239.17982	2.7
247.20555	3.9
257.18961	8.8
268.29636	1.6
275.20074	100.0
293.21136	96.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.20027	2.5
53.03937	3.5
54.96619	3.1
55.01853	5.4
55.05514	21.2
57.07067	6.7
67.05505	38.3
69.03415	3.5
69.07076	78.7
71.04996	2.8
71.17189	3.6
71.17513	3.6
76.99677	2.5
79.05492	32.4
81.03405	12.5
81.07057	34.1
83.04974	8.5
83.08622	11.8
85.06541	4.4
91.05483	24.9
93.07056	30.5
95.04979	69.3
95.08617	25.4
95.96575	2.4
97.06522	9.5
97.10196	6.3
105.07032	20.2
107.04951	22.6
107.08608	18.4
107.45869	2.8
108.13374	2.7
109.06522	6.7
109.10165	5.3
111.08113	3.8
113.00897	2.9
117.07051	5.7
119.08584	19.3
121.06491	5.9
121.10146	18.8
123.08047	11.4
125.09677	5.0
127.67407	2.7
131.08562	15.9
133.10136	15.7
135.08073	22.8
135.11691	4.4
139.11176	9.6
145.10133	11.1
147.11703	8.7
149.09616	10.4
151.11217	10.9
156.62175	2.7
159.11737	8.4
161.09688	4.4
161.13194	3.4
163.11195	7.9
175.11198	3.6
177.12758	6.5
181.04991	3.1
201.12697	4.5
203.12820	6.7
207.13838	10.7
219.13837	4.4
223.13373	5.6
225.14891	4.2
229.19604	4.7
237.11237	9.3
237.14880	32.0
247.20773	4.0
257.19046	6.7
275.20074	82.0
293.21149	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.54277	0.9
53.03932	2.9
55.01871	6.5
55.05103	1.0
55.05514	15.2
57.03432	2.3
63.77982	0.8
65.03934	1.3
67.05509	36.8
69.03422	2.0
69.07069	14.6
70.12272	4.2
71.04975	3.2
79.05499	35.3
81.03448	4.6
81.07061	83.3
83.04967	5.6
83.08623	11.5
85.06550	1.7
91.05485	27.0
93.06491	1.5
93.07050	25.1
95.04971	11.6
95.08612	24.9
97.06522	7.6
97.10155	4.2
99.08102	1.9
100.40286	1.1
105.07039	29.6
107.04984	5.5
107.08598	21.5
109.05800	1.8
109.06525	27.7
109.10167	12.0
111.08073	3.6
117.07011	7.8
119.08587	25.7
121.06486	3.7
121.10155	15.5
123.08073	10.0
123.11700	4.3
125.09620	3.4
129.07004	2.8
131.08572	13.6
133.06488	1.9
133.09122	1.6
133.10136	22.3
135.08044	6.5
135.11659	6.9
137.09619	7.9
141.06989	1.2
143.08562	2.3
145.10135	14.1
147.08089	1.7
147.11690	15.5
149.09631	12.1
149.13246	5.4
151.11186	8.6
157.10120	3.8
159.11707	8.1
160.02928	1.0
161.09589	1.5
161.13239	5.3
163.11191	9.8
163.14857	2.1
165.09171	1.0
165.12740	3.0
169.10138	2.6
171.11703	2.7
173.09663	2.1
173.13278	6.5
175.11188	1.7
175.14806	1.3
177.12724	3.0
183.11720	2.1
185.13248	1.5
187.11221	1.4
187.14763	1.3
189.12830	1.7
193.12222	2.7
197.13329	2.4
201.12875	2.1
213.16408	1.1
215.14268	1.1
215.17926	2.4
217.15898	1.0
229.19592	6.5
233.15361	1.3
239.17932	6.9
247.20587	8.0
249.18460	1.2
257.19031	10.8
265.21646	1.9
275.20074	100.0
293.17841	1.8
293.21118	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	293.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.3
55.01860	7.1
55.05517	28.8
57.03422	2.3
57.07061	6.1
64.41282	1.7
65.03921	2.8
67.05504	52.3
69.07066	24.5
69.84973	6.7
71.04985	5.7
73.90073	2.0
79.05070	3.1
79.05498	43.8
81.03401	7.7
81.07062	100.0
83.04971	7.8
83.08630	12.8
85.06544	4.5
91.05485	37.3
93.07054	34.8
95.04962	21.0
95.08611	38.3
97.06522	7.2
97.10162	3.5
99.08100	3.5
105.02231	1.9
105.07036	42.9
107.04936	6.7
107.08612	29.2
109.06524	23.7
109.10162	26.4
111.08051	5.7
111.29737	1.8
115.07618	1.9
117.07037	12.6
119.08582	51.7
121.06508	6.6
121.10153	16.9
123.08051	7.8
123.11703	6.3
125.09637	3.3
129.07031	3.3
131.08598	14.8
133.10138	34.6
135.08066	9.0
135.11684	7.4
137.09621	8.8
145.10123	16.6
147.07968	1.9
147.11671	19.2
149.09599	12.7
149.13170	3.0
151.11200	14.6
157.10144	5.4
159.11665	10.7
159.65613	2.0
161.09625	3.6
161.13290	2.6
163.11142	8.9
165.12776	5.9
169.10133	3.3
171.11749	2.6
173.13271	5.9
175.11174	4.0
177.12698	4.5
187.14783	2.4
193.12280	3.4
197.13234	2.4
219.17451	2.1
229.19579	2.4
239.18066	2.5
239.56102	2.2
247.20628	7.2
257.19031	12.4
275.20078	87.6
293.21115	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.61376	0.6
53.03918	1.4
55.01830	3.7
55.05510	8.5
57.03409	0.8
57.07047	1.3
65.03918	0.8
67.05509	18.1
69.03384	1.3
69.07073	20.2
69.07417	1.0
69.62065	0.8
69.62473	3.4
71.04957	2.0
79.05496	15.0
79.05935	0.6
81.03385	1.1
81.07060	24.4
83.05000	6.1
83.08626	4.2
85.06521	1.3
91.05488	15.9
93.07053	17.6
95.04956	6.9
95.08612	16.1
97.06508	2.1
97.10143	1.7
103.05382	1.1
105.07038	19.6
107.04964	5.9
107.08585	9.8
109.06525	9.0
109.10163	7.6
111.08051	1.0
115.05419	0.7
117.07027	4.3
119.07840	0.8
119.08593	11.1
121.06511	7.9
121.10149	7.4
123.08069	3.9
123.11677	1.8
125.09618	1.5
125.21635	0.6
129.07008	1.8
131.08574	11.3
133.06476	1.3
133.10138	14.2
135.08066	3.4
135.11687	4.0
137.09554	2.3
141.06960	1.0
143.08513	2.3
145.06451	1.6
145.10118	8.2
147.08008	2.2
147.11696	10.9
149.09619	4.6
149.13216	2.0
151.11194	5.9
155.08536	1.4
157.10152	3.0
159.08032	1.3
159.11696	6.0
161.09639	3.0
161.13214	2.1
163.11191	5.4
163.14839	1.1
169.10149	1.2
171.11671	1.9
173.09613	2.0
173.13310	4.3
175.11192	2.4
177.12726	1.8
179.14220	1.1
183.11641	2.5
187.11191	1.5
187.14720	1.0
189.12752	1.3
191.14243	1.8
197.13330	1.0
199.14908	0.9
201.12692	3.1
207.13759	2.6
215.14403	0.9
215.17978	1.5
216.37468	0.7
219.13853	5.0
221.15451	0.8
225.98619	0.7
229.19580	1.9
233.18921	0.9
239.17950	2.9
247.20631	3.5
257.19016	12.0
275.20078	100.0
276.20511	0.8
293.21127	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
52.15488	1.7
52.25254	1.6
53.03943	4.8
53.70338	1.9
55.01866	7.2
55.05508	20.1
57.03447	1.9
57.07071	7.3
58.61353	1.7
59.04993	2.6
63.55968	1.7
65.03922	4.3
67.05509	92.7
68.48559	1.8
69.03421	1.8
69.07072	55.2
71.05002	2.8
71.08634	3.1
74.54169	1.6
79.05502	31.4
81.03412	8.8
81.07062	100.0
83.04976	6.4
83.08617	10.3
85.06567	4.0
91.05482	22.8
91.30650	1.5
93.07040	34.1
95.04978	45.8
95.08610	83.6
97.06533	10.3
97.10153	7.0
99.08056	2.8
101.06035	1.7
105.07044	15.8
107.04975	11.0
107.08606	22.4
109.06506	8.0
109.10165	33.8
111.08119	3.7
111.11726	1.9
117.07013	8.7
119.08588	16.9
121.06489	4.7
121.10164	21.3
123.08067	5.3
123.11718	15.6
125.09649	3.7
131.08597	11.3
133.06557	1.9
133.10147	13.0
135.08060	12.6
135.11690	11.3
137.09641	4.3
137.13271	11.0
139.11195	4.8
143.08546	2.1
145.10139	8.1
147.11629	9.2
149.09625	13.3
149.13249	7.5
151.11169	8.5
151.14783	4.8
159.11729	10.0
160.46657	1.7
161.09558	2.4
161.13252	5.2
163.11163	7.0
163.14842	3.9
165.16188	1.7
167.10828	2.2
171.11716	1.8
173.09790	1.6
173.13268	10.6
175.14781	2.3
177.12729	9.8
179.14264	2.0
181.04890	3.0
187.11023	1.9
187.14862	2.9
191.10658	2.1
191.14340	4.3
201.12773	3.4
203.12724	4.0
207.13805	3.2
209.11748	5.7
219.13918	2.6
225.14838	3.7
228.88289	1.8
229.00941	2.1
233.11667	2.4
237.11365	9.3
237.14873	17.7
237.18373	2.2
243.21075	6.2
247.20586	2.7
257.19009	4.5
261.22177	6.9
275.20105	37.1
293.21097	65.3
293.24689	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03951	1.5
55.05510	9.3
55.58002	0.7
57.07078	2.3
59.04991	0.7
65.03947	3.0
67.05505	97.9
69.07068	11.0
69.47549	3.2
69.47980	1.8
79.05495	15.0
81.07056	100.0
83.04993	1.3
83.08627	5.8
85.06544	2.8
91.05487	4.8
93.07050	14.4
95.04950	1.5
95.08608	81.2
97.06521	3.7
97.10172	2.5
98.09489	0.6
98.21582	1.2
99.08115	2.1
101.06037	0.7
105.07030	4.7
107.08594	9.9
109.06525	1.4
109.10160	31.2
111.08092	1.6
113.09677	0.9
115.07588	0.8
117.07029	2.1
119.08616	3.6
121.10145	10.5
123.08076	2.5
123.11710	18.9
125.09657	1.3
129.09120	0.8
130.24045	0.7
131.08560	7.8
133.10114	4.8
135.08034	1.3
135.11702	6.1
137.09601	1.5
137.13243	12.4
139.11252	0.8
141.09088	1.0
145.10127	4.2
147.11678	3.7
149.09616	3.0
149.13358	3.7
151.11189	2.2
151.12563	0.6
151.14807	4.4
153.05510	0.7
157.10069	0.6
159.11671	4.8
161.13298	4.0
163.11169	3.4
163.14839	2.7
165.12798	1.7
165.16461	1.3
173.13246	7.0
177.12746	3.3
177.16394	2.0
179.14311	1.6
181.12242	1.2
187.14778	3.3
191.14348	3.1
195.13780	1.0
201.16393	1.1
205.15857	1.5
209.11815	0.9
209.15453	0.6
217.19453	0.8
219.21048	1.3
223.16965	2.3
237.11232	2.2
237.18498	2.0
243.21068	8.1
251.19983	0.9
259.56821	0.7
261.22128	9.5
275.20087	2.1
293.21158	3.2
293.24701	25.7
305.00333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
52.61976	0.9
55.05513	9.2
57.50452	1.0
65.03933	2.9
67.05509	96.2
69.03404	1.0
69.07063	9.5
69.82732	6.3
71.04980	1.0
79.05498	16.5
81.07061	100.0
83.04975	1.1
83.08620	5.3
85.06547	2.3
91.05478	4.4
93.07056	16.2
95.04952	1.6
95.08612	89.7
97.06522	2.8
97.10170	2.2
99.08095	1.7
103.44065	1.0
105.07041	5.6
107.08608	9.5
107.99352	1.1
108.07647	1.0
109.06536	1.6
109.10163	32.8
111.08107	1.4
117.06955	2.4
119.08591	5.7
121.10150	8.1
123.08043	1.3
123.11716	16.0
131.08580	8.8
133.10167	5.4
135.11711	6.3
137.09636	3.0
137.13260	11.1
139.11198	1.2
145.10095	4.6
147.11691	3.6
149.09602	2.1
149.13274	4.4
151.11150	2.5
151.14819	4.2
155.94490	1.2
159.11685	4.4
161.13281	3.1
163.11243	2.2
163.14845	3.7
165.16458	1.3
173.13336	7.1
177.12781	4.0
177.16388	2.9
179.14316	1.4
187.14850	3.5
191.14267	2.1
196.01414	1.1
205.15907	1.3
219.21001	1.5
223.17032	1.9
237.18507	2.1
243.21182	8.0
256.19034	1.0
261.22092	8.7
275.20157	2.5
293.21573	1.6
293.24768	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	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03952	1.2
55.01882	1.3
55.05513	10.0
55.05763	0.8
57.07077	3.4
61.97347	0.4
63.59317	0.4
65.03927	2.3
67.05507	88.4
69.03429	0.8
69.07068	12.2
70.56950	0.4
71.13218	0.6
73.06569	0.6
79.05495	15.0
81.03426	1.4
81.07058	100.0
83.04993	1.3
83.08617	6.4
85.06529	2.1
89.32795	0.4
89.57016	0.5
91.05483	5.5
93.06481	1.0
93.07048	12.8
95.04981	5.0
95.08611	71.6
97.06532	2.9
97.10168	3.3
99.08120	0.6
105.07033	4.3
107.04969	1.3
107.08601	9.1
109.06517	1.8
109.10161	40.4
111.04475	0.8
111.08076	1.4
111.11748	1.0
113.09635	0.5
115.07589	0.8
117.07019	1.8
119.08575	5.6
121.06503	0.7
121.09332	0.6
121.10155	8.1
123.08054	1.9
123.11713	25.5
125.09618	0.6
129.09109	0.6
131.08586	5.9
133.10127	5.1
135.08102	2.2
135.11702	6.5
137.09645	2.2
137.13261	9.5
139.11208	1.6
141.09045	0.5
145.10123	4.1
147.11682	4.3
149.09621	2.0
149.13248	3.8
151.11205	3.0
151.14845	3.2
156.04857	0.5
159.11673	3.8
161.13248	2.0
163.11206	3.4
163.14799	2.4
165.12712	2.2
165.16386	0.4
169.12254	0.6
173.13292	4.2
175.14885	1.0
177.12785	3.2
177.16382	1.2
179.14265	1.4
187.13322	0.5
187.14781	2.8
191.10692	0.6
191.14281	1.8
195.10146	0.6
195.13808	0.6
201.16397	0.8
205.15858	1.3
206.77917	0.5
209.11693	1.9
209.15344	0.9
217.19502	0.6
219.21043	0.7
223.13214	0.6
223.16928	0.8
233.22565	0.5
237.11235	2.5
237.14801	1.9
237.18463	1.7
243.21088	5.7
251.19958	0.7
261.22131	8.9
275.20047	5.2
293.21112	7.0
293.24673	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	293.2477
Annotation	Havardol
Peak:m/z	Relative Intensity
53.03945	1.1
53.92863	0.4
55.01872	1.8
55.05514	13.9
57.03428	1.8
57.07085	6.5
58.49927	0.4
59.04996	1.8
65.03946	0.9
67.05511	27.8
69.03434	2.2
69.07074	24.9
69.51382	3.2
71.05001	2.5
71.08646	1.0
73.06558	0.6
74.07258	0.5
79.05499	11.5
81.03433	1.9
81.07064	100.0
82.07405	0.6
83.04983	2.3
83.08626	7.0
85.06573	1.3
91.05481	7.4
92.62263	0.5
93.07053	15.7
95.04967	5.3
95.08615	78.3
97.06533	4.1
97.10180	9.9
99.04435	1.0
99.08108	1.9
101.06019	0.7
105.07043	7.3
107.04974	1.3
107.08603	13.9
109.06517	3.0
109.10164	36.6
111.08106	1.9
111.11713	3.1
113.06042	0.6
113.09690	0.8
117.07030	3.0
119.08593	6.8
121.06483	1.4
121.10160	9.7
123.08107	3.0
123.11721	26.0
125.09647	1.9
125.13323	0.6
131.04936	0.9
131.08571	4.5
133.10155	5.8
135.08086	3.5
135.11710	5.9
137.05998	0.6
137.09651	2.2
137.13266	65.9
139.11205	2.2
143.08540	1.2
145.10124	3.6
147.11714	4.5
149.02391	0.5
149.09633	3.6
149.13263	3.9
151.11185	5.6
151.14835	2.1
153.12790	0.7
155.10680	0.5
157.20172	0.5
158.50056	0.5
159.11693	3.6
161.09637	0.8
161.13266	2.7
163.11163	1.7
163.14859	2.3
165.12752	2.2
167.10660	0.5
169.10220	0.6
169.12233	1.5
171.11688	0.8
173.09654	0.6
173.13237	3.1
175.11191	1.0
175.14874	0.6
177.12799	2.0
177.16383	1.7
179.14236	0.9
181.12257	0.7
183.13794	0.8
185.13341	0.5
187.14841	1.7
189.11264	0.5
191.14299	1.7
193.15923	0.6
195.13756	0.9
197.13330	0.6
201.12715	0.7
201.16373	1.6
203.18068	0.6
204.19057	0.5
205.15916	1.3
209.15343	1.1
215.14320	0.5
215.17928	0.9
217.19528	0.7
219.13559	0.5
219.17445	2.6
219.21205	0.9
223.16983	2.7
237.14911	1.2
237.18513	4.7
239.18015	1.3
247.20650	1.6
247.24117	0.8
257.19034	2.0
257.22589	2.4
265.25378	1.6
275.17014	0.8
275.20074	14.7
275.23660	4.5
293.10416	0.6
293.17706	0.9
293.21124	12.0
293.24747	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	294.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01863	7.4
55.05513	17.1
57.07071	4.9
67.05505	19.6
68.05848	5.6
69.06795	2.0
69.07072	21.5
69.18085	22.0
70.07400	6.3
71.04993	2.5
71.08631	9.9
73.06545	3.0
79.05495	24.6
80.05830	10.3
81.07053	22.5
82.07391	10.3
83.04978	3.3
83.08627	6.5
91.05473	18.4
92.05825	8.9
93.07044	24.1
94.07380	9.8
95.04975	8.6
95.08613	22.5
96.05308	5.2
96.08947	11.0
97.06554	2.5
97.10186	3.4
98.20770	4.0
99.08095	10.3
103.41254	2.4
104.20634	2.1
105.07041	23.3
106.07351	12.5
107.04973	6.7
107.08613	18.9
108.05302	2.8
108.08913	15.1
109.06516	8.1
109.10149	6.6
110.06858	4.4
110.10503	4.7
111.08099	4.5
113.46147	2.0
116.50195	2.1
117.07037	6.8
118.07348	6.4
118.75216	2.1
119.08588	11.1
119.22340	2.2
120.08910	14.0
121.06505	6.3
121.10155	8.7
122.06835	4.3
122.10490	6.2
123.08062	3.2
125.09597	3.0
131.08580	7.2
132.08928	10.3
133.06476	3.2
133.10133	10.1
134.10451	11.0
135.08054	4.2
135.11684	4.6
136.08372	4.5
136.12007	4.0
137.06009	3.8
138.10081	2.6
144.08929	2.7
145.10129	7.1
146.10478	8.2
147.11707	7.5
148.12033	9.8
149.09682	3.9
149.13133	3.3
150.10007	5.4
151.11180	8.4
151.44878	2.2
158.03609	2.3
158.10480	2.8
159.11707	5.9
160.12068	11.7
161.13280	6.3
162.13629	3.8
163.11172	5.7
164.11525	4.2
170.10493	2.5
171.11685	2.7
174.13596	5.9
177.12759	7.0
178.13097	3.0
179.14355	4.6
184.12024	3.4
187.11218	2.4
189.12801	2.3
190.13025	2.6
196.17000	4.5
206.12622	2.5
208.14183	3.2
224.13852	2.7
230.19901	11.5
234.15562	2.7
240.18321	10.2
248.20822	14.0
258.19348	54.2
276.20410	100.0
277.21680	2.9
294.21417	18.5
294.24344	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	295.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	0.3
55.01884	0.3
55.05520	1.1
56.05042	3.5
56.96569	0.3
57.03450	0.4
60.04541	0.6
60.12367	0.3
67.05498	0.9
69.03443	0.8
69.07085	0.6
69.34936	1.5
69.35362	0.8
70.06595	0.4
71.05000	0.4
72.08169	0.4
73.02903	0.3
74.06084	4.6
79.05495	0.6
81.03434	0.6
81.07067	0.9
83.04974	0.3
84.04511	1.0
84.08134	0.5
85.02933	1.1
86.09722	1.2
88.04010	0.4
91.05482	3.8
93.07053	0.9
94.04068	0.7
95.04990	0.8
95.08590	0.7
97.06551	1.0
97.10181	1.5
98.20653	0.4
98.97604	1.4
102.05549	1.0
103.05462	0.4
105.07067	0.9
107.08610	0.7
109.02903	1.1
109.06502	0.4
109.10183	0.5
115.11206	0.8
115.41730	0.3
116.07100	5.3
116.98635	0.6
117.07021	0.4
119.03565	5.0
119.04913	1.5
119.08591	0.7
120.07271	0.4
120.08114	6.3
121.06463	0.4
121.10125	0.4
127.03889	0.5
133.06477	0.4
133.10161	0.8
134.08141	26.0
135.08066	0.3
135.11755	0.4
136.06200	100.0
136.07564	7.6
137.04602	2.3
137.05530	0.4
145.06517	0.3
146.06013	1.0
150.07774	3.7
151.03850	0.5
158.99745	0.6
162.04126	47.5
163.07410	0.4
174.96877	0.4
198.59712	0.3
217.13377	0.4
219.01802	0.9
221.06013	0.4
231.11375	2.5
234.98990	0.3
249.05467	0.5
249.13029	0.7
249.15810	0.5
277.04956	0.4
277.12338	0.6
277.15375	1.4
278.10989	0.6
284.62149	0.4
295.06348	1.6
295.11429	8.5
295.16486	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	295.1291
Annotation	Phenylalanylglutamate
Peak:m/z	Relative Intensity
53.03938	1.3
56.05022	1.2
57.03428	0.8
61.02924	0.9
62.16492	0.7
67.05477	1.4
69.03423	2.2
69.07088	1.6
70.06586	0.8
71.04985	1.0
71.50793	0.9
72.08134	1.0
73.02916	1.1
79.05479	2.1
79.21764	0.9
81.03407	2.2
81.07043	1.6
83.08577	1.1
84.04510	32.8
84.08151	1.4
85.02913	9.6
86.09726	3.9
87.04485	1.1
87.08111	1.6
91.05485	2.8
93.07025	1.3
94.04016	1.0
95.08604	1.2
97.02883	1.6
97.10149	0.9
98.97540	0.9
99.04504	1.0
102.05531	1.2
103.05464	7.3
107.04945	2.9
109.02911	1.7
109.10149	1.0
119.04919	1.5
119.08583	1.4
120.08114	100.0
123.06634	1.4
127.03915	1.3
130.05016	5.5
131.04939	3.2
132.95790	1.2
136.07602	6.0
144.95854	1.1
145.04953	2.7
148.03922	1.0
149.05997	2.3
150.07764	63.2
151.03963	1.4
163.03897	2.7
166.08653	42.7
174.96809	0.9
183.08676	0.9
186.09131	7.4
221.05946	1.5
232.09758	4.6
251.08087	0.8
277.11850	2.2
277.15335	0.8
278.10281	5.2
286.14682	0.8
295.05682	1.3
295.08707	1.2
295.12772	8.2
295.16528	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	295.1654
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
53.03956	0.4
57.02124	0.2
57.07060	0.3
61.02949	0.3
66.29467	0.3
67.05480	0.7
69.03417	1.1
69.07065	1.0
70.06568	0.3
71.04938	0.3
71.51015	0.4
72.08159	0.4
73.02919	0.4
74.02426	0.4
79.98544	0.3
81.03416	1.7
81.07051	0.8
84.04480	0.5
84.08151	0.5
85.02901	1.0
86.09703	4.2
89.03905	0.5
91.05486	19.5
93.07055	0.6
95.04956	0.4
95.08610	0.6
97.02902	0.8
107.04990	0.6
109.02877	0.8
109.06519	0.7
111.04495	0.4
117.03400	0.7
118.06543	0.9
119.04946	13.3
119.08611	0.4
120.08140	1.4
121.06498	2.7
123.11695	0.3
127.03925	0.5
129.10312	0.4
130.08644	0.6
132.10190	1.6
132.95851	0.7
133.10118	0.4
135.04398	0.9
136.07584	100.0
139.03993	0.3
144.95854	0.4
145.02852	0.9
145.06624	0.3
147.04414	0.9
150.07761	2.2
151.03915	6.4
151.05017	0.4
151.71288	0.3
152.04185	0.4
160.80534	0.3
163.03914	6.9
165.06938	0.3
169.04994	0.4
170.97409	0.3
171.92262	0.3
174.96892	0.6
175.58807	0.3
176.92316	0.4
186.96992	0.4
189.09184	0.3
210.13397	0.3
221.05962	0.8
234.99025	0.6
249.05486	0.7
249.15944	2.0
250.14342	0.6
267.06546	0.4
277.00235	0.5
277.11819	0.3
277.21875	0.3
278.13852	1.7
279.00299	0.3
295.05914	1.3
295.08347	1.1
295.13391	0.4
295.16498	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	295.1902
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.81824	1.0
55.01863	6.8
55.05515	8.3
57.03429	1.1
57.07076	1.4
59.73841	1.0
67.05502	14.7
67.82854	1.0
69.07060	8.7
70.17146	2.2
70.17542	2.2
71.08631	3.0
78.08199	1.0
79.05499	10.6
80.57793	0.9
81.03427	1.4
81.07058	43.8
83.04987	2.5
83.08611	5.0
85.06570	1.3
87.04464	1.1
91.05501	5.6
93.07049	13.1
95.04959	2.9
95.08599	12.8
97.06522	2.2
97.10178	1.3
99.08107	2.4
100.03410	1.1
105.07035	5.6
107.08585	9.5
109.06519	12.3
109.10165	4.6
111.04446	11.6
111.08057	1.6
113.09636	1.3
117.06991	2.4
119.08587	7.9
120.34851	1.0
121.10152	6.9
123.08055	3.4
123.11714	1.6
125.06013	5.0
128.38022	1.0
131.08572	3.9
133.10141	7.2
135.08055	2.6
135.11731	5.8
137.05981	100.0
145.10123	2.2
147.08029	1.5
147.11681	4.8
149.09650	3.8
149.13225	1.9
151.07536	1.7
151.11221	2.7
157.10136	2.6
159.11703	2.3
160.78394	1.1
161.09631	4.4
161.13257	4.8
163.11198	4.2
165.09122	2.2
165.12755	1.9
165.37509	1.2
169.10175	1.0
171.11717	2.3
175.11206	4.4
177.12921	1.1
179.10674	2.3
181.12199	1.1
185.13264	2.7
189.12811	1.3
193.12260	2.0
203.14407	1.2
203.17880	4.9
213.16391	2.3
221.19008	1.3
231.17427	9.2
249.18495	12.7
259.20221	1.1
277.14941	2.6
277.18002	53.5
277.21497	9.8
286.82761	1.0
295.18906	6.3
295.22855	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	295.1906
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
51.01659	1.3
51.20659	1.2
53.03943	2.1
55.01851	7.7
55.05519	8.1
67.05512	13.0
68.05838	2.3
69.07069	7.5
70.07397	2.3
71.03185	1.4
71.08630	2.9
79.05502	9.7
79.14446	1.4
81.03412	1.6
81.07064	35.9
82.07401	2.0
83.04974	3.4
83.08625	3.2
90.96801	1.4
91.05490	6.5
92.05821	1.3
93.07030	8.8
94.07334	1.9
95.04955	4.8
95.08624	9.2
96.08934	2.0
97.10236	1.5
99.08115	1.8
105.07018	6.9
106.07342	2.0
107.08604	5.3
108.08849	2.0
109.06521	11.2
109.10154	4.9
111.04443	13.1
111.08110	1.7
117.07067	1.6
119.08577	8.6
121.06464	1.7
121.10135	4.0
123.08068	2.6
123.11721	2.1
125.05990	4.4
125.09647	2.0
131.08614	2.8
132.08885	1.5
133.10146	5.6
134.10503	1.7
135.08037	2.9
135.11682	5.5
135.23686	1.4
137.05988	100.0
137.09560	1.6
137.13332	1.7
145.10136	2.2
147.11691	6.4
149.09654	4.2
151.07550	1.9
151.11229	2.0
159.11638	1.9
161.09604	4.8
161.13245	2.1
163.11241	4.2
163.14886	1.8
165.09074	2.3
165.12749	1.4
175.11200	3.8
177.12810	2.2
179.10820	2.2
189.12756	2.3
193.12273	3.2
203.17981	6.6
213.16331	3.1
215.75885	1.4
221.18936	1.8
231.17439	10.3
241.15977	1.9
249.18465	10.7
275.19995	1.8
277.17978	52.1
277.20935	17.4
295.19022	6.1
295.21924	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03938	5.0
53.19481	1.9
53.65802	2.0
55.01859	6.3
55.05512	48.5
57.03422	3.6
57.07071	4.3
65.03938	2.0
67.05509	85.3
69.03413	5.7
69.07071	23.2
69.24516	1.9
70.81401	5.5
71.05006	3.8
71.08291	2.6
71.08640	33.1
71.57340	2.4
77.87680	1.7
78.71386	1.7
79.05066	3.1
79.05492	37.5
81.03419	15.1
81.07059	50.0
83.04988	9.4
83.08611	19.3
85.06540	7.0
91.05070	1.8
91.05494	18.8
93.07048	39.0
94.07478	1.8
95.04976	11.9
95.08611	41.6
97.06570	9.6
97.10170	36.4
99.08092	26.8
103.98099	2.1
105.07026	16.8
107.04955	2.9
107.08599	34.5
109.06535	4.8
109.10153	25.5
111.08049	4.5
112.51264	1.6
117.07024	5.1
119.08598	13.4
121.10149	17.1
123.11703	5.1
125.09637	30.2
129.07005	3.7
131.08545	5.9
133.10117	11.1
135.07994	6.0
135.11693	15.8
137.06001	9.8
137.06979	2.0
137.13239	2.8
138.06310	7.6
138.24086	2.1
139.11134	1.8
143.08559	3.6
145.10118	4.8
147.11702	8.8
149.13266	8.6
151.11168	27.5
151.84602	1.8
153.09131	2.7
153.12669	2.2
157.10129	2.8
159.11685	4.4
161.13306	11.2
163.11249	10.7
163.12428	2.1
163.14830	3.6
165.12764	2.6
171.10144	7.4
171.11588	4.1
173.13269	4.5
175.14847	3.0
177.12784	3.0
179.14240	8.7
181.12248	2.3
185.13264	3.5
189.11250	26.0
189.12794	3.9
193.12398	1.9
193.15865	3.1
199.14778	2.0
208.01491	1.8
221.15363	4.5
231.21088	5.0
235.16882	3.0
241.19560	8.6
249.22354	2.1
259.20572	13.8
277.21637	100.0
295.22784	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.14341	1.8
53.03941	5.2
55.05506	10.6
67.05504	32.3
69.07076	12.9
69.74583	9.3
71.05000	2.0
71.08639	39.1
74.15565	1.7
79.05497	30.5
81.03407	5.2
81.07063	35.0
83.04985	8.7
83.08626	7.9
85.06555	3.1
91.05474	15.4
93.07047	52.0
95.04968	7.6
95.08604	30.0
97.06528	9.1
97.10168	4.7
99.08102	30.7
101.74917	2.0
105.07037	13.7
107.04964	4.7
107.08601	25.8
109.06535	2.8
109.10163	13.3
111.08111	2.7
117.06982	3.9
119.08600	11.9
121.10149	24.7
129.07042	2.9
131.08588	2.7
133.10161	10.3
135.11705	31.0
137.09619	4.3
141.09093	2.5
141.75365	2.0
147.11687	3.4
149.13264	9.4
151.11220	11.9
153.12805	2.2
159.11691	2.6
161.13277	8.6
163.11230	4.4
163.14801	2.1
169.87440	1.9
177.12741	4.5
179.14319	100.0
189.12880	2.8
195.13908	4.1
221.15454	3.1
235.16957	6.7
241.19650	3.4
259.20523	3.4
277.21637	48.3
295.22647	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
52.54613	1.9
53.03743	2.0
53.03952	20.1
55.01868	5.7
55.05512	19.5
57.07071	5.0
67.05508	47.4
69.03411	2.6
69.07074	38.5
69.74940	10.8
69.89359	1.9
71.04993	3.2
71.08640	3.9
71.29406	2.0
76.78822	1.9
79.05495	27.3
81.02993	3.6
81.03426	55.5
81.07056	46.0
83.04993	15.0
83.08623	6.7
85.06517	2.2
85.10184	2.7
91.05468	17.1
93.07047	35.1
95.04974	36.5
95.08597	15.3
97.06530	4.4
97.10188	6.0
105.07043	15.8
107.08598	23.4
109.06512	6.0
109.10172	16.3
111.08064	2.9
117.07050	3.1
119.08590	7.7
121.10152	8.7
123.08045	4.7
123.11712	7.5
125.09628	5.3
127.68394	1.9
129.07021	2.1
131.08511	3.4
132.04123	1.9
133.10123	17.0
133.31697	1.7
135.08034	4.5
135.11705	3.3
135.84399	1.9
143.08583	2.0
145.10110	2.5
147.11682	12.5
149.13251	7.6
151.11185	39.2
153.09117	5.3
161.13303	12.6
163.14807	4.4
165.12791	9.9
171.10188	2.6
171.11665	4.3
175.11314	2.8
175.14749	2.8
179.14340	5.2
193.12309	2.6
207.13712	2.8
231.21112	11.0
241.19572	7.2
249.22200	6.1
259.20581	10.1
264.17368	2.0
277.21649	100.0
277.24738	5.2
295.22577	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	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03957	11.4
55.01864	7.7
55.02108	1.7
55.05515	28.6
57.03422	3.8
57.07077	8.8
58.31950	1.7
64.71896	1.3
66.06818	1.6
67.05509	65.2
69.03437	9.2
69.07070	22.9
70.60836	3.6
70.61195	2.6
71.04983	3.7
71.08624	3.6
79.05499	36.6
81.03427	49.0
81.07060	41.2
83.04990	10.9
83.08634	8.6
85.06521	4.4
91.05485	18.1
93.06493	3.0
93.07051	46.5
95.04972	27.2
95.08618	31.6
97.06517	7.5
97.10192	9.7
99.08074	4.8
105.07032	12.8
107.04896	1.9
107.08591	21.5
109.06523	3.5
109.10172	28.0
111.11702	2.1
117.07005	4.9
119.08590	14.0
121.06486	2.9
121.10154	26.2
122.06846	1.7
123.08053	3.5
123.11748	8.8
125.09618	3.0
131.08556	5.0
133.10138	15.5
135.11688	18.2
137.09634	26.9
139.11183	5.8
143.08568	3.0
145.10199	2.3
147.11673	9.7
149.09625	3.0
149.13248	14.8
151.11197	8.3
157.10101	3.7
159.11710	6.4
161.13240	6.9
163.11087	3.0
163.14818	4.3
165.12769	2.1
167.10713	2.6
171.11652	3.7
173.13348	8.1
175.14816	3.3
177.12871	2.2
177.16441	2.1
179.14310	3.7
185.13228	6.8
189.12589	1.8
191.14444	2.6
193.12250	3.8
199.14906	2.2
203.12770	5.6
213.00227	2.2
221.15376	4.0
231.21030	2.6
235.08502	1.6
241.19576	6.5
249.22107	7.2
259.20596	5.2
277.21643	100.0
295.21887	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9-Oxo-10,12-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03938	3.4
55.01636	1.4
55.01875	22.0
55.05515	38.4
57.03439	2.9
57.07085	8.0
65.03928	2.6
67.05508	59.2
69.03428	4.3
69.07073	25.4
70.69872	2.1
70.70177	1.9
71.04980	4.6
71.08635	34.6
73.04520	1.2
79.05496	37.5
81.03426	11.4
81.07061	59.7
83.04980	12.9
83.08155	2.0
83.08625	30.8
85.06529	3.9
85.10172	7.7
91.05491	26.6
93.07047	42.1
93.07637	2.2
95.04967	13.8
95.08614	33.6
97.06541	15.3
97.10181	17.1
99.08093	25.3
102.23109	1.4
105.07037	25.5
107.04948	5.1
107.08596	25.5
109.06521	5.3
109.10174	18.5
111.08092	23.2
111.11723	1.5
113.09642	10.6
117.07016	3.2
119.08594	16.7
121.06513	1.3
121.10158	15.5
123.08066	6.1
123.11710	11.2
125.09649	15.1
129.07002	3.7
129.35501	1.4
131.08549	6.6
133.10143	17.8
135.08061	2.7
135.11699	15.2
137.09639	7.9
137.13225	2.3
137.71288	1.2
139.07530	2.2
139.11176	6.1
143.08572	4.1
145.10176	6.8
147.07996	1.5
147.11694	20.0
149.09605	5.0
149.13286	14.2
151.11194	27.3
153.12726	4.5
157.10144	3.0
159.11726	3.4
161.09711	1.6
161.13274	14.6
163.11200	11.3
163.14824	3.3
165.12770	18.2
167.14299	1.6
171.10226	2.6
171.11699	3.6
173.13254	3.4
175.11180	3.4
175.14781	4.0
175.66385	1.1
177.12807	1.7
179.14343	11.7
181.12270	3.9
185.13268	4.4
189.11238	8.2
189.12758	2.6
193.12257	2.7
193.15919	3.0
193.17696	1.3
199.14909	1.8
202.80704	1.3
207.13747	2.7
213.16515	1.8
217.19458	2.6
221.15359	2.8
231.17563	1.3
231.21088	4.3
235.16898	1.7
241.19553	7.8
249.22160	8.4
259.20572	15.6
268.15793	1.2
277.21643	100.0
295.22684	53.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
52.90179	1.3
53.03934	2.6
53.25708	1.5
54.58568	1.4
55.01878	46.6
55.05511	34.2
56.96572	1.9
57.03440	3.0
57.07074	9.3
65.03930	2.8
67.05508	70.5
69.03419	3.4
69.07073	26.1
69.76711	9.1
71.04987	4.3
71.08632	20.1
73.49109	1.6
79.05068	2.8
79.05495	32.2
81.03422	10.7
81.07059	66.4
83.04983	14.1
83.08624	21.8
85.02908	2.0
85.06548	4.2
85.10176	10.2
86.09720	3.3
87.04483	3.4
91.05479	27.5
93.07047	39.2
94.07380	1.6
95.04982	16.2
95.08614	53.6
97.06525	15.6
97.10193	7.7
98.21525	1.8
99.08096	15.5
101.06011	1.8
105.07036	21.6
107.04961	7.8
107.08606	21.2
109.06515	6.4
109.10162	29.2
111.08090	56.4
113.09654	12.9
115.08430	1.4
117.07008	4.9
119.08582	19.5
121.06499	1.8
121.10159	15.2
123.08110	7.4
123.11710	10.6
125.00010	1.7
125.09622	5.7
129.07018	5.6
131.08553	7.1
133.10135	21.2
135.08058	1.9
135.11691	12.0
137.09612	4.1
137.13243	4.1
139.11191	5.6
143.08578	4.6
145.10110	6.9
147.10620	2.4
147.11688	15.0
149.09637	9.6
149.13300	8.8
151.11198	19.8
151.14807	2.3
153.12749	4.5
157.10161	2.8
159.11726	3.5
161.13268	11.0
161.52568	1.8
163.11195	10.2
165.12779	21.5
167.14371	2.7
171.11763	3.9
173.13257	1.9
175.11183	5.9
175.14851	5.7
179.14342	9.4
181.12251	2.4
184.07368	3.8
185.13306	3.2
189.12804	2.8
189.16277	1.6
193.12236	3.8
221.15366	4.0
231.21066	5.1
241.19534	5.0
249.22127	6.3
259.20602	14.7
266.39719	1.7
277.21631	100.0
295.06006	3.5
295.22711	66.5
301.85709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
53.19481	1.9
53.65802	2.0
55.01859	6.3
55.05512	48.5
57.03422	3.6
57.07071	4.3
65.03938	2.0
67.05509	85.3
69.03413	5.7
69.07071	23.2
69.24516	1.9
70.81401	5.5
71.05006	3.8
71.08291	2.6
71.08640	33.1
71.57340	2.4
77.87680	1.7
78.71386	1.7
79.05066	3.1
79.05492	37.5
81.03419	15.1
81.07059	50.0
83.04988	9.4
83.08611	19.3
85.06540	7.0
91.05070	1.8
91.05494	18.8
93.07048	39.0
94.07478	1.8
95.04976	11.9
95.08611	41.6
97.06570	9.6
97.10170	36.4
99.08092	26.8
103.98099	2.1
105.07026	16.8
107.04955	2.9
107.08599	34.5
109.06535	4.8
109.10153	25.5
111.08049	4.5
112.51264	1.6
117.07024	5.1
119.08598	13.4
121.10149	17.1
123.11703	5.1
125.09637	30.2
129.07005	3.7
131.08545	5.9
133.10117	11.1
135.07994	6.0
135.11693	15.8
137.06001	9.8
137.06979	2.0
137.13239	2.8
138.06310	7.6
138.24086	2.1
139.11134	1.8
143.08559	3.6
145.10118	4.8
147.11702	8.8
149.13266	8.6
151.11168	27.5
151.84602	1.8
153.09131	2.7
153.12669	2.2
157.10129	2.8
159.11685	4.4
161.13306	11.2
163.11249	10.7
163.12428	2.1
163.14830	3.6
165.12764	2.6
171.10144	7.4
171.11588	4.1
173.13269	4.5
175.14847	3.0
177.12784	3.0
179.14240	8.7
181.12248	2.3
185.13264	3.5
189.11250	26.0
189.12794	3.9
193.12398	1.9
193.15865	3.1
199.14778	2.0
208.01491	1.8
221.15363	4.5
231.21088	5.0
235.16882	3.0
241.19560	8.6
249.22354	2.1
259.20572	13.8
277.21637	100.0
295.22784	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	295.2269
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
50.96180	0.5
52.97635	0.5
53.03954	3.4
55.01870	2.4
55.05277	0.8
55.05515	10.6
57.03432	2.3
57.07072	1.9
65.03920	0.9
67.05508	27.3
69.03438	2.3
69.07069	12.6
69.93919	1.0
69.94315	1.2
71.04987	2.4
71.08638	15.9
73.06548	0.6
79.05496	13.1
81.03423	12.1
81.06597	1.1
81.07062	18.3
83.04976	6.0
83.08616	3.3
85.06561	2.3
86.09722	1.1
91.05489	7.8
93.07050	20.4
95.04975	12.6
95.08611	15.0
95.09539	0.5
97.06548	4.3
97.10168	3.5
98.20887	0.5
99.08099	8.9
105.07030	5.4
107.04977	0.7
107.08596	8.3
108.54252	0.5
109.06528	2.6
109.10163	9.5
117.07018	1.6
119.08586	5.2
119.09393	0.7
121.09337	0.6
121.10152	7.9
123.08058	1.9
123.11692	2.0
127.11168	1.0
129.06995	0.5
131.08559	1.6
133.09393	0.5
133.10158	5.0
135.11693	3.5
137.09624	6.5
137.13185	0.7
139.11191	2.4
143.08574	0.9
145.10107	1.6
147.11676	2.6
149.09601	0.9
149.13242	2.1
151.11183	15.6
153.12755	1.4
157.10121	0.5
159.11609	1.1
161.13277	2.7
163.11227	2.1
165.12782	1.7
173.13284	0.8
175.14890	1.4
179.14308	3.1
184.07387	2.5
185.13303	1.0
193.15895	1.1
198.03842	0.5
203.12788	1.1
203.14488	0.7
207.13948	0.6
208.46504	0.5
221.15413	3.3
241.19658	0.9
249.22182	1.4
259.20554	1.3
277.21643	55.7
295.22693	100.0
296.23117	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
53.03947	3.5
55.01874	49.3
55.05275	2.6
55.05514	31.9
56.63599	1.8
57.07068	10.9
59.81419	1.4
67.05508	41.6
69.03430	3.3
69.07076	20.3
70.37925	3.6
70.38322	5.2
71.04982	2.5
71.08635	23.3
79.05492	23.6
81.03004	2.0
81.03414	12.9
81.07060	44.8
81.09435	1.7
83.04993	17.5
83.08633	21.2
85.06531	3.8
85.10185	12.6
86.09686	2.1
91.05476	27.8
93.06503	2.3
93.07046	26.3
95.04982	9.2
95.08611	33.7
97.06520	14.4
97.10160	5.1
99.08100	18.0
105.07014	17.6
107.04973	3.9
107.08601	17.0
107.58865	1.8
109.06518	6.2
109.10157	14.9
111.08086	65.0
113.09650	14.3
117.07011	3.1
119.08585	13.9
121.10126	14.1
123.08064	5.7
123.11703	4.0
125.09628	4.6
127.07523	2.4
127.11164	3.2
129.07018	3.8
131.08577	6.0
133.10132	21.8
135.11711	10.8
137.09592	2.1
139.11171	6.7
143.08615	4.3
145.10101	4.0
147.11691	19.1
149.09651	9.8
149.13274	9.7
151.11189	18.1
153.12737	4.4
157.10110	3.1
161.13264	11.4
163.11211	7.7
165.12749	24.4
171.11729	3.2
173.13307	2.9
175.11230	5.1
175.14806	3.3
179.14275	10.2
184.07358	3.3
185.13370	2.6
189.12842	2.2
193.12245	8.0
207.13716	3.6
211.13287	3.3
221.15393	3.0
231.20995	4.3
241.19518	5.1
249.22107	6.6
259.20596	12.0
270.73315	1.7
277.21628	100.0
295.22693	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03940	2.8
55.01857	5.9
55.05512	22.5
57.03432	2.0
57.07081	11.2
67.05505	22.3
69.03420	1.5
69.07065	11.2
69.53427	6.3
69.53852	5.0
71.08630	3.4
73.02901	2.4
73.06538	6.0
79.05065	2.5
79.05490	23.1
81.07059	29.0
83.04974	6.9
83.08628	11.8
83.30904	1.8
85.02922	9.4
91.05489	11.0
93.07038	22.8
95.04959	6.4
95.08604	17.5
95.24084	1.6
97.06553	15.5
97.10176	10.1
98.21515	2.3
101.02375	4.6
102.45077	1.6
105.07029	14.1
107.08599	18.1
109.06492	5.8
109.10129	10.4
111.04409	2.5
111.08105	1.9
111.11732	2.1
117.06989	3.0
119.08582	10.3
121.10141	10.2
123.08063	3.4
123.11688	4.0
124.64810	1.8
129.07011	4.1
131.08580	2.5
133.10129	8.3
135.11656	7.9
136.93163	1.6
137.09608	3.9
137.13283	2.1
139.11160	3.5
147.11667	8.9
149.09520	1.7
149.13242	6.8
151.11229	2.0
153.12738	4.9
154.94160	2.0
157.10118	3.1
161.09618	2.5
161.13312	12.2
163.14833	3.1
165.05396	1.6
165.12767	9.4
171.11719	6.8
175.11176	3.4
175.14799	5.2
177.16380	3.2
179.14244	8.5
181.12250	10.6
185.13226	3.0
189.12750	2.6
193.12167	2.5
193.15891	3.8
207.13777	9.3
221.11710	12.6
221.15268	1.7
231.21021	10.1
239.12717	2.7
241.19478	9.3
249.22163	15.5
259.20596	17.4
277.21619	100.0
295.18945	3.8
295.22653	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	295.2269
Annotation	9-HOTrE
Peak:m/z	Relative Intensity
53.03939	7.5
55.01870	27.5
55.05236	3.4
55.05510	60.7
55.74438	2.1
57.03432	7.0
57.07059	5.8
65.03922	2.7
67.05508	70.7
69.03407	6.1
69.07070	34.7
69.26080	2.0
70.64819	7.1
70.82351	2.3
71.04979	6.6
71.08638	27.2
79.05495	43.9
81.03416	8.6
81.07062	71.6
83.04984	18.1
83.08623	32.1
85.06560	6.4
85.10160	6.3
91.05482	36.7
93.06496	3.6
93.07046	54.7
94.11631	2.1
95.04962	14.4
95.08613	39.2
95.97289	2.1
97.06532	13.9
97.10181	17.5
99.08088	24.5
100.77396	2.0
105.07033	25.2
107.04968	2.8
107.08601	31.2
109.06493	5.5
109.10172	20.1
111.08087	32.5
113.09642	6.4
117.07008	8.5
119.08580	20.4
121.10149	19.2
123.08057	4.9
123.11690	7.3
125.09636	19.2
129.06970	3.1
131.08562	8.6
133.10130	25.6
135.11688	20.4
137.09627	3.3
137.13184	2.6
139.11191	11.0
143.08559	2.7
145.10135	5.9
147.11703	18.2
149.09621	6.9
149.13248	18.6
151.11185	21.2
153.12657	3.5
157.10112	5.5
159.11678	8.9
161.13242	11.5
163.11162	6.3
163.14830	4.3
165.12738	10.4
171.10211	2.7
171.11659	4.3
173.13254	4.6
175.11273	4.2
175.14781	3.3
179.14284	6.9
179.47794	2.1
185.13193	5.4
189.11137	10.7
193.12190	5.4
193.15771	2.5
195.13750	8.7
199.14847	2.1
201.84250	2.0
231.21164	4.0
241.19453	5.0
249.22096	5.7
259.20514	13.0
277.21628	100.0
295.22699	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	9(S)-HOT
Peak:m/z	Relative Intensity
53.03942	6.4
55.01873	20.1
55.05513	44.3
57.03427	3.9
57.07066	8.3
62.64576	2.8
65.08079	2.3
67.05508	79.4
69.03429	3.7
69.07072	29.8
70.61603	6.1
70.61937	4.4
71.04992	4.3
71.08636	15.5
79.05495	49.8
81.03414	9.9
81.07065	68.3
83.04989	20.0
83.08622	27.6
85.06554	6.0
85.10185	4.3
91.05486	30.5
93.07053	52.9
93.07625	3.4
95.04993	12.4
95.08615	40.8
95.09187	4.4
97.06534	10.4
97.10177	21.6
99.08110	16.8
105.07050	24.5
107.04977	4.4
107.08600	35.0
109.06543	6.9
109.10163	26.6
111.08104	25.3
113.09644	5.4
117.07009	7.3
119.08606	18.8
121.06442	3.4
121.10144	20.2
123.08062	4.5
123.11703	9.5
125.09647	13.6
129.07056	4.0
131.08556	7.2
133.10135	24.4
135.11690	15.4
137.09581	8.7
137.13304	3.0
139.07570	2.5
139.11180	11.0
143.08548	5.0
145.10104	6.2
147.11652	14.2
149.13249	13.5
151.11217	12.8
157.10144	4.8
159.11729	6.2
161.13260	14.1
163.11166	6.2
165.12781	12.7
171.11658	5.4
175.11160	4.1
175.14838	6.2
179.14336	4.0
184.07407	3.0
189.11214	17.2
193.12213	4.4
195.13831	4.7
221.15443	3.4
231.21031	3.7
241.19640	5.1
249.22195	5.6
259.20514	10.8
277.21637	100.0
295.22693	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Methyl linoleate
Peak:m/z	Relative Intensity
53.16364	4.8
55.05520	48.7
57.07076	29.1
67.05507	69.7
69.07077	88.2
69.20679	51.2
70.11041	5.1
71.04978	9.8
71.08626	22.3
74.46304	7.5
79.05484	25.0
81.03400	6.4
81.06599	7.0
81.07058	100.0
81.41140	5.8
83.04967	15.0
83.08627	75.1
91.05484	19.8
91.72759	5.7
93.07052	40.7
95.04966	11.0
95.08078	6.9
95.08616	80.7
97.06528	16.8
97.08548	5.0
97.10193	49.9
99.08083	6.8
105.07024	24.6
107.08584	27.0
109.06544	7.2
109.10182	58.7
111.08075	12.3
111.11708	19.1
115.07645	6.8
116.80997	6.0
119.08556	27.8
121.10143	36.6
123.11706	22.6
125.09689	11.3
128.89867	5.5
133.10152	30.0
135.11678	23.6
137.09671	7.4
147.11693	28.1
149.13232	18.0
151.11163	18.2
161.13261	21.0
163.14758	11.4
165.12767	6.9
165.16350	8.6
167.14395	6.9
171.48071	5.1
175.14795	20.0
179.14351	11.6
189.16365	8.8
193.15990	6.3
216.72502	6.5
219.21106	7.9
221.22594	8.4
241.44516	5.8
245.22693	63.1
263.23691	70.2
277.21695	17.8
295.16949	8.8
295.22638	15.3
295.26425	12.6
295.29837	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	296.1355
Annotation	N6,N6-Dimethyladenosine
Peak:m/z	Relative Intensity
55.01872	0.8
56.35300	0.1
57.03445	1.2
61.02933	0.3
68.69388	0.2
69.03416	0.7
71.01352	0.5
71.06101	0.4
71.14729	0.3
72.69607	0.1
73.02917	0.8
81.07072	0.2
84.04467	0.2
85.02898	1.0
87.04461	0.4
94.04058	0.3
97.02889	0.3
98.97602	0.3
103.03990	0.2
115.03924	0.4
119.07457	0.1
120.08119	0.4
121.05105	0.5
122.05952	0.2
123.06693	0.3
133.04980	0.2
136.06187	0.4
136.07573	0.2
137.07986	0.2
149.06973	0.6
150.07707	0.3
162.04056	0.2
162.07732	0.4
164.09323	100.0
165.09721	0.2
166.12202	0.2
250.10739	0.3
252.16054	0.3
273.00665	0.4
296.13538	25.6
296.18234	0.9
297.13266	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	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.03949	1.4
55.01862	1.5
55.05513	11.6
57.01307	1.1
57.03439	2.0
57.07074	4.6
67.05511	33.7
69.07073	11.4
70.15659	4.8
71.04987	1.5
71.08636	100.0
72.92555	1.1
79.05076	1.2
79.05502	14.7
81.07063	51.1
83.04972	4.1
83.08627	12.0
85.06543	4.4
91.05486	13.5
92.95165	1.2
93.07052	16.1
95.08612	32.2
96.50031	1.3
97.06528	5.2
97.10162	5.1
99.08099	88.0
105.07033	15.5
107.08599	10.0
109.10170	10.6
111.08062	2.6
113.09624	2.7
117.06993	2.7
117.09124	1.3
119.08612	9.7
121.10159	10.8
123.11709	6.3
125.09618	2.4
127.11192	4.2
128.46384	1.3
131.02016	1.2
131.08614	6.7
133.10095	2.3
135.11700	6.6
137.13271	5.6
138.51941	1.2
139.11130	2.3
141.09096	1.3
141.12711	2.3
145.10123	5.4
147.11697	45.5
149.09654	2.2
149.13266	4.4
150.20723	1.2
151.14816	1.6
153.12747	9.5
159.11688	2.2
161.13214	3.3
161.58788	1.3
163.11182	10.8
163.14830	16.9
165.12766	15.9
167.14342	4.8
169.12283	1.5
173.13284	4.7
175.14833	2.5
177.16353	2.1
181.15866	9.9
209.15359	1.4
233.22708	3.3
243.21086	15.0
248.20976	1.3
261.22137	24.5
267.37009	1.2
279.23215	78.5
297.24100	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	297.2426
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01862	9.9
55.05279	4.1
55.05519	59.0
57.03430	7.0
57.07078	14.9
59.05009	3.4
59.57936	2.1
67.05510	78.8
69.03429	4.2
69.06738	4.1
69.07076	54.3
69.49171	15.0
71.01364	2.8
71.04996	6.1
71.08636	17.9
77.39865	2.3
79.05076	2.8
79.05505	35.3
81.07063	83.9
83.04984	8.4
83.08152	3.1
83.08625	37.6
85.06547	3.9
85.10160	3.6
91.05484	14.0
93.07046	33.3
93.41206	2.3
93.96089	2.1
95.04953	4.0
95.08615	66.6
97.06525	9.7
97.10184	51.3
98.20718	4.2
99.08087	15.8
105.07020	9.7
107.08614	32.4
109.06502	3.1
109.10164	44.6
111.08055	6.6
111.11737	4.9
112.89118	2.6
113.06042	2.9
116.05325	3.1
117.07024	5.5
119.08572	9.7
121.10143	19.9
123.11715	16.0
125.09631	29.4
131.08578	7.1
133.10123	6.8
135.08060	5.5
135.11717	26.6
137.13269	10.5
142.27481	2.1
145.10123	6.1
147.11676	7.0
149.13264	7.4
151.07610	3.3
151.14755	2.9
153.12730	12.7
157.10095	2.8
159.11688	6.6
161.13254	4.2
163.11197	4.1
163.14841	6.6
165.12856	3.9
169.15904	4.0
171.10210	3.8
173.11742	5.0
173.13126	4.0
175.14809	3.1
177.16368	3.2
181.15848	5.2
183.13811	40.4
187.14793	4.8
189.11255	21.5
209.15352	5.0
223.16949	3.6
224.57799	2.3
233.22704	5.1
243.21078	11.3
251.23671	8.8
261.22192	31.8
273.34872	2.3
279.23203	100.0
297.18469	6.2
297.24420	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	298.0969
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.64246	0.2
61.00843	0.3
61.01150	4.2
69.03429	0.4
70.68717	0.4
74.08359	0.2
75.02705	2.1
94.04063	0.5
97.02895	1.7
103.02156	0.4
106.15979	0.2
119.03532	0.9
134.72920	0.2
136.06190	100.0
137.04575	0.4
137.06557	0.4
145.03192	1.5
163.04247	1.5
298.09708	4.7
298.13046	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60280	1.2
55.01858	6.3
55.05505	6.4
56.05029	3.6
57.03433	8.3
57.07111	1.7
67.05508	12.3
68.05021	4.4
69.03420	2.7
69.07090	8.5
70.06593	2.6
70.46528	4.6
72.04511	3.8
72.08146	5.9
79.05076	2.2
79.05504	35.2
80.05022	1.6
81.07080	10.4
82.02959	12.5
82.06591	16.6
83.04976	2.1
83.08631	2.9
84.04514	16.8
85.02894	2.4
86.09705	4.4
87.04471	2.4
88.07637	1.9
91.05505	7.6
93.03386	1.5
93.07037	9.4
93.69347	1.4
95.04962	2.0
95.08624	2.9
97.06539	48.9
97.10165	4.2
98.06030	3.3
100.03991	21.7
105.07037	4.5
107.08604	88.8
108.08179	1.5
109.06528	2.5
109.10155	8.9
110.02396	3.3
110.06045	23.6
111.04433	4.9
112.07630	1.7
115.05481	1.7
125.09634	14.2
126.05521	27.0
128.03448	100.0
130.15910	4.3
134.09642	2.0
135.08075	28.2
136.03920	4.9
136.06212	27.7
136.07274	2.3
136.07645	1.3
138.05513	5.3
145.06491	1.6
145.27600	1.7
148.04181	1.8
150.05499	3.0
151.07524	2.1
152.10718	7.3
153.09125	44.5
154.05011	20.6
156.06551	3.7
160.11191	2.7
162.12784	2.9
163.04016	2.0
164.10736	2.6
168.06534	3.9
171.10194	6.4
178.04991	1.6
182.04654	1.6
188.10657	8.2
190.12280	9.7
206.11777	17.4
208.13429	2.1
210.11279	4.2
216.10161	3.6
218.08136	1.5
218.11772	4.8
224.12849	1.8
228.06415	1.8
234.11288	43.1
236.12788	9.0
244.09755	4.0
252.12328	25.8
262.10800	20.0
266.13928	4.0
270.13449	12.4
280.11792	10.9
298.09470	2.5
298.13123	3.1
298.16501	9.3
298.19522	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	299.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.6
56.96567	19.9
57.07063	2.3
67.05507	10.6
69.03407	1.8
69.07071	7.1
71.04980	2.7
71.08633	1.9
71.52110	2.2
71.95269	1.9
79.05491	7.3
81.03391	2.6
81.07059	11.5
81.77230	1.4
83.04980	2.2
83.08613	3.4
85.06502	1.5
91.05492	10.0
93.07066	9.7
95.04958	4.2
95.08627	9.0
97.06500	2.8
97.10148	2.0
105.07024	10.3
107.08589	6.8
109.02851	1.6
109.06499	1.9
109.10165	7.5
111.04453	1.5
116.07085	2.0
116.48880	1.3
117.07030	5.4
119.08590	8.6
121.06493	1.9
121.10140	5.2
123.11704	2.6
128.06195	1.6
129.07014	8.1
131.04880	1.5
131.08563	6.8
133.10135	8.0
135.08022	2.8
135.11646	2.3
136.07689	1.7
139.00642	2.2
141.06984	1.7
142.07829	1.8
143.08568	5.5
145.10112	9.2
147.11691	2.7
153.02219	1.9
154.28979	1.6
155.03912	1.7
155.08548	3.9
157.01721	2.1
157.10120	4.9
159.07988	2.0
159.11671	4.3
161.09610	3.4
161.13272	2.8
163.11185	1.5
167.03809	3.0
169.01756	2.2
169.10124	4.0
171.03267	3.3
171.11681	5.1
173.13329	2.1
175.07555	3.9
181.10220	1.7
185.04855	9.3
185.13283	2.8
187.07639	1.7
187.14848	2.0
189.09042	3.1
193.05328	1.7
195.11737	2.0
197.04849	1.5
197.13252	4.9
197.14899	1.5
199.14821	4.0
201.09067	2.8
203.05905	8.2
211.06500	2.5
211.11224	2.6
211.14841	1.8
221.08438	2.0
223.06477	3.5
225.16481	1.9
229.07622	2.3
229.12386	2.1
241.07518	4.0
249.07967	12.0
251.18701	1.5
253.15945	3.5
253.19566	4.3
255.09122	2.8
255.17532	1.8
257.15543	1.8
267.09045	100.0
267.22470	1.5
271.16946	4.2
271.20529	1.9
281.12924	2.0
281.15701	2.0
281.18964	4.3
285.10120	85.1
290.10617	6.7
298.44165	1.7
299.05569	4.3
299.12198	38.1
299.16232	3.7
299.19986	39.6
299.23358	3.0
308.11664	9.6
317.12744	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	8.0
53.03933	3.0
55.01861	6.0
55.05514	30.7
57.03447	23.4
57.07059	3.2
59.04992	6.6
61.71987	2.1
67.05513	24.5
69.03437	2.3
69.07068	5.9
71.01341	8.0
71.50150	2.2
71.52977	2.9
78.98251	2.2
79.05500	13.9
81.03407	7.7
81.06602	2.3
81.07064	31.0
83.04969	4.2
83.08636	19.6
85.06550	3.2
91.05483	27.4
93.07046	23.5
95.04958	7.7
95.08596	9.5
97.02888	9.1
97.06536	6.9
97.10151	2.7
99.00816	34.8
99.04480	2.3
105.07038	26.4
107.04959	7.4
107.08602	12.3
109.02902	17.5
109.06511	3.4
109.10151	11.0
111.08066	5.1
115.03941	4.2
117.07001	7.5
119.04888	2.9
119.08574	18.6
121.06487	9.4
123.04475	2.6
123.08083	2.7
123.11729	6.2
127.03925	5.2
128.06248	3.6
133.10135	62.9
135.11703	3.0
137.05971	3.3
139.07550	7.0
143.08543	10.4
151.11201	23.0
161.09648	31.3
171.08073	6.9
179.10690	21.2
189.09143	22.0
197.11760	13.3
207.10194	9.4
225.11259	38.9
243.12338	5.5
299.14896	100.0
299.20020	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	299.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06250	1.2
53.00317	12.2
53.03944	4.6
55.01881	8.7
55.05516	36.9
55.55218	1.1
57.03445	28.7
57.07074	2.2
59.05000	5.9
67.05515	18.9
68.06213	1.2
69.03428	3.2
69.07066	5.6
71.01344	4.0
71.04985	1.6
73.02928	1.9
79.05500	16.0
81.03436	7.8
81.07064	35.1
83.01346	1.5
83.04972	5.7
83.08627	25.0
85.06548	2.6
91.04921	2.1
91.05490	38.6
93.06490	1.6
93.07054	27.1
95.04983	7.9
95.08607	9.0
97.02901	8.5
97.06536	4.9
97.10190	2.1
99.00823	46.2
99.04446	2.1
103.05463	3.4
104.28384	1.3
105.07045	27.9
107.04937	10.2
107.08607	13.0
109.02888	19.0
109.06522	5.7
109.10138	9.5
111.04494	1.9
111.08096	7.0
113.06011	1.5
115.03922	4.8
117.07027	5.1
119.04936	3.2
119.08582	18.5
121.02892	1.2
121.06510	15.2
123.04429	4.4
123.08115	2.4
123.11704	3.9
127.03928	5.6
128.06262	2.8
129.06990	1.3
131.08595	2.4
133.06506	3.8
133.10139	66.9
135.08080	2.9
135.11748	1.5
137.06010	2.1
137.09596	3.6
139.07536	6.3
141.05418	1.7
143.08597	8.5
145.06493	1.9
147.08034	2.5
151.11197	24.2
160.18683	1.2
161.08313	2.6
161.09627	43.0
165.09160	1.5
171.08104	8.7
179.10689	26.7
189.09116	26.6
197.11740	11.7
207.10153	12.3
218.34489	1.2
225.11234	42.7
243.12314	5.2
299.14908	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.4
55.01878	2.5
55.05516	8.2
57.03442	4.9
57.07074	1.8
57.81559	1.0
57.97831	0.8
59.04996	3.9
61.92258	0.9
65.03932	1.6
66.50625	0.8
67.05508	30.8
68.34415	0.8
69.03430	3.0
69.07073	8.4
70.06597	2.2
71.05000	10.2
71.52405	1.5
79.05492	15.5
81.03422	48.4
81.07063	26.4
83.04985	5.9
83.08624	5.1
85.02923	2.3
85.06554	5.7
86.09708	1.3
87.04466	1.6
91.05479	21.2
91.06018	1.3
93.07043	20.8
95.04973	100.0
95.08618	19.8
97.02909	1.8
97.06530	5.8
97.10194	1.5
98.97573	2.4
99.04440	1.2
99.08114	2.2
101.06052	1.8
103.03975	1.3
103.05499	1.8
105.06328	1.4
105.07038	19.1
105.66380	0.8
107.04971	4.5
107.08604	10.6
109.02888	2.1
109.06522	4.2
109.10166	13.9
111.04434	1.0
111.08083	3.4
113.05974	1.1
115.05487	1.5
116.07066	1.3
117.07034	6.1
119.08595	9.8
121.06512	8.6
121.10150	10.4
123.08072	2.4
125.02409	2.4
125.06015	1.0
125.09664	0.9
127.03954	1.1
128.06241	1.2
129.05411	1.2
129.07028	4.9
131.08577	13.2
133.06509	3.0
133.10133	9.9
135.08093	4.9
135.11690	3.0
137.09605	3.7
139.03984	0.9
141.07019	1.4
142.07758	1.1
143.08575	4.1
145.10146	8.9
146.65558	0.9
147.08012	1.1
147.11691	11.0
149.09650	6.4
149.13281	2.0
151.11171	1.7
155.08588	2.6
156.09294	1.2
157.10141	8.0
159.11687	7.5
161.09647	2.1
161.13304	1.2
163.11201	2.2
165.12708	2.2
169.10063	1.4
171.11732	4.2
173.09724	0.9
173.11749	4.3
173.13298	6.8
175.11160	6.9
177.12756	2.3
183.11664	4.3
185.09692	1.1
185.13272	2.2
187.11198	1.2
189.12822	2.2
191.10701	1.2
191.14310	2.5
193.12218	6.2
197.13393	1.4
197.15350	1.5
199.11125	1.9
199.14717	1.5
201.12752	11.8
205.12195	1.5
207.13860	4.0
211.13182	1.3
213.12750	1.3
215.14406	1.6
217.12282	2.2
219.13792	7.6
223.13271	1.8
225.14728	1.2
235.13283	8.1
237.14853	11.1
241.14314	5.5
243.06421	1.0
253.03204	1.0
253.14166	1.3
253.19550	1.8
267.15939	36.9
271.20465	1.1
278.12830	1.6
281.13742	1.3
281.18961	2.4
299.05646	3.7
299.09320	1.6
299.19836	14.4
322.26852	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.01865	5.5
55.05511	11.7
57.03442	12.2
57.07069	1.5
59.05000	5.0
61.02917	1.1
65.03944	2.7
67.05507	40.2
68.54283	1.3
69.03430	4.7
69.07068	16.0
70.06595	3.1
71.04996	16.3
71.52441	1.5
79.05495	31.9
81.03421	52.2
81.07061	40.5
83.04971	6.3
83.08630	9.1
85.02911	2.5
85.06551	10.6
86.09746	2.0
87.04478	1.9
88.80669	1.1
91.04915	1.3
91.05486	32.6
93.07050	33.3
95.04971	100.0
95.08611	22.7
97.02905	1.9
97.06530	12.0
97.10162	2.6
98.97579	1.3
99.04476	2.0
99.08086	2.6
103.03947	3.6
103.05450	2.3
105.07039	27.9
107.04952	4.4
107.08598	17.9
109.02877	2.0
109.06496	8.0
109.10157	19.5
111.04459	3.0
111.08092	3.8
112.01988	1.5
113.05939	1.8
116.07087	3.3
117.07025	7.0
119.08590	20.4
121.06512	8.6
121.10137	23.3
123.08062	4.7
123.11739	2.7
125.02328	2.2
125.05995	1.9
125.09637	2.1
129.05476	2.6
129.07007	7.6
131.08583	17.3
133.06439	2.2
133.10124	14.1
135.07072	1.2
135.08069	8.4
135.11707	4.2
137.05962	2.1
137.09634	4.4
137.13254	2.0
139.11201	1.3
142.07875	2.5
143.08604	3.8
145.10094	6.9
147.08028	3.6
147.11693	16.3
149.09599	10.9
149.13229	1.6
151.07631	2.0
155.08528	3.0
157.10132	11.5
159.08078	1.5
159.11691	10.0
161.09621	3.6
163.11163	2.5
165.12724	2.6
169.10114	2.7
170.10806	1.5
171.11659	3.5
173.09624	2.2
173.11838	2.8
173.13283	5.3
175.11172	12.3
177.12801	3.4
177.69203	1.2
181.10059	1.5
183.11746	5.1
185.13307	1.9
187.11272	1.7
189.09207	1.6
189.12724	4.0
191.10716	2.6
191.14326	2.0
193.12253	10.6
197.13342	2.4
199.11111	1.6
199.14897	2.0
201.12801	8.5
205.12207	1.9
207.13817	3.7
211.15039	1.5
213.12694	2.1
215.14391	1.6
217.12280	3.1
219.13782	6.1
223.13297	2.0
225.12837	1.5
225.14810	3.6
235.13309	5.8
237.14754	7.0
241.14259	12.2
243.13846	1.8
253.19623	1.7
255.15797	2.0
263.13031	1.3
267.15924	84.5
268.16095	1.5
278.12881	3.0
281.19156	3.3
299.05438	3.3
299.09274	3.7
299.18707	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	299.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05510	18.6
57.03436	4.8
57.07082	3.3
60.14466	1.4
65.03931	2.3
67.05186	2.4
67.05511	36.1
69.03417	2.5
69.07078	11.9
71.04983	1.4
71.52666	2.4
79.05497	51.6
81.03411	5.1
81.07058	40.3
83.05001	8.9
83.08622	13.5
85.06530	3.6
91.05486	43.7
93.07047	58.4
95.04974	9.8
95.08607	25.8
97.06528	3.4
97.10162	9.0
99.08027	1.5
103.05466	1.7
105.07030	33.1
107.04952	4.3
107.08599	17.5
109.02866	1.8
109.06519	5.7
109.10171	12.7
117.07025	15.2
119.04944	10.6
119.08586	27.0
121.06505	3.6
121.10152	6.1
123.04455	2.3
123.08078	5.8
123.11703	3.9
128.06213	3.8
129.07004	22.7
131.08548	19.7
133.06506	1.9
133.10121	16.1
135.04414	2.3
135.08026	3.0
135.11723	3.8
141.06964	3.1
142.07739	3.0
143.08568	18.4
145.06499	2.0
145.10126	18.5
147.04408	36.2
147.08063	1.7
147.11703	29.4
151.11098	2.0
155.08571	6.1
157.10138	9.3
159.08076	2.8
159.11690	7.0
161.06000	6.7
161.09599	4.1
161.13336	8.9
163.11255	3.0
165.09123	2.1
167.08624	1.9
169.10129	4.3
171.11703	24.0
173.05989	2.4
173.13284	3.6
175.07527	7.2
175.14847	4.1
183.08076	3.5
183.11708	5.4
185.13286	6.4
187.07553	7.7
187.11194	2.1
187.14891	2.0
189.09084	8.1
189.12796	9.7
197.13225	3.8
201.09122	5.6
203.10678	6.4
207.12056	2.6
207.13800	13.9
209.09729	1.5
209.13110	2.0
211.11299	2.4
211.14861	5.1
213.12756	3.2
215.10660	5.6
217.12256	1.9
225.16447	3.3
227.17874	3.1
229.12308	5.5
243.13802	3.4
253.19432	12.5
257.15436	1.7
267.11307	4.5
271.16922	14.8
271.20486	5.2
273.07932	2.4
281.17307	43.8
284.06821	7.5
299.05728	2.4
299.09238	14.5
299.20074	100.0
299.65601	1.7
300.40112	1.6
310.58734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	9.4
55.01883	3.7
55.05270	3.1
55.05514	31.2
57.03435	7.0
57.07073	3.4
59.74240	2.1
61.38789	2.6
65.03916	3.2
67.05509	62.9
69.03428	3.1
69.07068	18.2
69.30829	20.3
71.04970	4.9
73.06562	3.5
77.03929	2.8
79.05501	84.9
81.03419	8.5
81.07058	50.6
83.04984	18.8
83.08643	7.1
85.06549	4.8
91.05487	66.8
93.07050	98.0
95.04984	24.4
95.08622	32.5
97.06531	11.1
97.10187	6.0
105.04522	4.7
105.07029	54.9
107.04958	8.1
107.08596	28.6
109.06530	12.7
109.10177	6.7
111.04408	3.2
111.08061	3.4
115.05490	4.9
117.07021	13.3
119.08591	30.5
121.06501	5.0
121.10145	12.2
123.08062	9.7
125.09667	2.8
128.06241	6.2
129.06999	28.0
131.08582	16.1
133.10149	18.5
135.08061	3.9
135.11719	5.2
137.28278	2.5
143.08560	15.5
145.10127	16.7
147.04379	3.8
147.08073	3.6
147.11688	59.1
155.08595	4.7
157.10106	3.6
159.08093	7.9
159.11668	5.5
161.09639	6.2
161.13263	17.1
165.09067	3.4
165.12662	2.9
171.11702	45.4
175.07504	2.7
179.14287	3.2
180.63057	2.8
183.11728	5.2
185.13312	4.7
185.82921	3.0
187.07576	3.5
189.12787	18.9
197.13216	4.4
199.14948	3.1
203.10747	5.0
207.13814	38.6
225.12909	3.3
253.19489	5.2
271.17047	3.9
281.17422	100.0
284.06750	6.2
299.09103	14.9
299.16812	5.7
299.20007	53.2
322.83844	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2005
Annotation	Triptobenzene D
Peak:m/z	Relative Intensity
53.03940	2.8
55.05512	9.0
57.03421	2.0
60.97727	1.0
65.03915	1.2
67.05508	15.7
69.03429	3.1
69.07076	5.6
69.64415	6.4
78.71403	1.2
79.05499	20.8
81.07059	14.2
83.04971	4.3
83.08633	5.8
85.02879	1.3
91.05482	44.0
93.07047	24.4
93.07912	1.3
95.04980	5.7
95.08626	12.9
97.06505	3.3
97.10139	1.9
103.05504	1.5
105.07034	27.8
107.08615	9.9
109.06509	3.3
109.10139	5.4
111.08043	1.2
115.05446	2.8
116.06245	7.4
117.07034	3.7
119.04968	6.7
119.08590	19.4
121.06524	3.8
121.10152	8.3
123.08059	3.3
123.11723	1.9
125.09644	3.8
128.06242	3.4
129.07011	14.6
131.08574	44.4
133.06464	2.0
133.10138	7.6
135.08051	1.4
137.09773	1.5
142.07745	2.1
143.08583	8.6
145.10152	9.0
147.08093	1.7
147.11693	13.9
149.09648	6.3
149.25163	1.1
155.08565	1.5
156.09387	2.2
157.10141	6.5
159.08060	100.0
159.11670	3.4
161.09612	4.6
161.13252	5.4
167.08575	1.4
169.10100	3.3
171.11702	13.9
173.09656	1.5
173.13203	2.1
175.07521	2.8
175.11119	1.9
179.10634	1.3
183.11664	5.3
185.13206	2.8
187.11137	2.6
189.12740	7.7
193.10158	2.1
195.11720	1.7
197.13260	4.2
199.11166	5.5
199.14853	2.3
201.09213	1.4
201.12708	2.5
207.12001	1.9
207.13797	6.0
211.11232	2.0
211.14923	1.8
213.12762	1.3
215.10779	2.1
221.13310	1.3
223.14754	2.3
225.12755	4.5
225.16341	1.6
229.12320	1.7
233.13390	1.4
239.14284	2.0
243.13892	2.4
252.15253	1.1
253.19595	3.7
257.19174	1.8
263.17920	3.6
271.16916	2.2
271.20383	1.4
281.17422	12.2
281.19003	16.3
284.07007	1.2
299.09247	2.1
299.20062	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Abieta-8,11,13,15-tetraen-18-oic acid
Peak:m/z	Relative Intensity
50.43938	0.9
53.03946	1.1
55.01872	0.9
55.05516	7.0
56.96560	1.1
57.03442	1.4
57.07075	2.6
64.89115	0.9
65.03954	0.9
67.05505	8.4
69.03433	1.2
69.07067	7.3
71.04968	0.9
71.08639	1.6
71.53194	1.0
79.05492	7.4
81.07063	8.0
83.04993	1.4
83.08641	7.1
85.01005	0.8
85.02895	1.2
91.05487	20.6
93.07040	10.0
95.04983	2.8
95.08616	12.9
97.06548	2.3
97.10181	2.4
105.07042	14.2
107.04990	1.7
107.08600	9.7
109.06502	1.4
109.10188	8.0
110.92841	0.8
111.04436	1.7
111.11743	1.2
115.05455	2.4
116.06245	3.2
117.07038	4.7
119.04961	2.6
119.08585	13.4
121.06541	1.2
121.10153	7.4
123.04478	1.4
123.08077	2.0
123.11726	3.1
125.09640	2.2
128.06235	3.1
129.07030	11.7
131.08582	33.5
133.10159	6.3
135.04416	3.2
135.08054	2.0
135.11696	2.4
141.06993	1.3
142.07799	4.2
143.08586	13.3
145.10143	7.4
147.08060	1.6
147.11691	4.7
148.58612	0.9
149.05997	1.3
149.09604	2.8
155.08604	3.8
156.09346	1.3
157.10152	10.6
159.08072	53.6
159.11681	3.9
161.06007	2.0
161.09642	2.2
161.13327	4.3
165.09120	1.9
167.08537	1.1
169.10143	3.8
171.11694	6.1
173.05980	2.2
173.09668	1.2
173.13321	2.2
175.07539	6.3
175.11153	1.4
175.14832	4.3
179.08568	1.0
182.10944	1.5
183.11731	6.1
185.09721	1.7
185.13283	3.6
187.07530	7.0
187.11209	1.7
187.14767	1.1
189.09128	2.9
189.12715	2.0
195.11800	1.4
197.09766	1.1
197.13260	5.0
198.14932	1.1
199.11154	3.5
201.09105	7.1
201.12709	1.0
203.10635	3.3
207.11668	1.3
211.11169	5.3
211.14838	3.3
213.12793	1.6
215.10701	4.7
221.13263	1.1
222.33810	1.0
223.14847	2.1
225.12770	2.1
225.16338	1.7
227.10701	1.7
227.17975	2.8
229.12244	6.9
239.14278	1.3
243.13863	4.1
253.19508	8.0
256.14633	1.3
257.15417	2.8
263.17984	3.4
271.16956	14.0
271.20035	1.6
281.19016	18.4
299.06009	1.6
299.20084	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2008
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
55.01870	2.1
55.05523	10.2
57.03439	2.1
57.07068	4.9
58.51585	1.3
67.05506	12.3
69.03413	5.9
69.07068	7.8
70.63943	2.6
70.64267	2.0
71.04977	2.9
77.29116	1.5
79.05487	7.9
81.07064	17.3
83.04955	4.3
83.08619	7.8
85.06538	3.4
91.05489	14.9
93.07051	13.4
95.04973	31.2
95.08622	14.8
97.06522	5.0
103.05424	1.6
105.07041	27.0
107.08610	23.1
109.06519	13.3
109.10164	9.5
111.08101	3.1
113.09631	3.0
117.07017	7.9
119.07724	2.1
119.08583	36.5
121.05737	2.0
121.06516	6.8
121.10156	21.6
123.11707	3.9
125.09633	3.9
128.06215	4.1
129.06989	4.1
130.07765	3.3
131.08591	14.3
133.10136	15.0
135.08051	15.3
135.11691	4.4
137.09622	7.0
141.07045	2.0
142.07800	6.6
143.08562	14.9
144.09323	2.8
145.06490	2.8
145.10141	38.5
147.08032	3.0
147.11696	5.5
149.09592	4.5
154.07758	1.9
155.08560	5.3
156.09361	4.4
157.10155	18.4
158.07265	4.4
158.11023	1.7
159.08067	4.0
159.11714	13.1
161.09645	8.8
163.11169	4.3
169.10112	9.2
170.10931	1.6
171.08095	1.4
171.11703	11.9
173.09639	10.2
173.13292	9.3
175.14833	2.1
177.09131	3.8
181.10071	3.8
182.10928	5.3
183.07953	2.3
183.11664	8.4
185.09601	2.9
185.13289	7.4
187.11128	3.2
187.14876	2.8
189.09163	1.9
189.12740	4.5
191.10698	1.6
193.10080	4.2
195.08073	2.1
195.11650	4.3
197.09645	3.9
197.13281	12.4
199.11168	4.9
199.14870	13.8
200.15668	2.2
201.12766	3.3
203.10750	1.7
205.12204	2.3
207.11768	3.1
208.12633	2.1
211.11174	5.0
211.14815	7.5
213.12790	4.4
213.16432	2.5
215.14337	5.2
217.12170	1.6
217.15930	2.4
221.13246	2.5
223.14746	7.2
225.12833	7.7
225.16287	1.7
237.16400	1.7
239.14273	1.7
239.17960	4.1
241.15849	5.4
243.13795	6.7
253.16298	1.3
253.17154	1.7
253.19521	11.6
257.18970	6.7
263.17908	3.0
271.20496	2.4
281.18912	18.0
299.20059	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60410	1.1
62.06094	6.9
69.95138	2.6
69.95535	3.1
94.93027	1.9
98.20822	1.3
136.94028	3.0
141.57095	1.2
185.38779	1.3
225.04756	1.2
300.04831	100.0
300.15839	1.8
305.75977	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02447	1.6
55.01869	1.7
55.05516	8.6
56.05040	1.9
58.06600	1.8
67.05503	12.3
69.03427	6.5
69.07060	7.4
69.95193	7.2
70.06584	6.5
71.04996	2.1
71.59013	1.8
79.05503	8.5
80.05018	4.3
81.03432	11.8
81.07063	13.1
82.06571	3.3
83.04978	4.8
83.08636	8.5
85.06568	2.0
86.09699	5.9
90.05568	11.9
91.05511	12.2
93.07043	11.8
95.04970	11.8
95.08602	8.1
97.06526	2.1
98.06001	2.5
100.11250	5.7
102.84264	1.7
105.07045	17.9
107.04918	3.1
107.08588	10.8
109.06518	7.9
109.10110	3.2
111.04437	10.1
111.08067	3.4
113.05990	3.3
116.07078	2.1
117.06956	3.2
119.08595	21.0
121.06525	9.4
121.10149	7.6
123.08082	10.0
123.11693	3.7
125.09646	3.2
128.10724	3.9
129.06987	5.0
131.08568	8.8
133.10153	5.9
135.08057	21.8
137.06001	2.5
137.09610	5.4
138.12723	2.0
139.07510	2.6
143.08540	3.6
145.10124	8.1
147.08075	8.7
147.11656	6.9
149.09630	5.7
155.08531	2.2
155.10651	2.0
156.13887	3.7
157.10136	6.9
158.07294	4.8
159.08049	7.4
159.11707	8.0
161.09618	9.6
165.09113	4.6
171.08041	2.5
171.11656	4.8
172.08821	4.5
173.09642	4.6
173.13257	5.3
175.07596	16.3
175.11209	8.3
177.05489	2.0
183.11629	3.3
184.13332	4.8
185.09627	1.9
187.11147	10.1
189.09067	4.3
189.12791	4.2
192.13911	2.4
193.08650	4.3
193.10619	1.6
193.12260	12.1
199.11188	6.2
201.12735	7.9
203.10696	9.6
210.14899	28.2
211.11317	3.0
211.13275	23.1
217.12224	10.0
219.13724	2.4
228.15947	15.4
229.12277	7.6
235.13341	2.9
236.16360	2.3
238.14407	3.1
247.13281	37.1
254.13951	5.5
254.17549	7.6
255.17026	4.8
256.15366	8.8
265.14352	100.0
282.17084	2.8
300.14795	3.8
300.18259	7.7
300.26395	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1183
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
53.03934	0.4
55.01852	0.5
55.05503	1.0
56.96561	0.4
57.03428	0.4
58.11512	0.3
65.03938	0.9
67.05495	2.4
69.03415	0.6
69.07054	1.0
69.52418	2.0
71.05011	0.4
72.08136	0.5
79.05489	1.3
80.04990	0.3
81.03413	0.6
81.07051	2.2
82.02932	0.4
82.06577	0.3
83.04963	0.6
83.08599	0.4
86.09702	0.7
91.05483	1.6
92.04995	1.6
93.07036	2.0
94.06559	0.6
95.04959	1.0
95.08614	1.9
97.06527	1.8
98.97599	0.4
102.11903	0.3
105.07036	1.8
107.04987	0.3
107.08572	1.2
109.06489	0.6
109.10130	1.1
110.06068	0.4
111.08076	0.4
115.05424	0.4
117.07037	0.7
119.08597	1.7
120.04475	2.0
121.06488	0.7
121.10110	1.3
122.06070	1.5
123.08047	0.4
123.11697	0.4
128.06177	0.3
129.07002	0.8
131.04912	0.4
131.08546	0.8
133.07480	0.3
133.10130	2.1
135.08087	0.5
135.11662	1.0
136.07590	2.2
137.09592	0.5
139.11142	0.3
141.07010	0.6
142.07753	0.3
143.07343	0.3
143.08531	1.0
144.08067	0.6
145.09050	0.3
145.10155	1.5
146.06041	0.4
147.11678	0.7
148.03891	0.6
149.09631	0.4
151.11119	0.3
153.06892	0.4
154.06592	0.5
154.07722	0.6
155.08527	0.9
156.08115	0.6
157.08916	0.5
157.10146	0.8
158.09608	0.4
158.99586	0.3
159.09174	0.4
159.11699	1.3
160.07545	0.7
161.07161	0.4
162.05486	1.1
163.11227	0.9
165.06929	0.6
167.07300	1.8
167.08588	0.8
168.08165	1.5
169.07561	0.8
169.08879	1.0
169.10144	0.6
170.06053	0.4
170.08379	1.7
170.09691	1.0
171.09201	0.4
171.11719	0.5
172.07555	0.7
172.11182	0.3
173.07091	0.5
173.08386	0.5
173.13184	0.4
174.09206	0.4
175.11220	0.4
175.15022	0.3
181.08914	0.4
182.09663	2.4
183.06760	0.4
183.09189	2.1
184.07614	0.6
184.09818	2.5
184.11426	1.8
185.07104	0.6
185.10692	1.5
185.13280	0.4
186.09201	0.5
187.08745	2.0
191.10693	0.4
191.14299	0.5
194.09680	0.7
196.07588	1.0
197.06876	2.6
197.08453	1.3
197.10762	0.5
197.13332	0.3
198.07710	4.0
198.09239	1.1
199.08597	0.7
199.12361	5.8
199.14317	0.3
199.14934	0.3
200.10753	0.3
209.10623	0.6
210.09146	6.0
211.08604	5.0
212.09235	9.8
212.10992	1.1
213.10201	6.2
213.16434	0.4
217.15924	0.4
222.07845	0.4
223.08664	0.4
225.06638	2.1
225.10233	1.2
226.07272	4.6
226.11000	0.9
227.08133	1.0
227.11786	26.1
229.09827	0.3
237.10258	2.0
238.08690	1.9
239.08170	2.7
240.06853	0.2
240.08905	12.6
241.09731	24.3
253.09738	0.8
254.10533	1.2
255.11281	100.0
256.11710	0.5
257.12888	3.2
266.07980	0.4
273.12250	0.9
283.10770	37.0
283.20615	1.1
286.04828	0.4
301.06558	0.7
301.11810	27.2
301.17761	1.0
301.21463	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	301.1648
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
53.03938	5.6
55.01876	14.8
55.05517	24.1
57.03208	3.1
57.03447	34.5
65.03932	3.3
67.05511	75.9
68.99794	2.5
69.03425	5.0
69.07072	14.6
71.04982	5.7
71.51743	5.1
73.02912	3.5
79.05071	4.1
79.05496	63.8
81.03417	13.9
81.07059	61.0
83.04990	26.6
83.08600	9.9
85.02897	7.7
85.06534	9.4
86.09693	3.4
86.32446	2.1
91.05489	40.4
93.07043	58.0
95.04978	20.2
95.08607	25.1
97.02885	7.1
97.06532	19.3
97.10149	7.1
99.04446	4.0
103.05497	4.5
103.69356	2.3
105.07028	19.1
107.04955	26.6
107.08599	29.9
109.02878	2.8
109.06521	6.8
109.10142	10.3
111.04456	36.2
111.08067	8.5
117.07018	21.4
119.08582	22.0
121.06493	8.1
121.09337	5.0
121.10149	56.2
123.04456	4.1
123.08076	6.5
123.11705	5.9
125.05997	3.1
125.09643	6.2
129.05429	2.3
129.06975	6.5
130.07756	5.3
131.04997	2.6
131.08603	22.9
133.10104	9.5
135.08083	3.1
135.11708	44.7
137.06036	3.4
139.03979	2.9
139.11220	7.2
143.08629	3.1
145.06462	8.4
145.10133	54.1
147.04361	2.4
147.07973	2.9
147.11681	4.1
149.05974	2.9
149.09682	12.2
151.11205	2.5
153.12764	16.7
153.93030	2.5
155.07217	2.3
155.08562	10.9
163.11200	61.0
163.12549	3.7
173.09662	34.6
181.12260	27.0
185.08061	3.2
189.05487	3.2
191.10686	43.7
209.11763	53.5
217.04944	8.0
227.12833	37.4
227.19853	2.7
245.04518	8.9
245.13895	12.0
255.11282	7.4
265.14240	3.8
273.03903	12.1
273.32101	2.4
275.05807	3.5
283.15378	39.3
301.03473	27.7
301.16446	100.0
301.21744	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.0
55.01870	18.5
55.05514	28.2
57.03437	34.7
57.07079	3.2
65.03943	5.0
67.05511	83.4
67.71160	2.3
68.24864	2.7
69.03426	6.1
69.07070	19.5
69.80842	5.3
69.81252	11.1
70.06599	7.5
71.01328	5.3
71.04996	7.1
72.93788	8.1
76.65204	2.4
79.05074	4.2
79.05501	66.7
81.03430	19.9
81.07059	54.0
83.04990	35.0
83.08627	13.0
84.08150	4.6
85.02905	9.7
85.06558	7.6
85.36060	2.5
86.09720	10.2
89.66856	2.6
91.05479	36.3
93.03394	4.7
93.07050	68.8
93.07635	4.0
94.17596	2.5
95.04968	20.7
95.08609	28.1
97.02905	10.4
97.06532	21.4
97.10173	6.7
98.20835	4.1
98.97588	5.4
99.04457	7.2
101.02516	2.6
103.05483	3.5
105.07035	24.9
105.99754	2.9
107.04966	27.7
107.08599	41.0
109.02908	7.1
109.06538	8.3
109.10172	22.3
111.04459	33.1
111.08104	11.4
115.05478	3.0
116.13784	2.5
117.07040	21.0
117.63988	2.5
119.08602	24.1
121.02842	4.0
121.06514	10.2
121.10145	54.6
123.04429	3.8
123.08092	8.5
125.05999	3.7
125.09653	8.1
128.06200	2.6
129.07021	7.1
131.04921	7.0
131.08578	26.0
133.06500	4.6
133.10149	8.3
135.08052	8.5
135.11713	39.6
137.09593	3.5
139.03964	3.0
139.11211	6.6
143.08591	4.8
145.06512	7.3
145.10126	47.9
147.04391	2.8
147.08066	7.6
147.11684	2.9
149.09621	13.6
151.03908	22.3
153.12750	20.2
155.08588	9.3
157.10219	3.2
159.11723	4.8
161.71307	2.6
163.11189	62.0
163.12561	3.9
163.84732	2.4
171.11757	3.1
173.09621	31.5
173.11758	7.9
181.04904	3.7
181.12221	23.1
189.05466	4.4
191.10672	39.0
209.11740	47.5
209.13548	3.4
217.04999	13.2
227.03702	12.0
227.12827	23.7
239.03720	3.4
245.04416	14.2
245.13802	6.6
255.11316	9.6
255.20978	2.7
257.04831	4.3
265.05267	10.8
265.07886	2.5
265.14395	5.9
269.05130	3.5
273.03949	14.2
273.14920	4.0
275.05801	38.0
283.06284	34.1
283.15381	44.7
283.20404	5.7
286.04697	3.7
301.03467	32.8
301.07278	31.0
301.11517	6.2
301.16547	100.0
301.21783	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	301.1647
Annotation	Strobilol C
Peak:m/z	Relative Intensity
53.03936	5.8
55.01875	18.3
55.05279	2.1
55.05515	29.1
57.03440	36.4
57.07067	1.9
57.38098	1.3
58.83709	1.4
61.79068	1.1
65.03931	4.5
67.05509	70.0
69.03416	3.1
69.07072	18.2
70.06586	2.4
71.04985	6.9
71.51986	1.5
73.02936	2.1
75.83895	1.3
79.05499	68.1
81.03430	11.4
81.07061	51.7
83.04494	2.2
83.04984	33.7
83.08625	10.6
83.75922	1.3
85.02916	11.1
85.06538	9.9
86.09715	14.3
87.04450	1.3
91.05488	37.5
93.03417	1.6
93.07053	66.6
95.04972	20.9
95.08060	2.1
95.08615	25.6
97.02882	4.9
97.06527	20.1
97.10191	6.2
99.04456	8.6
99.08059	1.4
101.02364	2.1
101.05955	2.1
103.03944	3.0
103.05436	1.9
105.07037	18.6
107.04963	44.0
107.08598	33.5
109.02847	4.1
109.06529	6.2
109.10165	13.0
111.04452	41.9
111.08080	12.2
113.06035	1.5
115.05484	3.0
117.07031	20.7
119.08591	22.8
121.06524	8.9
121.10152	50.3
123.04419	2.8
123.08064	6.8
125.05981	5.5
125.09615	7.0
127.03914	1.5
127.69218	1.3
129.05496	2.2
129.07013	8.5
129.99222	1.2
130.07771	3.4
131.04913	5.6
131.08574	21.0
132.05760	2.0
133.06503	1.3
133.10109	7.7
135.08083	6.2
135.11693	44.9
137.09576	4.0
139.07516	1.7
139.11230	2.7
143.08549	4.8
143.10718	1.2
145.06490	8.4
145.10127	56.1
147.04420	1.4
147.08026	3.9
147.11655	3.6
149.09648	10.5
153.07007	1.3
153.12737	15.2
155.05989	1.6
155.08534	12.1
157.10159	1.8
159.11752	1.7
161.05966	3.0
161.09570	3.9
163.11191	63.2
165.09111	1.6
166.04984	1.6
167.10706	1.7
169.07410	1.4
171.11708	2.5
173.09628	38.3
179.10698	1.4
181.12230	31.6
183.11586	1.3
185.13277	1.4
187.11252	2.1
189.05479	3.5
189.09164	2.9
191.10692	43.8
195.08194	1.4
199.13210	1.4
205.12100	1.2
209.11732	34.2
217.04987	6.0
217.12213	4.6
227.12790	19.7
245.04417	4.6
255.11378	2.8
255.13751	5.9
255.17404	2.9
265.14334	4.6
273.03961	2.7
273.14908	4.5
283.15182	20.2
283.20209	2.7
301.03351	9.3
301.06906	3.0
301.16461	100.0
301.21796	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	301.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
54.06067	1.2
55.01865	4.1
55.05516	12.3
56.68954	1.2
57.03439	7.1
65.03927	2.2
66.44257	1.2
67.05501	18.8
69.03439	1.5
69.07071	10.8
71.04987	3.6
71.51643	1.9
71.52035	1.6
72.08157	5.4
79.05500	24.9
81.03413	4.7
81.07059	23.6
83.04973	5.4
83.08631	8.1
86.09702	3.0
88.12795	1.4
91.05475	8.2
93.07045	34.4
95.04957	6.0
95.08610	36.2
97.02895	3.4
97.06542	8.1
97.10136	2.0
99.04465	4.3
99.90747	1.8
105.07010	12.5
107.04970	8.2
107.08590	24.5
109.06530	2.5
109.10165	9.1
111.04462	3.5
111.08054	3.0
113.06045	1.6
117.07002	8.8
118.08621	1.6
119.08590	16.9
121.06499	5.6
121.10152	15.4
121.76568	1.5
123.08101	1.4
123.11683	3.1
125.05945	3.4
125.06915	1.4
129.06993	2.0
130.07726	1.9
131.08565	5.6
133.10126	6.6
135.08020	4.0
135.10693	2.7
135.11697	36.6
143.08575	4.4
145.10124	25.2
147.08055	2.3
147.11697	3.3
149.09616	2.5
157.10133	5.3
157.32579	1.7
159.08084	1.9
159.11688	6.6
161.09560	2.7
161.13168	1.6
163.11182	46.4
169.10197	1.5
171.11699	2.1
173.09608	2.7
173.13242	3.2
175.11208	3.1
181.12234	9.7
183.11758	1.8
185.13239	2.4
187.11148	2.2
187.14772	2.4
187.70287	1.3
190.56563	1.9
191.14206	1.5
195.11650	2.1
199.14859	3.0
201.12849	1.6
209.11668	3.4
227.12784	100.0
241.19521	2.6
251.14722	3.3
255.11426	1.6
255.21060	2.6
260.77826	1.9
269.15753	4.2
283.15375	48.3
283.20572	5.7
285.10080	2.9
301.07108	3.5
301.11044	1.6
301.21609	25.5
315.16763	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.01879	3.6
55.05511	9.9
55.25114	0.8
56.96572	0.7
57.03442	5.2
57.07059	1.2
59.04988	1.1
67.05505	15.0
69.03416	1.5
69.06802	0.6
69.07074	6.4
69.89774	2.4
71.04974	2.5
72.08132	1.5
73.02915	1.1
73.31620	0.7
79.05496	19.8
81.03400	3.2
81.06596	1.0
81.07058	18.0
83.04987	4.4
83.08621	7.3
85.06542	0.9
86.09715	2.0
88.99755	0.6
90.35442	0.6
91.05483	8.8
93.07050	32.3
95.04961	4.4
95.08611	34.2
97.02871	3.2
97.06552	5.5
97.10165	1.7
99.04465	4.1
100.93724	0.7
103.05470	1.0
105.07036	8.9
107.04964	7.2
107.07885	1.2
107.08601	22.8
109.02860	0.8
109.06517	2.0
109.10144	5.6
110.45226	0.7
111.04440	2.7
111.08071	2.2
113.06009	0.7
117.07017	8.0
119.08588	11.7
121.06513	5.1
121.10150	12.3
123.08054	1.9
123.11701	1.0
125.05962	2.1
129.07051	1.1
130.07771	2.0
131.04906	0.7
131.08641	3.8
133.10136	4.0
135.08046	2.9
135.11699	38.6
137.09599	1.7
139.07562	1.8
142.07741	1.2
143.08571	2.5
143.61389	0.7
145.06485	1.1
145.10129	25.8
147.08044	1.3
147.11708	1.3
149.09605	0.8
153.12721	1.9
155.08551	1.3
157.10129	1.6
159.11691	2.1
161.09619	1.1
163.11185	43.4
171.11659	0.8
173.09602	2.3
173.13197	1.1
177.12794	0.7
181.12239	9.5
185.13347	1.1
191.10637	1.2
199.14828	0.8
209.11752	2.5
211.14894	0.9
227.12788	100.0
228.13300	1.2
241.09772	0.7
255.11333	1.6
255.13710	1.0
255.21042	1.3
283.10590	1.3
283.15424	43.4
283.20566	2.5
286.04865	1.0
301.07059	1.5
301.14371	1.3
301.17865	1.8
301.21527	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	301.1648
Annotation	Dendronobilin M
Peak:m/z	Relative Intensity
53.03942	8.6
55.01879	12.7
55.05307	2.2
55.05517	23.5
57.03442	35.9
58.06014	2.5
60.69961	2.4
65.03947	4.3
67.05508	59.0
69.03426	4.4
69.07079	18.4
70.76160	4.5
70.76509	2.9
71.04975	4.6
73.02923	3.3
79.05495	65.9
81.03426	13.6
81.07057	51.5
83.04980	19.6
83.08643	11.6
85.02914	6.7
86.09721	22.6
91.05486	42.7
93.07048	70.4
95.04971	35.3
95.08612	47.8
97.02908	7.0
97.06534	17.8
97.10190	6.5
99.04463	6.6
103.05475	2.7
105.07024	20.6
105.96117	2.0
107.04960	50.5
107.08592	43.4
109.02922	3.9
109.06524	9.9
109.10165	9.0
111.04475	10.7
111.08053	4.9
117.07016	28.5
119.08591	21.7
121.06506	12.2
121.10145	43.0
123.04448	2.5
123.08124	3.3
125.05998	6.3
125.09653	2.4
129.07016	7.4
130.07738	4.4
131.04942	7.4
131.08580	16.4
132.05721	2.1
132.10197	4.0
133.06497	2.3
133.10123	7.3
135.08067	7.8
135.11699	67.2
137.05965	3.5
139.11183	3.7
140.35484	2.5
143.08556	3.7
144.05696	2.4
145.06471	11.4
145.10126	68.7
147.08110	3.9
149.09653	5.0
155.08588	17.4
159.11761	2.3
163.11186	100.0
173.09633	44.0
181.12251	23.9
191.10667	29.8
209.11684	23.7
217.04945	4.1
227.12791	92.5
235.66423	2.3
240.37094	2.5
255.11256	2.8
255.13733	2.6
265.14389	7.1
283.15384	31.8
283.20428	3.6
301.03503	5.1
301.06891	2.8
301.16528	98.7
301.21420	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	301.2163
Annotation	6,7-Dehydrosandaracopimaric acid
Peak:m/z	Relative Intensity
51.65942	0.5
55.05516	3.9
57.07081	0.8
63.96427	0.6
67.05515	6.0
67.90101	0.6
69.07071	8.7
69.68710	0.6
70.03402	1.5
70.03791	1.6
79.05487	3.7
81.07050	9.0
83.05000	1.0
83.08608	1.9
91.05481	6.5
93.03425	0.7
93.07056	7.5
95.04953	0.8
95.08624	10.4
97.10160	4.1
105.07036	6.9
106.23270	0.6
107.08601	8.3
109.10168	6.9
111.04461	2.9
111.11714	0.9
115.48306	0.6
117.07021	6.9
119.08585	4.4
121.06467	0.7
121.10159	6.0
123.11707	2.8
129.07013	1.7
131.04932	0.8
131.08583	9.3
133.06523	0.8
133.10130	4.3
135.04401	2.1
135.08061	2.2
135.11708	3.7
137.05974	1.6
137.13220	1.2
143.08586	3.6
145.06487	1.0
145.10130	8.1
147.11714	2.5
149.05997	2.9
149.13242	3.2
151.07552	0.8
157.10167	3.1
159.11703	5.5
161.05998	1.9
161.09702	0.7
161.13264	1.9
163.07539	1.5
163.14830	5.0
171.08005	0.8
171.11717	3.2
173.09634	0.9
173.13263	3.7
175.07555	2.9
175.14847	0.9
177.09193	1.0
177.16388	6.8
179.10573	0.7
181.10313	0.7
185.13293	3.4
187.11180	2.0
187.14847	2.1
189.09100	1.8
189.16307	0.8
191.10623	1.3
195.11722	0.9
199.11139	1.3
199.14838	2.6
201.12643	1.0
201.16260	0.6
203.10600	3.1
205.12245	4.1
213.12773	2.1
213.16318	1.1
217.12242	3.2
219.13818	2.5
227.14406	1.4
229.19495	1.2
231.13843	2.7
245.15419	2.7
246.62444	0.7
255.21092	8.6
258.16113	0.9
265.19394	1.5
273.18570	1.4
283.20587	5.7
301.21637	100.0
302.22095	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	11-cis-Retinoic acid
Peak:m/z	Relative Intensity
52.01887	2.1
55.05495	8.9
57.07076	10.1
60.04541	2.3
63.45407	1.7
67.05506	11.7
68.95118	2.2
69.03423	4.0
69.07058	6.6
70.06606	14.3
70.23783	4.2
70.24152	3.4
71.04971	5.3
71.08617	4.3
79.05518	10.4
81.07062	19.1
83.04953	3.0
83.08626	2.3
88.07648	14.1
91.05479	17.7
93.07042	23.6
95.04990	10.5
95.08611	18.6
97.06518	4.3
97.68711	2.4
102.09167	4.8
103.05444	3.1
105.07049	34.7
106.08662	9.8
107.08605	28.8
109.06522	26.4
109.10169	22.5
111.08083	3.6
115.05462	2.5
117.07045	11.4
119.07814	3.1
119.08584	39.8
120.09248	2.1
121.06495	6.5
121.10159	18.7
123.08054	3.4
123.11710	2.1
128.06201	2.3
129.07002	5.0
130.07748	2.9
131.08577	35.5
132.31599	2.2
133.10123	27.4
135.08063	20.5
135.11665	5.8
137.09590	2.7
142.07787	3.6
143.08577	15.7
144.09322	5.3
145.10132	36.9
146.07283	3.8
147.08051	3.3
147.11719	9.5
149.09552	2.8
149.13234	5.9
155.08595	2.4
156.09349	2.1
157.10138	14.2
158.10939	12.9
159.07999	4.7
159.11710	10.4
161.09624	47.9
163.11209	3.9
166.76793	1.8
170.11021	2.4
171.11682	5.7
173.11766	3.8
173.13275	72.0
175.14813	6.9
183.11690	4.9
185.13290	5.5
187.14799	3.6
191.14299	18.4
193.10149	3.8
193.16217	2.1
194.10905	2.5
195.11778	3.4
199.14862	5.3
201.12578	2.6
209.13261	6.6
213.16335	2.8
217.15886	1.9
223.14812	5.4
227.14342	5.4
265.19479	7.7
269.12695	3.5
283.20621	9.9
284.29474	4.0
301.21555	14.3
302.30551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	Angustanoic acid A
Peak:m/z	Relative Intensity
51.44541	0.9
52.39484	1.1
53.03940	1.3
55.05525	5.3
57.07086	5.6
67.05505	6.3
69.07072	6.5
70.06580	3.9
70.92353	2.1
71.04983	1.7
71.08636	1.8
79.05480	7.2
81.07053	9.8
83.04978	1.5
83.08619	2.5
88.07642	5.7
91.05483	11.9
93.07059	9.6
95.04961	3.2
95.08620	8.9
97.06521	2.2
97.10193	1.3
102.09167	1.1
105.07037	13.8
106.08648	3.1
107.08596	11.9
109.06532	7.6
109.10188	8.1
111.08032	1.3
117.07027	14.7
119.08573	15.9
121.06499	2.3
121.10149	8.6
123.08064	1.7
123.11679	2.4
128.06194	2.0
129.07030	3.5
130.07716	1.1
131.08577	22.5
133.10155	9.0
135.04372	1.5
135.08058	6.9
135.11681	3.9
137.09624	1.5
137.13225	2.8
141.06871	1.2
142.07779	1.2
143.08542	6.7
144.09338	1.9
145.10141	19.7
147.08005	1.3
147.11668	4.5
148.25722	1.1
149.05971	2.0
149.13249	2.3
156.09291	1.3
157.06644	1.4
157.10095	3.8
158.10878	3.1
159.08093	1.2
159.11700	6.9
161.05946	2.0
161.09633	16.3
163.11227	1.1
171.11681	5.1
173.13274	26.3
175.07489	5.0
175.11261	1.2
175.14815	3.7
185.13274	4.9
187.14877	1.7
189.09116	5.9
191.10683	2.0
191.14333	8.4
197.13275	1.7
199.11264	3.4
199.14809	5.1
201.16423	1.3
203.10670	5.9
205.12212	2.2
209.13232	2.9
213.12657	1.9
213.16380	1.9
217.12254	7.2
223.14876	1.2
227.14345	2.5
231.13806	3.3
245.15285	3.0
255.21082	3.1
258.16077	1.2
265.19620	1.8
273.18481	3.3
283.20569	6.2
283.28351	1.4
284.29416	2.2
301.07071	1.3
301.21616	100.0
302.30542	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.7
55.01865	2.9
55.05507	3.7
57.03431	4.8
61.02936	6.1
61.81138	1.1
65.03959	1.7
67.05510	9.3
69.03432	12.1
69.07073	1.7
69.84167	5.3
70.02945	1.3
70.06593	2.3
71.01337	1.2
71.04984	1.3
72.08157	29.9
73.02926	2.9
79.05490	6.0
81.03423	12.1
81.07061	7.5
82.06617	1.2
83.04974	1.3
83.08637	1.4
84.04469	1.4
85.02909	84.4
86.09712	20.6
91.05453	1.6
93.05850	1.2
94.06560	1.9
95.04970	4.8
95.08601	1.4
97.02895	42.7
97.06519	2.1
99.04459	1.3
103.03966	6.6
105.07037	1.8
107.08604	1.5
108.08123	13.0
109.02872	11.5
109.06518	2.4
110.06042	1.8
112.07592	1.1
119.08578	1.4
122.06030	8.5
122.09706	1.5
123.97355	1.3
125.06033	5.8
126.05513	6.1
126.09148	3.8
127.03924	19.1
130.06516	1.6
136.07573	19.5
140.05975	2.2
140.07072	45.6
143.11804	17.9
145.04967	12.5
149.09612	1.1
150.09123	3.6
152.07057	19.7
154.08678	7.8
157.13388	9.4
163.06029	4.1
164.07072	25.4
164.12651	1.2
166.12286	1.4
171.11302	11.1
174.96904	1.7
178.08623	21.2
182.08133	100.0
182.15422	2.2
185.12837	5.4
193.12256	5.7
203.14073	1.2
206.08139	41.7
210.14948	5.1
218.08086	4.7
223.80127	1.1
226.60988	1.2
231.16957	1.1
236.09093	5.3
248.09184	9.1
258.17084	1.5
266.17416	1.6
267.15918	3.6
274.65320	1.1
284.18649	2.3
285.17087	3.7
302.19617	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
55.01885	1.5
55.05502	1.5
57.03430	5.8
61.02918	6.6
64.98022	1.5
67.05512	6.6
69.03429	12.1
69.07076	2.0
70.06584	1.6
70.95920	2.2
70.96272	2.5
72.08145	5.7
73.02905	3.4
79.05491	4.3
81.03411	11.0
81.07049	7.2
85.02910	82.4
86.09694	4.0
91.14375	1.2
93.05811	1.6
94.06587	1.8
95.04967	4.6
97.02890	40.7
97.06516	1.5
98.08990	1.2
98.09647	1.4
99.04438	1.6
103.03962	7.0
108.08114	9.3
109.02888	12.8
109.06506	2.6
110.06085	1.9
112.07667	1.4
122.05995	6.0
125.05996	6.2
126.05524	7.0
126.09154	3.7
127.03919	17.4
136.07596	16.6
140.07074	44.0
143.11810	2.9
145.04961	14.1
150.09137	4.2
152.07068	15.3
154.08623	8.2
163.06026	2.5
164.07079	20.1
174.91042	1.3
178.08658	15.2
182.08131	100.0
193.05885	1.3
193.12291	3.0
206.08134	36.3
210.14894	2.8
218.08118	4.2
232.47554	1.3
236.09190	4.4
248.09186	10.5
266.10196	1.6
267.15823	1.8
285.16843	1.9
302.19611	4.3
313.96643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01862	0.8
56.05029	0.7
57.03436	2.5
61.02914	2.5
65.03932	1.4
67.05510	28.3
69.03088	1.0
69.03436	14.2
69.07076	14.5
70.02969	0.6
70.06578	0.8
70.35427	0.8
70.35779	2.0
71.04980	0.9
72.08165	0.7
73.02905	1.5
81.03409	5.5
84.04517	1.4
84.08148	1.5
85.02913	35.6
86.06026	0.7
86.09717	3.9
88.29676	0.7
93.05859	0.6
94.06541	1.1
95.04973	46.0
95.60471	0.6
97.02897	29.1
97.06538	0.9
99.04443	2.0
99.65710	0.6
103.03944	2.9
108.08173	0.7
109.02883	7.1
112.07617	32.1
113.06005	3.5
122.06033	1.5
123.04446	1.2
124.07586	1.9
127.03922	6.4
130.08636	0.6
136.07590	2.5
140.07076	100.0
145.04967	4.1
147.07672	1.2
150.09186	1.1
152.07086	1.1
154.08624	6.1
164.07097	0.7
170.08202	0.7
178.08620	3.2
178.83452	0.6
182.08145	55.6
206.08124	11.6
206.09906	1.1
218.08134	2.3
226.24391	0.6
236.09265	2.3
248.09204	7.7
251.22008	0.7
284.11221	1.7
302.12320	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Gly Leu Leu
Peak:m/z	Relative Intensity
55.01868	0.5
55.05513	1.1
60.08108	0.4
62.18940	0.6
67.05502	2.0
69.07067	7.1
70.06601	1.1
70.07427	0.5
71.04998	0.5
71.51304	0.6
75.05607	13.9
79.05507	1.5
81.03414	1.2
81.07059	1.5
82.24950	0.5
83.04976	0.6
84.08133	0.4
85.02910	0.8
85.22002	0.4
86.09711	100.0
91.05493	1.2
92.64306	0.6
93.07059	1.2
94.07389	0.6
95.08604	0.8
96.08121	0.5
97.02795	0.6
97.06549	0.5
105.07031	0.7
107.08627	0.7
116.07057	0.6
119.08573	1.0
120.08906	0.6
120.61020	0.5
121.10188	0.6
122.10452	0.7
124.99976	0.5
132.10211	12.5
132.95840	1.1
136.06209	1.8
143.11806	76.9
164.11508	0.6
171.11288	23.0
174.96754	0.7
182.08260	0.7
182.12575	0.5
184.07367	1.7
189.12341	2.2
193.12271	0.8
209.11801	0.5
210.12080	1.6
211.13278	0.7
228.13022	0.5
256.09793	0.6
284.15634	1.4
302.07202	0.6
302.10300	1.0
302.16855	1.4
302.20044	1.4
303.04935	1.9
305.72903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
55.05513	1.1
60.08108	0.4
62.18940	0.6
67.05502	2.0
69.07067	7.1
70.06601	1.1
70.07427	0.5
71.04998	0.5
71.51304	0.6
75.05607	13.9
79.05507	1.5
81.03414	1.2
81.07059	1.5
82.24950	0.5
83.04976	0.6
84.08133	0.4
85.02910	0.8
85.22002	0.4
86.09711	100.0
91.05493	1.2
92.64306	0.6
93.07059	1.2
94.07389	0.6
95.08604	0.8
96.08121	0.5
97.02795	0.6
97.06549	0.5
105.07031	0.7
107.08627	0.7
116.07057	0.6
119.08573	1.0
120.08906	0.6
120.61020	0.5
121.10188	0.6
122.10452	0.7
124.99976	0.5
132.10211	12.5
132.95840	1.1
136.06209	1.8
143.11806	76.9
164.11508	0.6
171.11288	23.0
174.96754	0.7
182.08260	0.7
182.12575	0.5
184.07367	1.7
189.12341	2.2
193.12271	0.8
209.11801	0.5
210.12080	1.6
211.13278	0.7
228.13022	0.5
256.09793	0.6
284.15634	1.4
302.07202	0.6
302.10300	1.0
302.16855	1.4
302.20044	1.4
303.04935	1.9
305.72903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03428	1.0
57.05827	0.7
57.07069	0.5
60.08163	0.6
60.44743	0.5
61.91632	0.5
67.05503	2.2
68.05832	0.8
69.07071	6.1
69.52625	0.5
69.53930	3.6
70.06596	1.8
71.04977	0.7
72.08137	0.6
75.05604	13.0
79.05480	1.3
80.05839	1.0
81.03412	1.6
81.07057	2.3
83.04980	0.5
83.08621	0.6
84.08138	0.8
85.02892	0.8
86.09708	100.0
91.05526	1.3
93.07056	1.2
94.07372	0.9
95.04978	0.9
95.08569	0.6
97.06521	0.7
98.06069	1.0
104.10747	0.9
105.07047	1.1
107.04939	0.7
107.08610	0.6
109.06493	0.7
109.10148	0.9
116.07104	1.0
117.07018	0.5
121.10143	1.1
122.10526	0.5
124.99984	0.9
132.10197	11.8
133.10136	0.6
136.06184	4.7
143.11803	79.2
145.10185	0.6
151.11298	0.6
157.08495	0.7
157.10181	0.6
158.08124	0.5
158.09665	0.7
159.10042	0.8
169.08475	0.7
171.11293	25.1
174.96947	0.7
184.07280	3.1
189.12369	2.4
193.12265	0.7
210.12029	1.0
211.13263	0.9
220.13403	0.8
228.13376	0.5
258.17010	1.3
266.17563	0.6
284.15585	1.6
302.13730	0.7
302.16751	1.6
302.20044	2.4
303.04947	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65561	0.1
56.54493	0.1
59.89021	0.1
71.50135	0.1
82.99431	0.2
82.99876	0.4
98.97586	0.2
101.00887	2.3
119.01923	4.7
134.99901	0.4
137.02954	0.4
140.98843	0.5
158.99893	1.7
159.87518	0.2
165.99664	0.3
175.03038	0.3
176.06416	0.2
177.00961	10.1
178.01062	0.8
179.00720	0.2
181.06873	0.2
182.99907	0.6
195.02049	0.2
199.02954	0.2
200.02518	0.2
201.00934	2.7
214.47188	0.1
217.04111	2.5
218.03929	0.3
219.02013	18.6
220.02155	1.5
221.01804	0.9
225.00838	2.9
225.02817	0.2
236.99680	0.1
243.01994	12.2
244.02200	0.9
256.96512	0.2
261.03064	100.0
262.03195	7.5
263.03265	0.7
266.03516	0.2
266.98682	0.2
269.04785	0.1
277.00735	0.2
279.00705	0.4
279.98309	0.2
282.99976	0.4
284.04636	2.3
284.99829	2.6
285.04733	0.6
301.01129	0.6
302.97379	0.1
303.00848	3.0
303.04626	2.7
303.20032	0.4
304.05014	0.2
310.25034	0.2
321.22757	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01870	0.4
55.05510	0.2
56.05041	0.2
57.03437	0.1
58.77735	0.1
65.03939	0.5
67.01857	0.1
67.05495	0.6
68.99443	0.1
68.99788	2.0
69.03419	0.3
69.07057	0.4
70.06565	0.2
71.51707	0.1
72.08127	0.1
73.02919	0.1
74.06044	0.2
79.05490	0.7
81.02988	0.2
81.03416	2.1
81.07087	0.8
83.04967	0.3
83.08601	0.4
84.04491	0.1
85.02888	0.2
86.09689	0.9
91.05479	1.0
93.03412	0.5
93.07035	0.7
95.04966	1.2
95.08591	0.4
97.02890	0.2
97.06519	0.1
98.97588	0.4
103.05460	0.2
104.10709	0.2
105.03386	0.3
105.07011	0.5
107.04942	0.4
107.08573	0.2
109.02895	1.2
109.06522	0.1
110.03642	0.1
111.00814	1.6
111.07996	0.1
115.05456	0.3
116.07075	0.3
116.98581	0.3
117.03355	0.1
117.06994	0.4
119.04935	0.1
119.08567	0.4
120.06538	0.2
121.02861	2.1
121.10126	0.3
123.04430	0.6
123.08063	0.2
127.03888	0.4
128.06198	0.5
129.07005	0.6
131.04944	0.4
131.08562	0.3
133.10110	0.1
135.04396	0.3
136.06174	0.4
136.93271	0.1
137.02351	6.4
137.03426	0.6
137.05856	0.1
141.06943	0.2
143.08557	0.6
143.11873	0.1
144.06548	0.6
144.12183	0.1
145.02827	0.2
145.06490	0.6
147.11639	0.2
149.02321	0.7
149.09633	0.1
151.03908	0.2
153.01828	8.3
153.06952	0.3
155.04903	0.7
155.06029	0.2
157.06532	0.2
157.10144	0.3
158.99547	0.2
159.04393	0.3
161.05966	0.7
163.03886	1.0
165.01843	3.5
166.02625	0.5
169.06433	0.2
171.04373	0.1
171.08052	0.5
173.05977	1.2
175.11198	0.1
177.05469	0.3
179.03387	0.3
181.06493	0.5
183.02882	1.5
183.04457	0.7
184.07414	0.3
185.05991	0.2
186.11316	0.3
187.03915	0.8
191.03450	0.4
191.07060	0.1
193.12245	1.0
195.02858	0.5
197.05893	0.2
198.57297	0.1
199.07506	0.8
201.05463	3.8
203.03384	0.1
205.04973	0.4
207.02856	0.1
211.03929	0.3
213.05515	0.2
215.03406	0.2
219.02901	0.1
219.06642	0.5
228.04124	0.7
229.04956	8.3
239.03326	0.4
247.06013	1.0
257.04437	4.8
259.17386	0.3
267.15927	0.7
274.04755	1.2
275.05475	0.3
285.03955	2.1
285.07272	0.1
285.08710	0.2
285.16867	0.2
285.22116	0.1
286.04587	0.1
303.04980	100.0
304.05240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.2
55.01863	0.5
55.05511	0.2
56.05025	0.1
56.37916	0.1
57.03422	0.3
65.03922	0.4
67.01851	0.3
67.05512	0.8
67.23751	0.1
68.99794	1.7
69.03413	0.5
69.07071	0.3
71.01361	0.1
71.04965	0.2
71.05583	0.4
74.06094	0.2
79.05505	0.6
79.58915	0.1
81.03423	3.1
81.07037	0.5
83.04999	0.2
83.08619	0.6
85.02928	0.2
86.09694	0.5
87.10029	0.2
91.05470	0.7
93.03407	0.6
93.07046	0.6
95.04971	1.3
95.08582	0.3
97.02859	0.2
97.10183	0.1
105.03375	0.2
105.07014	0.7
107.04958	0.3
107.08575	0.3
109.02885	0.9
109.06470	0.2
109.10155	0.1
111.00808	1.8
111.08078	0.4
117.07021	0.5
119.08562	0.4
120.06576	0.2
120.08131	0.2
121.02874	2.0
121.10138	0.5
123.04474	0.7
127.03919	0.4
129.07008	0.5
131.04900	0.2
131.08586	0.4
133.02867	0.2
133.06496	0.2
133.10136	0.3
135.04416	0.5
135.11725	0.1
137.02354	6.8
137.03410	0.5
143.08611	0.1
143.11890	0.1
144.12173	0.2
145.02852	0.2
145.06512	0.5
145.10150	0.3
147.11676	0.3
149.02356	0.7
149.09644	0.2
153.01839	8.8
155.04936	0.6
155.06036	0.2
157.06464	0.2
157.10153	0.3
159.04408	0.3
161.06020	0.8
163.03917	1.0
165.01845	3.6
166.02602	0.5
173.02373	0.2
173.05995	1.3
175.11211	0.3
177.01820	0.2
177.05569	0.4
179.03421	0.4
180.06961	0.1
183.02892	1.4
183.04446	0.8
185.05962	0.2
187.03886	0.9
191.03403	0.2
191.07129	0.2
193.12265	2.4
195.02898	0.4
200.04681	0.2
201.05467	3.4
205.05005	0.3
205.47806	0.1
207.02847	0.3
208.85057	0.1
211.03809	0.2
211.13278	0.2
213.05473	0.3
215.03311	0.2
217.12198	0.1
219.02901	0.2
219.06476	0.6
228.04173	0.6
229.04982	9.3
239.03343	0.4
247.05995	1.4
256.10712	0.3
257.04471	4.5
267.15897	1.4
274.04807	1.3
275.05414	0.4
285.03952	2.3
285.16998	0.5
285.22079	0.2
286.12054	0.3
303.04996	100.0
304.05112	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19416	0.1
53.03944	0.1
53.99614	0.1
55.01872	0.3
65.03941	0.5
65.90659	0.1
67.01862	0.3
67.05497	0.4
68.99786	2.0
69.03415	0.2
69.33396	0.4
71.01331	0.1
79.05479	0.2
81.03416	0.9
81.07043	0.2
81.18816	0.1
83.01342	0.1
83.04966	0.1
91.05466	0.2
93.03415	0.8
93.07062	0.1
95.04963	0.8
95.08581	0.2
97.02885	0.2
97.06443	0.1
98.97577	0.2
103.05458	0.1
105.03414	0.1
105.07019	0.2
107.01286	0.1
107.04954	0.2
107.08564	0.1
108.89414	0.1
109.02884	0.9
109.10126	0.1
110.03660	0.2
111.00794	1.9
111.04401	0.1
115.05453	0.2
116.98593	0.1
117.07001	0.3
119.08567	0.1
121.01996	0.1
121.02859	2.0
121.10149	0.1
123.04427	0.6
126.03171	0.1
127.03897	0.4
128.06284	0.1
129.06950	0.1
131.00020	0.1
131.04913	0.4
133.02814	0.1
133.06468	0.1
133.10234	0.1
135.04417	0.6
136.01530	0.1
137.02339	7.0
141.05429	0.1
143.00177	0.1
143.04869	0.1
145.02846	0.2
145.06487	0.6
145.10114	0.1
147.04401	0.1
147.11710	0.1
149.02328	0.7
149.06000	0.1
151.03914	0.1
153.01822	9.7
154.02185	0.1
155.04912	0.9
155.06046	0.1
157.01662	0.1
157.06508	0.1
159.04417	0.2
161.05998	0.6
161.13251	0.1
163.03912	1.3
163.07561	0.1
165.01836	3.8
166.02602	0.6
167.03406	0.1
171.02902	0.1
171.04514	0.1
173.02391	0.1
173.05977	1.3
175.03973	0.1
177.01781	0.2
177.05423	0.2
179.03334	0.4
183.02887	1.5
183.04427	0.8
185.05989	0.1
187.03908	0.9
189.00653	0.1
189.05524	0.1
191.03397	0.3
191.07030	0.2
193.12198	0.3
194.02200	0.1
195.02872	0.4
200.04626	0.1
201.05463	4.2
202.05865	0.1
203.03378	0.1
205.04953	0.3
207.02881	0.2
211.03841	0.3
213.05443	0.3
215.03311	0.2
217.05196	0.1
219.02884	0.2
219.06531	0.6
228.04178	0.6
229.04955	9.4
230.05380	0.1
232.03673	0.1
233.04471	0.1
239.03653	0.3
245.04381	0.2
246.05365	0.2
247.06021	1.4
256.03741	0.1
257.04446	4.9
258.05212	0.1
267.02847	0.1
267.15948	0.1
274.04736	1.3
275.05460	0.2
277.05701	0.1
285.03909	2.3
285.22250	0.1
286.04703	0.2
302.04294	0.1
303.04971	100.0
304.05316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01859	0.4
63.77877	0.1
65.03622	0.1
65.03933	0.5
67.01862	0.2
67.05494	0.3
68.99454	0.1
68.99791	1.8
69.03430	0.2
70.10324	0.4
79.05495	0.1
81.03405	0.5
81.07047	0.1
90.59293	0.1
91.05471	0.2
93.03411	0.6
95.04977	0.8
95.08602	0.2
98.20803	0.1
98.97581	0.3
105.03400	0.2
105.07033	0.2
107.04934	0.3
109.02880	0.8
111.00809	1.7
115.05448	0.2
117.07011	0.4
119.08640	0.1
121.02869	1.8
123.04436	0.6
127.03891	0.3
128.06223	0.1
131.04897	0.4
135.04411	0.5
137.02348	6.8
145.02834	0.1
145.06503	0.7
147.04367	0.1
149.02347	0.7
153.01833	9.2
155.04916	0.8
155.06026	0.2
157.06445	0.1
159.04413	0.2
161.06015	0.5
163.03931	1.2
165.01846	4.0
166.02609	0.4
172.04832	0.1
173.02385	0.1
173.05994	1.1
177.01875	0.2
177.05432	0.2
179.03349	0.4
183.02881	1.4
183.04440	0.8
184.05223	0.1
185.06000	0.2
187.03857	0.9
191.03410	0.4
191.07059	0.1
195.02925	0.5
200.04639	0.1
201.05472	3.8
203.03369	0.1
205.04944	0.5
207.02899	0.3
211.03908	0.3
213.05679	0.2
215.03349	0.2
219.02966	0.2
219.06544	0.6
228.04176	0.6
229.04968	8.8
231.03040	0.1
232.03519	0.1
233.04483	0.2
239.03427	0.4
240.57045	0.1
245.04510	0.2
247.06021	1.4
256.03452	0.1
257.04453	4.8
274.04736	1.3
275.05368	0.5
285.03937	2.4
286.04492	0.1
303.04984	100.0
304.05289	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03945	0.2
55.01876	0.4
55.05504	0.2
57.07077	0.1
65.03945	0.5
65.73719	0.1
67.01865	0.3
67.05502	0.5
68.99791	1.9
69.03421	0.2
69.07070	0.2
71.01327	0.1
71.04992	0.1
71.52139	0.1
75.62894	0.1
78.40154	0.1
79.05492	0.3
79.99622	0.1
81.03421	0.7
81.07055	0.5
83.01333	0.1
83.04980	0.1
83.08652	0.1
85.02893	0.1
85.06522	0.1
86.09711	0.2
91.05482	0.3
93.03412	0.7
93.07054	0.4
94.06570	0.1
95.01340	0.1
95.04979	0.7
95.08623	0.7
97.02887	0.1
97.06543	0.1
103.05458	0.1
105.03381	0.3
105.07047	0.5
107.01317	0.1
107.04966	0.2
107.08607	0.3
109.02885	1.2
109.06487	0.1
109.10160	0.2
110.03671	0.1
111.00809	1.9
111.04477	0.2
115.05467	0.2
117.06998	0.4
119.04964	0.1
119.08570	0.4
121.02872	2.1
121.10124	0.3
122.05956	0.1
123.04432	0.8
123.08031	0.1
123.11761	0.1
125.09597	0.1
126.03052	0.1
127.03923	0.4
128.06215	0.1
128.52391	0.1
129.07010	0.2
131.04912	0.4
131.08586	0.2
133.02841	0.1
133.06522	0.1
133.10124	0.2
135.04420	0.5
135.08116	0.1
135.11690	0.2
137.02350	7.4
137.03401	0.5
137.05905	0.1
139.03914	0.1
141.09076	0.1
143.04935	0.1
143.08545	0.1
145.02849	0.2
145.05373	0.1
145.06476	0.7
145.10161	0.3
147.11717	0.2
149.02365	0.9
149.05994	0.1
151.03940	0.1
153.01834	9.6
155.04897	0.8
155.06079	0.2
155.08536	0.2
157.06493	0.2
157.10098	0.2
159.04411	0.3
159.11703	0.2
160.05133	0.1
161.02351	0.1
161.05974	0.5
161.13240	0.2
163.03928	1.3
163.11179	0.1
163.14780	0.1
165.01845	4.0
166.02634	0.6
167.03282	0.1
171.02885	0.1
171.04329	0.1
171.11723	0.1
173.02388	0.1
173.05998	1.4
173.13232	0.1
177.01871	0.2
177.05507	0.3
178.05017	0.1
179.03352	0.4
183.02888	1.6
183.04436	0.9
183.11739	0.1
185.05991	0.1
187.03923	1.0
191.03432	0.4
191.07014	0.2
191.10616	0.1
193.05052	0.1
195.02917	0.5
197.13205	0.1
199.14787	0.1
200.04701	0.1
201.05478	4.3
205.01195	0.1
205.04967	0.4
207.02913	0.3
211.03882	0.3
211.14809	0.1
213.05507	0.2
215.03412	0.2
216.54425	0.1
219.02951	0.2
219.06569	0.4
227.17938	0.1
228.04225	0.6
229.04968	9.0
230.05347	0.1
231.02794	0.1
232.03648	0.1
233.04366	0.2
239.03600	0.3
239.17822	0.1
242.11934	0.1
243.02954	0.1
243.11110	0.1
245.04617	0.1
246.05255	0.1
247.06030	1.3
257.04456	5.2
257.19226	0.1
257.22638	0.1
258.05023	0.1
261.04022	0.1
267.02789	0.1
267.21115	0.2
274.04739	1.4
275.05478	0.3
285.03952	2.4
285.12222	0.4
285.15219	0.1
285.19012	0.1
285.22171	0.4
286.04697	0.1
302.04202	0.1
303.04996	100.0
303.22580	0.6
304.05344	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03939	0.2
54.51594	0.2
55.01878	0.3
55.05501	0.2
57.03426	0.3
59.32249	0.2
65.03935	0.6
67.01523	0.2
67.01869	0.2
67.05501	0.8
68.99789	1.9
69.03404	0.5
69.04118	0.2
69.07073	1.5
69.93914	0.2
70.06597	4.4
71.05003	0.2
71.08532	0.4
71.10882	0.2
72.08158	0.4
74.02429	0.5
79.05482	0.4
81.03440	0.9
81.07071	0.3
83.04936	0.2
83.08624	0.2
84.08070	0.2
85.02881	0.2
86.09711	4.1
87.10033	1.4
91.05462	0.5
93.03392	0.7
93.07050	0.3
95.01337	0.2
95.04983	1.0
95.08601	0.5
97.02886	0.2
97.06533	0.3
98.97584	0.3
105.03418	0.3
105.07026	0.5
107.04935	0.3
107.08592	0.3
109.02903	1.0
109.10168	0.2
110.03611	0.2
111.00823	1.9
111.04444	0.2
115.05469	0.2
116.07101	8.2
117.07020	0.6
119.08589	0.4
121.02867	2.3
121.06541	0.2
121.10152	0.4
123.04419	0.6
123.08086	0.3
127.03921	0.6
129.07054	0.2
129.09111	0.2
131.04930	0.5
131.08539	0.3
132.10236	0.3
133.06506	0.3
133.10156	0.2
135.04388	0.4
135.08080	0.2
136.06180	0.3
136.07582	0.2
137.02356	6.8
137.03418	0.4
142.08656	0.4
143.04939	0.3
143.11801	0.3
144.10225	0.2
144.13837	0.2
145.02748	0.2
145.06523	0.7
145.10080	0.2
149.02368	0.9
149.49854	0.2
151.03891	0.2
153.01839	10.3
155.05002	0.9
157.10159	0.3
159.04405	0.2
160.09695	0.5
161.05957	0.5
163.03905	1.1
165.01860	3.9
166.02625	0.5
171.11554	0.2
172.11671	0.2
173.06010	1.2
177.01801	0.2
179.03360	0.6
183.02908	1.4
183.04442	0.9
184.07375	0.2
185.05998	0.2
187.03911	1.0
189.12546	0.2
191.03447	0.4
195.02959	0.4
201.05486	3.9
205.05011	0.4
207.02948	0.3
211.03925	0.2
213.05449	0.3
215.03450	0.3
216.62309	0.2
219.02988	0.2
219.06528	0.5
228.04210	0.6
229.04971	9.4
234.99033	0.2
237.19054	0.2
239.03441	0.4
247.06058	1.2
257.04449	5.1
274.04782	1.4
275.05493	0.3
281.06946	0.2
285.03979	1.9
285.14575	0.4
285.22141	0.2
303.05005	100.0
303.16602	1.9
304.05188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54095	8.1
59.38308	7.6
63.38369	7.3
70.06597	14.7
71.50900	11.5
72.08167	9.3
80.45105	7.3
86.09757	8.4
125.90192	8.1
232.46159	12.5
283.43878	8.6
298.88568	7.8
303.07962	100.0
303.13416	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	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.5
55.05511	2.0
56.09003	0.3
56.96559	0.8
57.07073	0.4
65.03945	3.3
67.05514	2.6
69.03425	0.4
69.07071	3.2
71.04980	0.5
79.05485	2.5
81.07063	4.4
83.04982	1.4
83.08614	0.9
85.06530	0.7
91.05482	2.4
92.05007	2.7
93.07048	6.5
94.06548	0.4
95.04996	2.2
95.08617	5.1
96.02993	0.4
96.08154	0.5
97.06537	3.6
97.10214	0.5
99.04459	1.0
105.07038	6.5
106.06525	0.5
107.04993	0.4
107.08591	3.2
107.20163	0.4
109.06527	1.8
109.10153	1.9
110.06020	0.4
111.04455	0.6
111.08083	1.7
113.05956	0.6
117.07018	0.6
119.08592	4.3
120.04485	1.9
121.06506	3.7
121.10126	2.1
122.09728	0.5
123.04435	0.5
123.08080	0.5
123.11703	1.1
125.06002	1.9
125.09629	0.5
127.07561	0.7
131.08578	0.6
133.06525	0.4
133.10124	3.9
134.06029	0.5
135.08081	1.0
135.11702	0.8
137.06047	0.4
138.05515	21.4
138.08153	0.6
138.09142	9.0
139.07536	2.6
141.05443	0.6
143.07039	1.0
143.08565	1.1
144.08156	0.4
145.10133	1.4
147.08041	0.4
147.11694	8.4
148.03918	2.6
149.09586	0.5
149.13242	0.9
150.09132	0.9
155.07147	0.4
157.08821	2.1
157.09975	2.3
158.09698	0.5
159.06491	0.6
159.11670	1.8
161.13292	2.3
163.05052	0.7
165.12836	2.1
166.05011	35.3
168.08189	0.4
171.10289	1.0
171.11737	1.3
173.08215	0.9
173.09555	0.4
173.13246	0.9
175.11182	4.2
184.11226	1.2
189.12749	3.1
191.14270	0.6
193.01701	2.7
193.12210	3.2
194.09604	0.5
196.09914	1.0
198.09096	0.6
199.11224	1.6
200.09261	0.5
201.10213	0.4
207.13794	2.0
211.02797	1.4
211.12341	1.3
212.10719	2.7
214.12363	4.4
217.12239	6.2
224.10803	0.5
225.14841	1.7
228.08939	0.5
229.09708	1.2
229.13216	2.4
230.11865	2.4
232.13286	3.1
235.13303	5.6
239.11748	2.2
239.23044	0.4
240.10234	1.5
241.13477	0.7
242.11902	3.2
243.11255	0.9
243.15987	0.8
249.14894	1.3
253.14363	3.9
256.08417	3.5
257.03406	1.2
257.09253	1.6
257.12860	10.9
259.12143	0.9
260.12866	3.2
267.11356	2.6
267.15912	1.9
268.09811	0.7
272.11542	13.6
274.09512	6.5
275.10416	1.1
275.13898	6.3
285.12357	17.6
285.17059	1.1
285.22189	0.8
286.10669	1.0
303.13397	100.0
303.22949	7.0
304.13605	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.0
55.01857	2.9
55.05516	17.0
56.96561	2.1
57.03442	9.8
57.52392	0.9
59.04993	1.0
65.03928	1.7
67.05191	1.3
67.05511	21.9
69.03436	5.0
69.07076	8.2
70.33775	4.0
71.05011	5.0
79.05494	19.9
81.03423	57.7
81.06596	1.5
81.07063	28.8
83.04978	18.0
83.08623	22.7
85.02899	12.1
85.06538	2.6
91.05491	28.1
93.07047	19.0
94.06613	1.1
95.04975	23.0
95.08617	18.7
97.02882	3.2
97.06554	5.5
97.10160	3.1
98.97583	1.3
99.08088	1.7
105.04534	1.1
105.07041	23.8
107.04955	6.9
107.08600	13.9
109.02880	2.5
109.06554	5.0
109.10158	8.0
111.00841	1.1
111.04455	2.5
111.08073	11.4
113.05982	1.9
115.05437	2.2
117.07016	3.6
119.08596	20.8
121.02838	1.3
121.06504	3.6
121.10138	11.8
122.06029	6.4
123.08061	3.6
123.11698	2.6
127.07535	1.1
129.07008	12.4
131.08583	10.6
133.06482	3.3
133.10121	12.7
135.08084	1.5
135.11659	3.7
136.07564	3.7
137.02357	3.8
137.05899	1.3
137.09636	1.3
141.09192	1.1
142.07805	1.9
143.08546	3.8
145.06410	1.2
145.10143	7.5
147.08057	4.1
147.11684	19.2
149.09595	6.3
149.13214	1.6
153.01846	7.7
155.07330	1.3
155.08577	2.4
157.10110	15.5
158.09755	1.2
159.11705	4.5
161.05978	1.2
161.09608	1.9
161.13266	4.4
162.05496	1.1
163.03891	2.0
163.11159	1.6
163.14795	2.0
165.01836	2.3
165.09134	1.1
165.12735	3.1
166.05025	1.4
169.08801	1.6
169.10168	2.6
170.09656	6.6
171.11775	2.8
172.09937	2.0
172.11172	1.9
173.05928	1.6
173.13274	3.0
175.08746	2.5
175.11189	17.2
175.14771	2.0
177.12772	1.8
180.08058	1.2
183.04523	1.4
183.06731	1.1
183.11656	2.5
184.07561	1.4
184.11275	1.3
185.13298	2.1
187.08678	1.5
187.12328	10.0
187.14784	2.1
193.01802	6.2
193.12256	66.7
197.08293	1.2
197.13234	1.8
198.09160	28.9
199.08502	1.4
199.14803	1.6
200.09460	4.9
201.05452	2.6
211.02753	3.9
211.13298	51.3
212.10745	5.6
213.16557	1.5
215.11823	20.4
215.14012	1.7
215.18039	1.6
226.08597	6.4
227.17911	2.5
228.08934	2.4
229.05032	7.2
229.13223	5.3
239.17952	1.7
240.10239	3.7
243.11316	85.5
255.21126	2.1
257.04459	2.3
257.10266	2.2
257.12894	15.3
257.19116	3.8
267.15924	9.0
267.21085	2.2
274.04846	1.4
285.12347	100.0
285.17026	26.8
285.21771	7.0
286.12845	1.7
303.05023	78.6
303.13358	18.0
303.17975	5.7
303.23050	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	303.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01874	0.5
55.05507	2.1
56.96571	0.6
57.03436	0.5
57.07082	0.2
58.90076	0.2
65.03941	2.8
67.05505	3.1
69.03439	0.6
69.07070	3.6
71.04996	1.0
71.52536	0.3
73.06553	0.4
75.10889	0.2
79.05494	2.7
80.05034	0.2
81.03434	0.3
81.07061	6.0
83.04988	1.9
83.08634	1.1
83.09042	0.2
85.06552	1.2
91.05486	3.1
92.05008	3.6
93.07046	8.4
94.06559	0.6
95.04971	2.5
95.08607	6.5
96.08115	0.3
97.02892	0.3
97.06533	4.3
97.10171	0.6
98.97581	0.3
99.04459	1.7
101.06042	0.2
105.07032	7.5
106.06559	0.3
107.04942	0.7
107.07399	0.2
107.08602	4.6
107.28777	0.2
108.08116	0.3
109.02878	0.3
109.06519	2.6
109.10152	1.7
110.09715	0.2
111.04451	0.2
111.08084	2.0
111.11693	0.2
113.06030	0.5
117.07015	0.5
119.04931	0.4
119.08588	5.2
120.04465	1.1
121.06507	3.7
121.10124	1.7
122.06027	0.2
122.09658	0.4
123.04430	0.5
123.08064	0.9
123.11710	1.2
124.07632	0.2
124.11240	0.3
125.06004	2.5
125.09625	0.5
127.07558	1.2
128.06238	0.3
129.07022	0.6
130.05156	0.2
131.08592	1.1
133.06528	0.4
133.10126	4.5
134.05962	0.4
135.04401	0.2
135.08034	1.5
135.11703	0.9
136.07571	0.2
137.05975	0.5
137.09645	0.6
138.05507	23.8
138.09137	10.4
138.10228	0.4
139.07549	3.1
141.05495	0.3
142.07791	0.6
143.07071	1.7
143.08545	1.0
144.08124	0.4
145.10124	2.3
147.08087	0.6
147.11694	9.1
148.03918	2.3
149.09607	0.4
149.13275	0.8
150.09160	1.1
151.07520	0.3
151.11154	0.9
152.03458	0.4
153.09172	0.5
154.07832	0.2
155.07094	0.4
155.08534	0.4
156.09337	0.3
157.06512	0.3
157.08632	2.2
157.10132	2.3
158.09666	0.3
159.06557	0.9
159.08005	0.3
159.11658	1.4
161.05960	0.4
161.09586	0.4
161.13278	2.7
162.05473	0.2
163.05032	1.1
163.11206	0.5
163.14917	0.3
165.12740	2.4
166.05003	38.2
167.05356	0.2
168.08109	0.3
169.07597	0.2
169.08873	0.7
169.10172	0.4
169.12225	0.8
170.09648	0.3
170.72910	0.2
171.10300	0.8
171.11716	1.7
172.07562	0.3
172.11284	0.4
173.08179	0.6
173.09642	0.5
173.13243	1.0
174.09163	0.4
175.00670	0.2
175.11186	5.0
175.14905	0.3
177.12714	0.4
179.07143	0.2
179.14261	0.3
181.08849	0.3
181.10268	0.3
182.08177	0.2
184.07533	0.3
184.11227	1.7
185.08310	0.3
185.13202	0.2
186.05569	0.3
186.09113	0.2
186.12769	0.6
187.11128	0.3
187.14832	0.5
189.12764	3.2
191.10651	0.2
191.14232	0.3
193.01758	2.3
193.12250	4.1
193.13873	0.3
194.09692	0.4
196.09802	1.0
197.08348	0.3
198.09161	0.7
199.11356	1.4
200.09464	0.6
201.10208	0.9
201.13965	0.4
201.16487	0.3
201.97423	0.2
202.12286	0.5
207.13817	2.1
209.15378	0.3
211.02782	1.9
211.12299	1.1
211.13203	0.7
212.10742	3.9
213.10135	0.4
213.13911	0.5
214.12390	3.6
215.08292	0.3
216.10161	0.4
217.12238	7.7
221.10664	0.2
221.15402	0.6
224.09332	0.4
225.14832	1.8
226.08630	0.4
226.80278	0.2
227.17868	0.2
228.08847	0.6
229.09631	0.9
229.13245	2.4
230.11766	2.3
231.13748	0.2
232.13310	3.8
235.07262	0.3
235.13301	7.2
239.02225	0.6
239.11838	2.1
240.10245	1.4
241.13297	0.8
242.11891	3.6
243.07559	0.2
243.11371	1.2
243.15707	1.0
244.09885	0.4
249.14894	2.4
253.14389	4.4
256.08405	2.8
257.03391	1.5
257.09290	1.7
257.12848	11.4
258.11285	0.5
258.13571	0.3
259.11966	1.1
260.12836	3.4
267.11362	1.9
267.15921	2.5
267.21127	0.5
268.09702	0.9
271.15479	0.2
272.11560	13.4
274.09482	8.5
275.10327	1.2
275.13898	6.5
275.16202	0.2
285.12338	16.0
285.16827	1.2
285.21964	0.9
286.10654	1.3
303.13382	100.0
303.22955	7.5
304.13730	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1955
Annotation	Caribenol A
Peak:m/z	Relative Intensity
54.34536	0.5
55.05503	1.8
57.07081	0.6
67.05502	2.1
69.03426	1.5
69.07056	1.6
71.52931	0.5
76.72337	0.5
79.05482	1.9
81.07062	5.1
83.04982	2.1
83.08596	1.4
86.09684	1.2
91.05485	2.3
93.07059	6.8
95.04993	0.9
95.08617	11.7
97.06513	2.0
102.29353	0.5
105.07035	6.0
107.08601	5.5
109.06526	1.6
109.10159	2.1
111.08106	2.2
117.07022	0.9
119.08590	4.1
121.06516	2.1
121.10168	5.8
123.08099	1.2
123.11744	0.6
124.99997	0.5
125.09631	1.9
129.07063	0.6
131.08572	3.4
133.10118	3.1
135.08043	1.8
135.11687	2.5
137.09637	3.5
143.08604	0.7
145.10110	3.3
147.08069	0.7
147.11717	3.0
149.09636	4.7
149.13225	0.8
149.31569	0.5
150.92471	0.5
151.11201	6.2
155.08595	0.8
157.10158	1.7
159.08133	0.9
159.11746	4.7
161.09650	0.6
161.13254	1.0
163.11192	3.3
165.12686	0.7
169.10143	0.8
171.11679	1.1
173.09648	1.0
173.13274	6.8
175.11279	1.0
175.14854	0.7
177.12773	3.1
183.11749	1.7
184.07396	1.6
185.13278	0.7
187.11176	1.2
187.14832	0.9
189.09053	0.6
189.12747	1.0
197.13330	1.0
199.14844	2.0
201.12805	3.7
201.16341	0.8
205.12233	0.6
211.14819	0.8
215.14348	1.2
215.18027	1.5
219.10220	0.6
219.13911	1.2
229.15936	0.6
229.19507	1.6
239.17934	1.8
257.19034	13.6
280.23969	0.6
285.18497	1.9
285.21930	0.5
303.05127	2.8
303.19580	100.0
304.19632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	Dysokusone E
Peak:m/z	Relative Intensity
53.03934	2.8
55.01878	1.9
55.05516	11.4
57.03428	2.5
57.07057	4.0
67.05507	16.0
69.03426	1.8
69.07072	13.3
71.04991	2.2
79.05497	15.4
81.03424	2.1
81.06607	2.0
81.07060	33.4
83.04977	3.8
83.08599	5.3
91.05485	19.0
93.06482	2.1
93.07046	27.2
95.04948	5.3
95.08611	28.5
97.06544	7.6
97.10172	2.6
99.08092	6.4
100.03983	2.0
105.07042	31.8
107.08601	31.7
108.98119	1.3
109.02960	1.4
109.06553	3.5
109.09480	2.2
109.10166	25.1
111.08064	3.1
115.05457	1.6
117.07022	15.3
119.08585	27.6
121.02802	1.7
121.06458	3.1
121.09341	1.7
121.10154	24.5
123.08057	3.0
123.11696	9.5
125.09632	2.9
128.06180	1.7
129.06949	6.7
131.08577	36.2
133.10144	23.2
135.08051	3.3
135.11696	12.4
137.02361	1.6
137.09619	27.7
137.13243	1.7
139.11176	2.3
141.06970	2.0
143.08551	15.2
145.10127	24.3
147.08031	1.8
147.11684	26.2
147.45192	1.2
149.05997	1.6
149.09573	3.9
149.13261	6.0
149.41760	1.2
151.11183	8.3
153.01828	3.1
155.08524	3.8
157.10133	10.0
159.08165	1.2
159.11700	19.6
161.09593	1.5
161.13251	16.6
163.11229	10.1
163.14839	1.9
165.12691	2.1
169.10101	4.8
171.11685	13.3
173.05965	1.3
173.09616	1.6
173.13260	18.0
173.64102	1.2
174.50107	1.4
175.11177	7.0
175.14769	6.0
177.05362	1.6
177.12772	11.8
179.14374	2.9
180.31049	1.2
183.11685	4.1
185.13347	10.1
187.14841	17.0
189.12682	8.3
189.16388	4.8
191.14250	5.0
197.13235	3.6
198.09099	2.8
199.14784	6.3
201.05505	1.8
201.12657	2.3
201.16406	26.5
203.14244	3.0
205.15945	3.1
211.14742	6.2
213.16287	1.5
215.11813	2.6
215.14322	3.1
217.19519	5.1
219.17427	26.1
225.16272	3.8
227.17940	33.7
229.04964	2.3
229.15851	10.1
229.19406	1.9
239.17958	2.1
243.11334	7.0
243.17477	3.4
243.21060	2.5
245.19011	46.4
255.21220	1.6
257.04419	1.6
257.18909	2.0
257.22659	3.7
267.21112	17.3
273.22159	1.4
285.12256	11.4
285.19128	2.2
285.22116	47.9
303.04962	26.6
303.13281	4.5
303.16226	3.2
303.19714	10.1
303.23160	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2321
Annotation	Flexusine B
Peak:m/z	Relative Intensity
50.39075	0.4
51.24245	0.5
55.05523	2.7
57.03424	0.6
57.07066	1.7
57.80368	0.5
59.04986	0.7
67.05511	5.2
69.03445	0.5
69.07072	8.1
70.69052	0.8
71.04987	0.7
76.64931	0.4
79.05490	4.5
81.06591	0.9
81.07056	13.0
83.04990	0.5
83.08620	2.2
91.05481	8.4
93.07045	12.1
95.04979	2.4
95.08605	11.1
97.06535	1.4
97.10159	1.2
98.20727	0.4
105.03384	0.8
105.07037	7.5
107.05003	0.5
107.08592	6.6
109.06513	1.0
109.10150	8.1
111.11723	1.6
117.07026	2.6
119.08582	11.0
121.06525	1.1
121.10142	4.5
122.69683	0.5
123.08116	0.9
123.11708	19.4
125.09568	0.5
129.07010	2.8
131.08568	6.5
133.10124	7.5
135.08044	1.0
135.11725	2.9
137.09616	5.3
137.13258	1.6
137.48621	0.5
141.06958	0.9
142.07817	0.7
143.08563	4.5
145.10126	6.8
147.08046	1.8
147.11703	2.8
149.09619	2.0
149.13268	1.8
151.11198	2.5
152.07024	1.1
154.07825	0.6
155.08572	3.8
156.09358	0.7
157.10120	4.1
159.11710	5.7
160.51233	0.4
161.09630	1.3
161.13258	3.0
163.11163	0.8
163.14862	0.9
165.09131	7.1
169.10121	3.4
171.11713	3.5
172.97485	0.5
173.09604	0.8
173.13220	3.9
175.11198	1.6
175.14819	2.0
179.10680	1.6
183.11729	2.4
185.13281	2.8
187.14844	2.4
187.84734	0.5
189.12735	5.5
189.16411	1.2
193.12215	0.6
196.12556	0.5
197.13264	5.4
199.14841	1.1
201.12730	1.9
201.16402	1.5
203.14369	2.8
207.13937	0.5
211.14835	4.0
215.14253	6.1
225.16444	2.2
227.17961	2.1
229.15944	2.2
229.19478	1.2
238.80630	0.5
239.17918	1.1
241.19432	0.7
243.17358	1.2
243.21196	0.6
247.16872	0.6
257.19031	0.6
257.22681	1.3
267.21082	12.8
285.22125	20.9
303.23181	100.0
304.23636	1.0
304.28375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01863	1.1
56.05015	1.4
56.32516	1.0
57.03432	2.5
58.06591	2.1
60.04528	7.8
61.02924	4.6
61.80452	0.9
67.05489	0.8
69.03436	13.5
69.07072	35.2
69.21304	9.7
71.04984	0.9
71.08637	21.6
73.02922	1.9
79.05495	1.8
81.03430	8.2
81.05813	1.2
83.08612	1.5
84.04496	3.4
84.08154	1.3
85.02911	60.5
86.02428	6.3
86.06024	1.2
86.34246	1.0
87.04482	1.2
95.04977	1.0
96.04472	1.0
96.08146	3.0
97.02898	37.2
97.06517	6.7
98.06846	1.4
98.97601	1.0
99.04456	3.0
103.03956	5.9
109.02886	10.5
110.02457	1.1
113.06001	1.7
114.05530	3.1
114.09173	20.5
119.05008	1.3
124.07656	1.6
126.09174	1.3
127.03938	15.4
127.04860	1.8
128.07103	1.8
137.06010	4.9
138.09158	2.9
142.08644	100.0
145.04971	9.6
152.10667	1.0
154.08618	1.6
156.10257	2.2
166.08737	1.7
180.10144	1.1
184.09702	69.1
185.09248	4.2
194.08185	1.0
203.51158	0.9
208.09706	13.8
220.09705	2.1
222.11250	1.1
227.64134	0.9
238.10751	2.3
250.10811	9.3
255.08649	2.2
268.11847	1.4
286.09183	4.1
286.13373	3.9
304.13843	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	304.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.2
56.05038	9.2
57.03439	2.0
67.05500	7.9
68.05016	2.4
69.03415	3.9
69.07074	3.7
70.06606	3.2
71.43135	1.9
71.43466	2.6
72.08147	2.4
73.88771	1.6
76.04011	57.8
78.72588	1.8
79.05501	9.5
81.03425	31.9
81.07091	11.8
82.06548	2.1
83.04981	13.7
83.08616	13.7
84.04571	1.9
84.08134	2.1
85.02874	1.8
85.06581	1.6
91.05466	9.3
93.07050	8.1
95.04974	12.6
95.08613	5.4
95.78076	1.6
97.10187	2.7
98.97569	2.0
102.05561	2.7
105.07013	7.0
107.04944	2.4
107.08616	5.1
107.51730	1.8
109.06551	3.2
111.08111	7.0
114.05523	4.8
119.08581	5.8
121.10136	3.0
122.70970	1.9
129.06984	3.0
131.08580	6.6
133.10141	7.3
134.09653	1.8
139.11119	2.6
147.11714	5.7
149.09612	4.3
150.12778	3.9
157.10126	6.2
168.13835	3.6
175.11189	8.5
178.12302	5.6
185.09224	7.1
193.12256	35.3
193.13913	3.3
196.13354	24.9
211.13300	100.0
214.14371	10.2
224.12831	7.8
240.15996	4.2
242.13895	11.5
260.14960	6.1
260.18085	1.5
268.15521	4.7
286.13742	3.1
286.16492	8.9
286.19659	1.9
304.05377	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	304.2633
Annotation	Fenpropimorph
Peak:m/z	Relative Intensity
50.02904	0.1
53.03934	0.6
55.01872	0.7
55.05514	5.6
55.44619	0.1
56.05027	0.3
57.07079	1.0
58.07396	0.4
65.03950	0.8
67.05508	15.7
68.05012	0.2
69.03461	0.1
69.07071	5.4
70.06594	1.4
71.06914	0.4
71.08611	0.3
72.04509	0.4
72.08955	0.2
77.03944	0.2
79.05496	5.9
81.03430	0.2
81.07060	12.6
82.06585	0.4
83.04987	0.2
83.08634	1.4
84.04506	0.2
84.08109	0.2
85.04823	0.2
85.05289	2.9
86.06068	0.9
88.07629	1.3
89.07955	0.5
91.05483	2.5
93.07046	4.6
94.06603	0.2
95.04968	0.5
95.08611	8.7
96.08121	0.6
97.10166	0.3
98.06059	15.8
98.09679	0.3
99.06833	0.4
102.09178	0.2
103.09539	0.2
105.07038	1.5
106.08677	0.7
107.08564	2.5
108.08104	0.2
109.06492	0.2
109.09483	0.2
109.10165	2.9
110.09689	0.7
112.07608	2.2
117.07003	0.2
119.08564	0.9
121.10138	1.5
123.08049	0.2
123.11740	0.7
124.07605	0.7
124.11232	0.4
125.08445	0.3
126.09137	0.8
131.08556	0.5
133.10133	0.7
135.11649	0.7
138.09177	0.7
138.12798	0.2
140.10713	1.3
145.10144	0.4
147.11668	0.4
148.11234	0.2
149.13243	0.3
152.10710	0.7
154.12256	1.0
159.11752	0.2
161.13234	0.3
163.14810	0.2
166.12277	0.6
168.13785	0.6
173.13235	0.2
180.13887	0.6
182.15413	0.4
194.15450	0.6
196.16945	0.8
208.16983	1.1
210.18571	0.3
220.17049	0.3
222.18517	0.9
224.20250	0.1
234.18559	0.7
236.20135	0.4
248.20178	0.4
262.21741	0.3
273.73047	0.2
275.64877	0.2
286.30139	0.8
304.26346	100.0
304.31100	11.7
305.26920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
71.16158	37.5
81.42367	17.6
84.14779	15.2
94.93018	22.0
100.71589	18.7
114.05522	55.9
115.05843	31.5
139.08688	15.0
142.01732	16.3
160.60800	19.6
165.97253	15.7
185.02919	17.0
185.09258	72.8
186.07773	18.7
186.09477	64.9
272.66254	15.7
286.14053	27.4
287.14352	100.0
305.00964	60.5
305.06268	18.5
305.12210	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60485	1.0
55.67613	1.0
56.96544	1.3
57.03408	1.2
57.82346	1.0
62.74276	1.0
68.98286	1.1
69.03410	4.0
69.07040	1.7
70.06570	3.9
71.51471	1.6
72.93775	1.4
73.02900	1.5
79.05468	1.1
81.03413	1.4
82.99846	3.6
84.08120	3.9
85.02910	7.0
86.09694	7.3
87.10023	3.9
91.05453	1.0
94.99837	1.2
95.78941	1.0
97.02901	5.4
97.06535	1.6
99.04401	1.0
101.00289	1.7
101.00888	23.5
103.02464	1.2
109.02879	1.8
111.04382	1.1
113.00869	7.0
114.05505	2.0
115.02415	1.8
119.01930	46.3
127.02382	3.4
127.03860	3.8
130.06476	2.6
131.01913	21.3
132.08482	1.1
133.03470	2.0
137.02982	5.5
143.01909	49.2
143.06982	2.5
144.11974	1.6
145.03473	9.6
149.02924	3.7
155.01900	12.8
157.03464	7.1
158.05980	5.1
158.13692	2.3
161.02969	100.0
167.01851	3.2
169.03430	4.0
171.04985	2.1
172.11673	1.1
173.01456	1.4
173.02971	29.4
173.06963	3.3
175.04524	2.4
179.04039	2.1
184.04515	2.9
184.95964	1.5
185.02982	15.3
185.06532	2.8
185.09232	1.5
186.09480	4.0
186.13008	1.1
187.04468	3.9
191.04028	9.3
193.33147	1.3
196.04579	1.0
197.02948	12.0
203.04030	29.0
203.07587	1.9
207.95499	1.1
215.04103	6.9
215.07695	6.1
221.04994	2.7
226.97002	1.5
227.03908	3.0
233.05040	2.0
233.08789	5.4
245.05048	10.8
245.08810	1.5
251.06073	2.7
259.06955	1.8
263.06079	2.5
263.09866	1.8
269.07065	1.3
287.14124	3.7
300.34244	1.1
305.10779	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.2
53.03955	0.8
55.01878	0.4
55.05510	0.6
56.05033	0.5
57.03435	0.4
61.01151	0.3
65.03962	0.3
65.85190	0.2
67.05504	2.8
67.58487	0.2
69.03445	0.4
69.07088	0.6
70.06590	0.3
70.18001	0.8
70.78814	0.2
71.04999	0.3
77.03930	0.3
78.64109	0.2
79.05493	1.5
80.05036	0.2
81.03413	0.4
81.07074	1.9
83.05003	0.4
85.02922	0.3
86.09728	0.8
87.04459	0.2
91.05486	3.7
93.05830	0.3
93.07058	3.4
94.06581	0.9
95.04987	1.1
95.08619	0.8
96.08142	0.8
97.02820	0.2
97.06504	0.5
98.97602	0.4
104.05347	0.6
105.07050	0.7
107.08617	0.8
108.04465	0.6
108.08148	1.5
109.06513	0.3
109.10155	1.9
119.08620	0.6
121.10152	1.7
122.06044	5.2
123.08089	0.5
124.07603	9.2
126.05524	1.2
127.03979	0.3
131.08601	0.6
132.10216	0.4
135.08044	0.3
136.07587	100.0
137.08026	0.3
138.09111	0.7
139.11145	0.3
140.07045	0.7
145.10136	0.3
146.06281	0.4
149.09677	0.7
149.13266	0.2
150.05565	0.5
152.07079	18.8
155.10719	0.6
158.06041	0.7
159.06866	0.3
164.07079	77.3
166.08673	1.5
167.10707	0.8
170.08141	6.0
173.11806	2.4
182.08139	16.7
184.09718	0.7
191.02351	0.2
195.10280	0.3
195.70233	0.2
214.12306	0.2
216.53792	0.2
231.05627	0.2
241.15855	0.3
242.11948	0.4
256.06097	0.3
269.10257	0.4
287.10626	0.4
287.13889	6.5
305.05530	3.2
305.11295	0.6
305.14920	2.0
305.20917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.3
53.03952	0.7
67.05507	2.0
70.23182	0.7
77.03950	0.4
79.05492	1.1
81.03406	0.3
81.07062	1.2
81.36562	0.2
83.04943	0.3
85.02937	0.3
86.09710	0.8
91.05474	3.3
93.05753	0.5
93.07045	2.6
94.06562	1.0
95.04977	1.2
95.08595	0.5
96.08137	0.6
104.05330	0.6
105.04556	0.3
107.08588	0.5
108.04475	0.7
108.08141	1.9
109.06534	0.3
109.10178	1.8
119.08577	0.3
121.10155	0.7
122.06032	4.4
124.07596	9.9
126.05519	1.1
132.10205	0.4
136.07582	100.0
138.09166	0.6
140.07068	0.8
145.10339	0.3
146.06427	0.4
149.09708	0.5
150.05476	0.7
152.07072	16.4
155.10651	0.7
158.06088	0.3
164.07072	78.5
165.07298	0.3
166.08662	0.9
167.10602	0.4
170.08133	5.1
173.11783	1.4
174.05829	0.3
182.08130	18.0
184.09714	0.4
215.89273	0.3
244.13315	0.3
251.67880	0.3
257.19171	0.3
269.10068	0.4
287.13858	6.6
305.05469	0.8
305.14853	2.0
305.20920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	NSC 177499
Peak:m/z	Relative Intensity
57.03430	1.7
67.05508	5.2
69.03418	3.5
69.07084	9.2
70.06591	1.7
71.50620	1.1
71.50970	1.2
72.93793	1.0
79.05483	3.7
81.03413	2.2
81.07078	2.5
85.02898	3.3
86.09697	2.9
87.30933	1.0
91.05480	2.4
93.05776	1.3
93.07057	1.9
94.06561	4.2
95.04965	2.4
97.02899	2.5
97.06518	3.8
98.97582	1.0
107.08591	2.1
108.07447	1.2
108.08125	17.8
109.02865	2.5
109.06506	2.0
109.82601	1.3
110.06027	4.9
112.68421	1.0
115.07571	1.1
116.01756	1.0
118.06558	5.2
119.07318	3.2
120.08130	9.2
122.06062	4.4
123.06819	1.8
124.07598	9.3
125.06010	1.2
125.09654	5.3
127.03928	3.5
128.07098	1.4
136.07588	93.8
138.09103	1.4
142.08623	11.4
143.07048	8.2
143.10678	4.2
144.08130	1.5
146.06071	6.5
147.06813	2.2
148.07587	5.7
152.07117	2.2
154.08632	3.4
160.07616	1.9
161.08186	4.9
164.07082	36.7
166.08600	1.8
173.10767	3.4
174.07959	1.8
181.08888	2.4
195.09325	1.0
196.11243	1.5
197.10744	1.3
198.07849	1.5
198.11519	2.5
201.10233	4.9
211.08636	3.0
212.09410	2.1
213.10269	6.6
213.13908	3.7
215.11639	1.2
224.10728	2.7
225.10294	5.6
226.10938	8.2
239.08231	1.1
239.11708	1.4
240.12617	3.1
241.09781	5.5
241.13385	24.8
247.10707	1.1
251.11934	1.0
254.10542	3.0
258.13724	1.1
259.14456	26.8
269.09991	2.3
269.12863	38.8
277.15598	2.0
287.09839	4.4
287.13907	37.9
298.88272	1.2
305.14978	100.0
325.29431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Acalycixeniolide L
Peak:m/z	Relative Intensity
53.03949	3.3
55.01851	3.0
55.05518	15.4
57.03450	2.2
57.07074	3.5
67.05510	20.4
68.07738	2.0
69.03413	1.9
69.07066	36.4
69.87258	4.0
69.87659	3.2
71.04977	1.9
71.08618	2.5
76.72279	1.7
79.05496	21.0
81.07056	56.7
83.04955	3.4
83.08616	19.6
85.02890	1.9
85.06552	2.8
88.07624	2.7
91.05469	20.0
93.07045	48.2
95.04967	4.0
95.08612	46.4
96.05511	1.7
97.06524	5.6
97.10145	6.2
101.85960	1.8
105.07037	27.7
107.04961	2.6
107.07890	2.5
107.08600	46.3
109.06503	8.1
109.09480	2.4
109.10161	32.2
111.08063	3.9
111.11706	4.0
117.07019	9.2
119.08575	36.2
121.06490	4.8
121.09324	2.7
121.10143	24.5
123.08053	5.7
123.11721	28.3
125.05984	3.9
125.09614	6.3
128.06184	2.3
128.86023	1.7
129.07025	8.8
131.08571	15.6
133.10127	31.2
134.47809	1.6
135.08022	4.9
135.11684	23.1
137.05992	16.2
137.09595	6.0
137.13252	7.4
139.07552	3.4
139.11137	3.1
142.07721	2.2
143.07018	1.7
143.08553	13.5
145.09065	3.2
145.10127	42.4
147.08044	4.8
147.11681	20.4
149.09639	2.7
149.13264	42.5
151.07533	2.3
151.11195	2.2
152.07045	3.7
153.07280	2.0
156.09369	3.1
157.10130	23.5
159.10452	2.8
159.11693	28.8
161.09659	4.7
161.13268	20.7
163.07530	3.3
163.11176	4.4
163.14815	57.7
165.09090	9.5
165.12839	2.3
167.07027	4.0
169.10196	2.7
171.11668	25.1
173.13269	14.4
175.11168	7.4
175.14854	8.3
177.09103	3.6
177.12776	4.2
177.16370	2.8
179.10728	8.7
181.10031	2.2
183.11674	1.8
185.09560	2.7
185.13281	18.6
187.11203	2.8
187.14801	7.7
189.09090	3.7
189.12749	3.1
189.16389	9.0
191.10713	20.8
191.14273	3.3
191.17976	3.0
193.12279	4.5
199.11168	2.8
199.14822	13.2
201.12672	2.2
201.16377	5.3
203.10681	7.3
203.14316	3.2
203.17928	2.3
205.12242	7.0
209.11713	3.1
213.16345	4.8
215.17897	1.8
217.12274	16.9
217.15822	2.3
217.19624	1.8
219.13826	3.7
221.11749	8.3
225.16319	5.2
227.17932	3.1
229.19498	7.1
231.13849	11.2
231.21104	13.8
233.15617	2.8
235.97961	1.8
241.19519	29.4
243.21149	2.1
245.15381	2.5
251.18002	2.2
257.18979	3.7
257.26602	2.0
259.16922	2.1
259.17838	2.5
259.20572	25.1
269.19000	9.0
269.22620	14.5
273.18399	2.3
275.20047	24.0
277.21573	2.4
287.20026	100.0
287.23627	24.7
305.17844	3.8
305.21060	74.0
305.24692	34.9
305.28644	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	305.2112
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03954	5.7
55.01870	5.4
55.05514	34.8
57.03431	5.4
57.07069	6.1
58.07418	1.9
59.05017	1.6
59.40476	1.7
60.37750	1.4
62.22551	1.3
65.03942	2.0
67.05508	45.6
68.05845	2.3
69.03431	3.7
69.07070	22.6
70.06589	4.5
71.04994	4.1
71.06922	2.1
71.08644	2.8
71.52106	2.2
72.08944	2.1
79.05497	46.0
81.03445	1.8
81.07063	58.5
82.07401	3.2
83.04983	4.0
83.08623	13.8
85.05289	2.1
85.06544	4.7
88.07640	6.0
89.07963	3.0
90.08105	2.1
91.05484	58.2
93.07052	45.9
94.07373	1.7
95.04975	8.3
95.08613	34.7
96.08957	2.7
97.06528	7.4
97.10180	11.3
98.06059	7.7
99.06397	4.0
103.05457	2.1
105.07038	46.2
106.08717	1.9
107.04988	5.0
107.08584	27.4
108.09070	2.5
109.06538	9.1
109.10147	11.0
111.08088	4.2
113.06004	2.9
113.07919	1.7
115.05482	6.2
116.06287	2.7
117.07018	24.9
119.08584	30.2
121.06555	8.4
121.10148	20.7
123.08090	8.1
123.11730	4.2
125.05997	1.9
125.09647	6.1
128.06248	9.6
129.07025	15.8
130.07813	5.8
131.08577	59.9
133.06531	5.0
133.10136	19.7
135.08055	10.2
135.11703	9.1
137.06009	6.9
137.09634	3.0
137.13271	3.0
139.11223	7.4
141.07018	6.8
141.09167	1.8
142.07805	4.4
143.07310	2.3
143.08566	45.5
145.10132	54.9
147.08044	9.7
147.11691	7.3
149.09627	5.5
149.13303	4.8
151.11145	3.7
155.08617	2.3
157.10143	11.4
159.08165	3.0
159.11685	13.3
161.09634	11.0
161.13318	2.7
163.11168	4.5
163.14841	3.6
169.10120	9.1
171.11700	11.3
173.09633	1.8
173.13290	4.2
175.11243	4.3
177.12746	2.3
181.10101	7.0
183.11679	8.1
185.13327	4.2
187.11322	2.5
187.14812	1.6
189.12677	1.8
195.11710	10.8
199.11227	2.4
199.14902	2.5
201.12737	3.4
203.17952	2.5
213.16304	2.2
227.14333	2.2
227.18028	2.6
236.08849	1.7
237.16476	8.3
245.18964	4.4
252.65778	1.6
255.17508	7.2
268.65460	1.5
269.22650	3.0
273.18506	25.7
277.21671	1.9
287.16794	2.1
287.20023	8.3
287.23596	4.1
287.30438	4.6
305.17761	2.4
305.21552	17.8
305.26718	81.0
305.31458	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	ent-15-Nor-14-oxo-8(17),12E-labdadiene-18-oic acid
Peak:m/z	Relative Intensity
53.03937	0.6
53.55496	0.3
55.05510	2.6
57.07058	0.4
59.04994	0.4
61.80457	0.3
67.05505	2.5
69.06732	0.5
69.07070	6.1
69.61729	1.4
79.05473	1.4
81.06597	0.5
81.07059	8.6
83.04964	0.6
83.08619	3.1
85.06530	0.3
91.05463	1.5
93.07043	4.1
95.04968	3.3
95.08612	13.9
97.06532	6.8
97.10165	1.0
105.07021	4.0
107.08593	4.9
109.06528	0.6
109.10163	4.6
111.08066	0.9
113.09632	0.5
117.07027	0.7
119.08594	5.5
121.06506	5.0
121.10154	2.6
123.08105	0.6
123.11707	6.0
125.09608	0.5
128.06207	0.3
129.07010	0.5
131.08607	1.7
133.10136	3.4
135.08052	1.8
135.11696	1.8
137.09627	0.7
137.13271	0.7
139.07581	0.5
142.07829	0.4
143.08585	2.4
144.09280	0.4
145.10138	7.7
147.08005	1.8
147.11659	2.9
149.09621	1.3
149.13324	1.6
151.11198	0.8
156.09320	1.3
157.10133	4.7
159.08014	0.4
159.11694	4.7
161.09631	2.3
161.13252	5.2
163.11229	1.5
163.14845	3.2
165.12749	3.1
171.11693	17.2
173.09554	0.4
173.13310	1.9
175.11159	1.2
175.14833	7.8
177.12767	7.4
179.14369	0.5
185.13245	5.9
187.11148	0.6
187.14764	0.8
188.11911	0.9
189.12747	5.5
191.14320	1.6
199.14861	2.4
201.16399	2.7
203.14316	25.8
213.16383	1.6
215.18002	1.5
217.12248	0.3
217.19531	1.0
231.21088	4.4
241.19527	11.3
259.20584	100.0
260.20969	0.8
287.20029	0.8
298.97989	0.3
305.21118	54.8
305.31497	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.211
Annotation	Homaxinolide A
Peak:m/z	Relative Intensity
55.01860	0.5
55.05515	5.0
56.96570	0.5
57.03444	0.7
57.07061	0.6
67.05243	0.4
67.05512	4.5
69.03442	0.6
69.07066	3.5
69.71876	1.7
69.72276	0.9
71.04984	0.8
79.05513	4.2
81.07059	8.6
83.04987	33.8
83.08635	1.2
91.05470	3.0
92.72166	0.4
93.07051	10.0
94.71564	0.5
95.04978	1.0
95.08613	13.5
97.06532	2.4
97.10126	0.6
99.08102	1.1
105.07029	6.8
107.08600	15.0
109.06516	2.4
109.10161	13.6
111.08093	1.8
111.11712	0.4
117.07021	0.6
119.08587	8.0
121.10155	25.6
123.08080	4.2
123.11693	4.5
125.09614	2.0
131.08554	1.7
133.10136	3.5
135.08070	4.6
135.11703	16.9
137.09615	6.8
137.13261	0.7
139.11172	1.8
143.08597	1.0
145.10107	3.0
147.11710	2.3
149.09637	3.5
149.13231	1.6
151.07520	1.9
151.11188	2.2
153.12735	0.7
157.10141	1.4
159.11734	2.6
161.09595	0.8
161.13269	9.1
161.14474	0.9
163.11197	1.2
163.14815	1.1
165.12845	0.6
167.10663	0.6
171.11687	2.5
173.13260	0.8
175.11258	0.7
175.14867	2.4
177.16449	0.7
181.12189	0.7
185.13258	2.0
189.12762	2.7
193.12280	0.6
199.14769	1.2
201.16406	2.0
203.14386	0.5
207.13789	3.1
221.15417	1.0
241.19504	6.7
259.20599	10.1
266.51318	0.6
269.19034	1.1
282.11035	1.4
287.20020	2.1
300.12024	0.6
305.21121	100.0
306.21414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	Isotrinervidiol
Peak:m/z	Relative Intensity
50.91192	0.3
55.05518	2.6
57.07061	0.6
60.14505	0.3
65.03950	0.4
67.05185	0.3
67.05506	3.8
69.03416	1.0
69.06731	0.4
69.07072	4.7
69.26418	2.8
78.43974	0.3
79.05493	3.8
80.63777	0.3
81.07062	12.2
83.04981	0.8
83.08616	2.0
85.06528	0.6
90.89304	0.3
91.05489	2.2
93.07050	9.8
95.04926	0.4
95.08614	10.9
95.55441	0.3
97.06533	1.9
97.10176	1.5
98.06051	0.3
99.08126	0.3
105.07034	3.8
107.08595	6.6
109.06518	1.1
109.10165	6.2
111.08121	0.7
111.11679	0.4
117.07005	0.7
119.08578	3.9
121.06511	1.6
121.09459	0.3
121.10152	8.9
123.08066	0.7
123.11713	13.6
125.09652	2.3
127.15026	0.3
131.08557	2.1
133.10136	2.8
135.08061	0.8
135.11696	1.7
137.09630	0.4
137.13258	0.7
139.11189	1.0
142.07767	0.4
143.08580	2.0
145.10124	3.3
147.08055	0.9
147.11703	3.2
149.09622	1.2
149.13257	3.8
151.11224	0.5
157.10135	2.6
159.11693	2.7
161.09644	0.7
161.13277	3.1
163.11160	0.9
163.14842	4.1
165.12778	1.2
167.10658	0.9
171.11700	3.3
173.13278	3.0
175.08232	0.3
175.11221	0.9
175.14839	1.9
177.12766	2.3
179.14345	0.6
185.13300	1.3
187.14871	2.3
189.12733	0.7
189.16388	0.4
191.14288	1.1
199.14827	3.1
201.16344	0.5
203.14307	3.1
203.17979	0.6
205.15887	0.7
213.16391	2.8
215.17941	0.4
217.15880	1.6
219.17361	0.4
227.17947	1.0
229.19470	0.6
231.17465	1.0
241.19518	2.3
243.21138	1.4
259.20581	2.5
259.24460	0.5
269.22623	3.0
287.23691	8.4
305.24753	100.0
306.24979	0.9
306.27963	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	3.5
55.01863	4.8
55.05514	32.0
56.96553	1.9
57.03434	6.7
57.07074	3.7
58.24128	1.8
59.04991	2.6
65.03929	2.1
67.05183	3.1
67.05509	38.7
69.03421	3.3
69.06727	2.5
69.07069	31.0
69.24856	15.0
71.04973	6.2
77.11491	1.6
79.05498	35.6
81.03418	3.0
81.07061	88.1
83.04991	4.1
83.08621	12.4
85.02883	2.1
85.06546	4.9
91.05482	30.5
92.40087	1.5
93.07050	83.5
95.04991	8.5
95.08611	67.6
97.06528	7.9
97.10167	15.5
98.97574	5.1
99.08035	1.8
103.05476	2.0
105.04610	1.8
105.07038	45.2
107.04940	7.4
107.08602	74.4
109.06528	13.5
109.10159	45.7
111.04479	2.1
111.08065	6.0
111.11720	4.1
113.05939	2.2
115.05509	1.8
116.98644	1.6
117.07036	12.7
119.08582	34.0
121.06498	11.1
121.10152	57.5
121.11034	3.2
121.65878	1.7
123.08073	12.9
123.11710	22.7
125.05941	2.8
125.09620	10.5
129.07025	4.3
131.08585	18.1
133.06480	3.9
133.10126	27.0
135.08093	13.2
135.11694	39.2
137.05960	5.8
137.09599	5.6
137.13239	5.9
139.11160	5.6
140.39467	1.6
143.08578	10.1
145.06490	2.7
145.10121	17.5
147.08061	5.5
147.11703	24.2
149.05977	8.9
149.09613	4.3
149.13266	55.9
150.28337	1.7
151.07510	5.0
151.11197	2.9
151.14787	2.5
153.09137	4.0
155.08588	2.6
157.10133	10.2
159.08032	2.7
159.11684	14.0
161.06001	15.5
161.09647	3.7
161.13255	17.4
163.07556	5.6
163.11157	4.6
163.14835	30.9
165.09129	3.1
165.12662	3.2
167.10704	2.2
171.11656	8.4
173.01201	2.4
173.09641	3.0
173.11874	2.9
173.13225	11.9
175.07475	3.7
175.11128	5.4
175.14873	9.6
177.09239	2.6
177.12755	8.6
177.16399	4.1
179.07106	2.0
179.14328	4.0
181.12132	1.6
185.09584	2.2
185.13229	6.2
187.14861	6.6
189.09145	4.2
189.12799	2.0
189.16402	7.0
191.10805	2.0
191.12721	1.8
191.14308	6.8
195.13763	3.2
199.14870	5.3
201.16415	9.0
203.14410	2.5
205.15976	3.9
209.15404	4.8
213.16377	8.3
215.18164	2.1
217.15941	4.0
217.19470	3.7
227.14383	1.9
227.17934	5.5
229.19507	7.6
231.13731	4.1
231.17465	3.8
235.16954	2.3
239.17819	1.7
241.15756	4.1
241.19519	4.4
243.17424	2.1
245.19037	2.6
245.22684	6.6
257.19284	1.8
257.22623	3.8
259.16962	5.5
259.24216	2.7
269.15347	6.2
269.19461	3.3
269.22626	25.7
277.18353	1.8
287.13303	2.8
287.16412	31.7
287.20047	10.5
287.23618	45.7
305.06641	1.7
305.10233	1.8
305.14297	3.3
305.17419	35.7
305.21054	23.5
305.24725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2474
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03947	1.9
55.05274	1.4
55.05513	19.7
57.03422	2.9
57.07080	6.0
58.75687	1.2
67.05179	1.4
67.05506	14.1
68.48844	1.3
69.03410	2.7
69.07072	28.8
69.18668	2.4
69.19075	12.3
71.04984	4.3
73.06553	2.5
74.48347	1.4
79.05495	15.4
81.06590	2.3
81.07059	34.5
83.04946	1.9
83.08620	10.1
85.06530	5.0
91.05487	15.2
93.06490	2.2
93.07047	36.5
95.04966	2.1
95.08614	47.3
97.06506	4.7
97.10163	8.9
98.69823	1.6
98.97585	11.4
99.08089	3.3
101.06020	3.2
105.07037	32.7
107.08598	57.0
109.06516	3.6
109.10162	33.4
111.08092	2.6
111.11695	3.3
112.99123	2.2
115.07543	5.9
116.98624	3.0
117.07010	4.0
119.08586	32.0
121.06539	1.3
121.10145	48.2
123.08067	3.4
123.11710	14.0
125.09599	5.9
127.11176	1.5
129.90318	1.6
131.00195	1.2
131.08560	8.2
132.82634	1.4
133.10130	26.6
135.04430	1.3
135.08043	2.9
135.11688	22.4
137.05878	1.3
137.09590	1.5
137.13254	4.1
139.11140	5.2
140.33598	1.3
142.07765	1.8
143.08496	2.6
143.10713	7.7
145.10126	13.2
147.11697	24.6
149.06010	2.1
149.13268	24.7
151.14731	1.8
155.10692	1.5
157.10152	4.0
158.99651	3.1
159.11700	12.7
161.13257	18.2
163.11191	2.4
163.14827	37.5
169.10165	1.7
171.11685	6.6
173.01218	1.4
173.13326	8.7
175.07661	1.5
175.11290	1.4
175.14841	9.6
177.00749	2.3
177.12729	3.9
177.16423	13.6
179.14259	1.5
185.13263	3.1
187.14777	7.0
189.16393	32.1
191.14284	2.9
191.17950	8.2
195.11409	1.2
199.14818	7.2
201.16412	10.4
203.14420	2.8
203.17966	3.5
205.19455	2.0
209.15361	3.5
213.16400	5.8
215.18068	1.7
217.16045	2.6
217.19516	29.1
221.15421	4.1
227.17937	2.9
229.19530	5.5
231.17407	3.0
235.16949	2.1
241.15720	1.7
241.19318	1.7
243.21045	2.9
245.22653	3.3
249.18495	2.8
255.90968	1.4
257.22672	3.3
259.24188	4.6
262.13315	7.7
265.10107	1.6
269.22601	13.3
277.25116	1.6
283.13684	4.2
287.16479	4.4
287.23682	25.3
305.13635	2.7
305.17416	8.3
305.24741	100.0
306.25256	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.01862	1.4
55.05512	9.4
57.03429	1.6
57.07064	3.6
67.05508	9.4
69.03426	1.5
69.07068	16.1
70.10670	3.6
71.04980	2.7
71.08643	1.0
74.09718	1.1
79.05502	7.5
81.07060	21.4
83.04977	1.6
83.08631	7.3
84.29881	0.8
84.40320	0.8
85.06532	3.0
91.05483	5.4
93.07043	17.6
95.04961	1.4
95.08608	26.2
97.06525	2.7
97.10178	5.2
99.04501	1.1
99.08089	2.0
100.11246	4.1
101.05989	1.2
105.07052	10.3
107.04910	1.1
107.08601	23.1
109.06526	2.0
109.09481	1.2
109.10164	17.3
111.04456	1.1
111.08062	1.8
111.11721	2.8
113.09647	1.9
115.07574	1.3
117.07037	1.9
119.08589	15.7
121.06504	2.1
121.10148	19.5
123.08067	2.2
123.11700	9.5
125.09634	2.8
129.07056	1.0
131.08582	3.8
133.06538	1.2
133.10141	13.1
135.08069	2.3
135.11691	14.1
137.09634	1.2
137.13254	2.4
139.11143	1.9
141.09125	0.9
141.11485	1.1
143.06984	0.9
143.08609	2.1
143.10678	2.5
144.09262	1.0
145.10136	6.0
147.11688	7.9
149.13274	13.3
151.07568	1.4
151.11169	1.0
153.06792	0.8
156.13844	2.5
157.10107	2.7
159.11703	7.1
161.05984	2.0
161.09633	1.9
161.13275	7.0
163.11169	1.3
163.14832	23.1
171.11716	3.1
173.11996	0.9
173.13246	5.3
175.07576	1.1
175.14818	7.0
177.12785	0.9
177.16429	6.6
182.15367	1.6
183.11594	0.9
185.13278	3.1
187.14827	6.5
189.16373	7.9
191.14310	1.8
191.17952	9.9
199.14767	3.2
201.16441	5.3
203.17976	2.1
204.66728	1.0
205.19505	1.6
213.16405	3.2
215.17972	2.1
217.16048	2.1
217.19508	8.0
221.15192	1.2
227.17868	2.4
229.19447	4.1
231.17493	1.3
241.19522	1.3
243.21043	1.9
245.22664	6.8
257.22632	2.4
259.24261	2.8
269.15323	1.1
269.22653	7.0
277.17938	0.9
277.25351	1.4
287.16458	5.6
287.23697	13.2
305.17935	6.7
305.21530	3.8
305.24738	100.0
306.24988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	2.1
55.01861	1.2
55.05513	20.5
57.03434	2.2
57.07066	5.4
67.05512	13.7
69.03425	1.7
69.07072	23.3
69.21113	11.8
71.04991	4.5
79.05502	13.5
81.07063	37.2
83.05003	2.4
83.08614	12.2
85.06540	4.5
91.05503	11.5
93.07049	36.2
95.04990	2.1
95.08610	47.2
96.64520	1.2
97.06552	5.8
97.10155	7.3
99.08089	2.9
101.06007	2.1
105.07034	31.1
107.08598	58.5
109.06501	3.3
109.10165	33.6
109.57446	1.3
111.08064	2.3
111.11722	3.7
115.07575	5.3
117.07045	2.7
119.08582	38.3
121.06502	2.3
121.10149	43.9
121.11038	2.1
123.08082	3.6
123.11710	16.3
125.09640	3.9
129.09077	1.2
131.08577	6.8
133.10141	36.7
135.08063	2.9
135.10703	1.7
135.11707	25.0
137.09605	1.8
137.13258	4.4
139.11188	1.5
141.09119	1.2
142.07767	1.5
142.38588	1.3
143.08566	3.1
143.10674	6.5
144.09358	1.5
145.10139	9.6
147.11708	24.6
148.93924	1.3
149.09694	1.6
149.13278	23.0
151.11169	2.3
155.10683	1.8
156.09352	1.2
157.10136	5.5
158.05940	1.1
159.11696	17.9
161.13266	20.4
163.11235	1.9
163.14833	39.1
165.12767	2.4
171.11681	3.9
173.13243	12.5
175.14821	9.2
177.12785	2.6
177.16389	17.9
179.14317	1.9
185.13248	4.4
187.14818	7.4
189.12769	1.7
189.16391	51.4
191.14429	3.1
191.17902	6.7
193.10370	1.3
199.14833	5.3
201.16393	7.2
203.14240	1.5
203.17987	3.6
205.15729	1.5
205.19518	2.1
209.15453	1.9
213.16376	7.2
215.17839	2.3
217.15994	1.7
217.19547	22.5
221.15390	4.8
227.17924	4.4
229.19524	4.7
231.17465	2.9
235.16742	1.5
241.19577	2.1
244.22650	1.7
249.18565	2.3
257.22571	2.5
259.24216	4.8
269.22665	16.4
277.25375	1.5
287.16644	1.5
287.23685	30.2
287.26910	1.8
305.24750	100.0
306.26239	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
51.24995	0.8
53.03943	2.4
55.01873	1.8
55.05273	1.8
55.05516	26.2
57.03430	2.6
57.07070	3.8
65.03944	1.5
67.05176	1.7
67.05508	21.1
69.03415	3.0
69.07072	35.4
70.97144	2.1
71.04980	2.6
71.08659	1.0
75.47877	0.8
79.05498	20.3
81.07059	47.0
83.04977	2.8
83.08622	11.1
84.84776	0.9
85.06534	3.1
91.05486	12.8
93.07047	63.7
95.04984	5.3
95.08611	52.2
97.06538	4.7
97.10182	15.9
99.08105	1.4
105.07038	20.7
107.08596	77.5
109.06522	6.5
109.10159	25.3
110.11606	0.9
111.08070	2.1
111.11716	2.7
111.68107	1.1
115.07575	1.1
117.07005	1.9
119.08591	18.2
120.08132	1.0
121.06477	1.1
121.10149	49.1
123.08068	5.2
123.11716	16.3
125.05988	1.1
125.09648	4.8
131.08585	2.8
133.06483	1.3
133.10149	15.2
135.08073	2.5
135.11699	23.4
137.09624	2.5
137.13222	3.4
139.11171	2.9
141.09151	1.1
143.08524	1.2
143.10677	1.8
145.10170	4.5
147.11681	12.5
149.05943	1.8
149.09535	1.9
149.13268	87.6
151.11169	3.2
153.12791	1.4
157.10068	2.8
159.11708	4.9
161.05954	4.8
161.13258	8.0
163.11154	1.3
163.14827	23.4
165.12733	3.2
171.11696	2.8
173.13280	3.0
175.14795	4.7
177.12779	2.4
177.16386	3.5
179.14412	2.0
185.13286	1.2
185.46045	1.0
187.14848	3.9
189.11188	1.6
189.12811	1.2
189.16338	5.2
191.14339	1.3
191.18037	1.9
193.12196	1.5
195.13817	1.3
199.14865	2.1
201.16408	2.3
203.18018	2.4
207.17589	1.2
209.15408	3.5
213.16374	3.7
217.19543	1.9
223.16978	1.6
229.19524	2.7
231.13640	1.1
231.17470	1.9
235.16904	2.7
241.19539	1.5
245.22688	2.1
249.18520	4.1
257.22870	1.1
259.16907	1.4
259.24380	2.1
269.15320	1.5
269.22519	4.7
277.25388	4.5
287.16489	8.2
287.19348	1.3
287.20441	1.6
287.23642	14.0
305.17664	7.1
305.24759	100.0
306.25064	1.5
314.97858	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
55.01870	1.3
55.05515	7.6
57.03422	3.8
57.07068	2.3
59.04999	1.2
61.02928	1.9
67.05511	10.4
69.03429	2.2
69.07071	18.7
70.76773	2.3
70.77119	1.5
71.04973	2.5
79.05490	6.4
81.07059	22.2
83.04967	2.6
83.08637	6.9
85.06533	2.9
86.09699	1.7
88.07605	1.4
91.05484	8.9
93.06494	1.4
93.07044	20.6
95.04983	2.6
95.08613	28.4
95.49161	0.9
97.06498	3.7
97.10164	3.0
99.08120	2.3
101.05982	1.3
104.31615	1.1
105.07041	12.7
107.07882	1.6
107.08600	23.3
109.06490	3.3
109.10166	21.0
111.08109	2.1
111.11723	1.9
113.09644	2.2
115.07495	1.5
117.06995	1.7
119.07824	1.4
119.08591	19.0
121.06480	1.8
121.09340	1.5
121.10155	21.3
123.08060	1.5
123.11696	9.4
125.05995	1.6
125.09667	2.3
131.08565	6.3
133.06496	1.4
133.10147	13.7
135.08038	2.8
135.11690	13.0
137.09583	2.9
137.13245	4.8
139.11206	1.6
143.07019	1.6
143.08546	4.0
143.10696	2.7
145.10115	8.3
147.08078	1.6
147.11713	9.6
149.05951	1.0
149.09622	1.9
149.13264	15.2
151.11139	1.6
157.10126	5.4
159.11736	9.8
161.09589	2.6
161.13260	10.0
163.11148	1.3
163.13486	1.1
163.14835	22.9
167.10667	1.2
171.11801	5.2
173.13255	7.4
175.11177	2.6
175.14844	7.2
177.16399	6.9
185.13261	3.5
187.14816	6.8
189.16377	7.9
191.17966	10.8
193.12265	1.3
199.14899	2.5
201.16379	4.5
203.14389	1.9
203.17972	2.2
205.12262	1.5
205.15796	1.3
213.16420	4.1
215.17894	2.4
217.15886	1.1
217.19484	9.5
227.17911	4.4
229.19469	4.0
231.13643	2.0
231.17467	1.4
241.19460	1.8
243.20988	2.4
245.19067	2.1
245.22557	6.0
249.15056	1.2
257.22736	1.1
259.16861	1.8
259.24344	3.2
269.19666	1.2
269.22665	8.8
277.25366	1.6
287.16544	3.6
287.20056	5.7
287.23679	18.8
305.10831	2.1
305.17386	6.9
305.21155	6.7
305.24725	100.0
306.26309	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03917	2.2
55.05517	16.3
57.07061	6.5
66.96382	2.0
67.05504	16.3
69.03412	3.4
69.07072	42.1
71.04982	3.1
71.08643	2.8
71.54185	3.5
79.05500	11.3
81.06596	3.3
81.07056	42.3
83.08622	16.0
91.05475	8.6
93.07044	29.8
95.08608	69.4
97.06528	3.1
97.10177	13.8
105.07031	15.4
107.07898	3.0
107.08598	58.7
109.10169	42.9
111.08022	3.6
111.11687	7.7
113.06013	2.4
119.08589	18.7
121.10139	50.8
123.11704	30.6
131.08510	3.0
133.10133	15.1
135.11703	40.4
137.06065	3.3
137.13268	8.4
139.11192	4.8
143.08591	2.6
147.11636	9.4
149.13263	41.6
153.09048	2.7
157.12189	6.5
159.11644	4.7
161.13229	9.1
163.11253	4.7
163.14828	85.1
167.10664	4.8
171.11565	2.4
173.13280	4.1
175.14806	12.3
177.12769	5.1
177.16338	8.6
181.12277	11.0
185.13205	4.6
189.16364	10.1
190.32277	2.5
191.17888	3.7
195.13786	12.0
199.14731	4.8
209.15317	8.6
213.16357	5.7
217.15990	2.8
221.15312	2.8
223.16977	4.2
229.19527	2.7
235.16876	8.7
243.21019	5.9
245.22687	37.7
249.18407	9.3
269.22693	18.7
272.55505	2.4
287.23666	38.6
305.15775	4.2
305.21518	3.6
305.24686	100.0
305.30035	5.4
320.91794	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	305.2479
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
52.29521	1.8
55.05512	13.8
57.07074	4.9
65.33061	2.0
67.05518	14.5
69.03438	3.7
69.06721	3.3
69.07068	33.5
79.05479	8.7
81.07062	34.9
83.08624	13.0
85.06549	4.6
91.05476	8.2
93.07054	30.5
95.08616	58.5
97.06501	3.1
97.10169	12.9
105.07020	12.0
107.08604	57.1
109.10162	48.1
111.08031	4.4
111.11716	3.0
119.08588	17.3
121.09340	4.5
121.10152	51.2
123.11714	32.2
131.08537	2.7
133.10141	13.9
135.11696	40.1
137.09651	3.2
137.13292	9.6
139.11162	7.7
145.10077	2.9
147.11717	11.0
149.13272	41.2
153.09163	2.4
155.10736	2.2
157.10164	2.6
157.12218	6.3
159.11714	4.2
161.13278	8.4
163.11198	4.0
163.14836	72.5
167.10612	2.4
171.11739	2.6
173.13246	5.5
175.14845	13.3
177.12738	2.7
177.16367	8.3
181.12294	6.9
187.14835	4.0
189.16411	11.0
191.14246	3.1
191.18019	4.1
195.13841	11.7
195.15259	2.1
199.14861	2.9
209.15356	7.0
213.16388	3.0
221.15359	5.4
223.16977	3.4
227.17964	3.0
231.17581	2.3
235.16951	8.9
243.21092	5.2
245.22673	42.6
249.18539	9.6
259.20572	2.9
259.24258	2.6
269.22675	18.4
287.23734	34.0
305.24741	100.0
305.30359	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	305.2477
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
51.71087	1.4
53.03948	1.7
55.05499	6.7
57.03431	1.9
57.07076	2.7
60.52411	1.3
67.05504	16.4
69.07080	17.0
71.04999	1.8
71.52373	2.1
79.05499	13.1
81.07066	41.3
81.79721	1.6
83.04932	1.8
83.08610	4.7
84.59351	1.7
85.06516	2.5
88.07646	1.3
91.05493	11.3
93.07053	47.7
95.04969	3.9
95.08616	35.6
97.06525	2.3
97.10181	3.7
105.07028	17.0
107.07887	2.2
107.08604	41.5
109.06519	4.4
109.10167	24.8
111.08102	2.1
117.06960	3.4
119.08582	18.2
121.10148	30.4
123.08060	5.4
123.11679	6.0
125.09635	3.1
131.08568	9.8
133.10141	11.5
135.08073	2.1
135.11714	14.9
137.05986	8.2
137.09645	8.5
137.13281	2.2
139.11160	7.0
141.08997	1.4
143.08545	4.4
145.10126	12.7
147.10638	1.6
147.11658	10.4
149.13264	61.3
155.10715	2.1
157.10114	6.4
159.11700	12.6
161.13307	11.2
162.13655	1.5
163.14832	100.0
165.12753	2.3
171.11708	5.0
173.13237	7.1
175.14824	11.0
177.12817	2.5
185.13284	4.2
187.14830	8.2
189.16391	9.4
191.14261	4.3
195.11719	1.7
199.14810	6.1
201.16336	2.4
203.18007	3.0
213.16412	10.5
217.19527	1.6
223.17068	1.7
227.17950	3.5
229.19557	18.1
231.17404	2.9
231.21011	2.0
241.19559	5.2
243.21086	3.7
245.22568	4.1
247.20596	8.7
259.20642	2.6
259.24173	2.6
264.10147	2.1
269.22668	26.5
273.18515	2.0
287.20294	3.6
287.23688	65.6
289.21631	2.5
305.17770	2.5
305.21149	6.6
305.24707	64.1
305.28223	2.2
328.79004	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96712	0.3
67.05508	0.4
69.07055	1.2
69.90285	1.3
69.90689	0.5
77.71679	0.3
79.05476	0.5
81.07067	0.6
91.05460	0.5
93.07062	0.3
94.04208	2.0
95.08606	0.4
97.06522	0.5
99.09077	0.3
105.07018	0.3
107.08603	0.6
109.10233	0.5
114.09177	0.5
122.03664	5.4
126.09113	0.3
133.10152	1.2
135.11697	0.8
137.05988	100.0
151.11218	0.6
153.12766	1.2
170.15430	2.5
182.15443	4.1
306.20724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.3
55.01863	0.5
55.05515	6.6
56.05048	0.2
57.07073	0.8
65.03933	0.3
67.05508	8.5
69.03414	0.1
69.07071	7.2
69.87378	0.3
69.87769	0.2
70.06602	0.3
71.08628	0.3
72.04515	0.3
79.05070	0.2
79.05498	2.2
79.97579	0.1
81.07059	7.2
82.06590	0.3
82.07368	0.2
83.04974	0.3
83.08152	0.2
83.08623	2.3
84.08141	0.2
85.04813	0.2
85.05289	2.2
86.06068	0.9
88.07621	0.1
88.26071	0.1
91.05479	0.8
93.07048	1.8
94.06580	0.1
95.04978	0.2
95.08613	4.6
96.08125	0.4
96.08956	0.2
97.06523	0.3
97.10176	0.9
97.30727	0.1
98.06059	13.7
98.09669	0.1
99.06858	0.2
105.07039	0.6
107.08588	0.8
108.08107	0.2
109.06507	0.2
109.10172	1.8
110.09671	0.5
110.10441	0.2
111.08096	0.1
112.07613	1.8
119.08586	0.4
120.08131	0.1
121.10149	0.8
121.22387	0.1
122.09690	0.2
122.10509	0.2
123.11721	0.6
124.07596	0.3
124.11230	0.2
124.12048	0.2
125.08404	0.3
126.09138	0.4
133.10130	0.4
134.09621	0.2
135.11700	0.4
137.05983	2.8
137.13171	0.1
138.09167	0.4
140.10730	0.6
145.10139	0.1
147.11656	0.2
149.13307	0.2
152.10721	0.3
154.12300	0.7
159.11722	0.1
161.13284	0.2
165.12807	0.1
166.12282	0.4
168.13852	0.6
174.13483	0.1
180.13777	0.2
182.15428	0.4
186.13522	0.1
187.14795	0.1
194.15416	0.3
196.16948	0.7
208.16977	0.8
210.18533	0.2
222.18581	0.7
224.20151	0.3
236.20073	0.5
238.21677	0.1
250.21692	0.2
260.20886	0.2
288.24042	0.2
306.27924	100.0
307.28198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
68.24876	2.8
70.32468	5.9
70.32855	5.3
72.09184	2.6
82.99834	3.0
84.04470	5.3
85.02878	7.4
94.92970	2.7
97.02856	3.3
101.00858	15.2
102.84198	2.6
105.23989	2.7
113.00907	4.5
113.03490	8.2
115.02414	5.0
117.46401	2.6
119.01909	15.0
119.44848	2.4
127.03902	2.5
131.01926	7.2
133.03433	10.1
137.01988	2.6
143.01889	10.5
145.03497	4.6
155.01895	6.9
157.03513	6.4
161.03009	14.6
173.02969	6.6
175.04503	5.3
187.00932	5.5
191.04108	2.9
201.06145	4.4
202.89111	8.3
215.00455	6.0
215.03444	4.8
229.01942	5.9
247.02960	7.7
265.07721	4.8
289.04022	3.6
301.14642	2.9
307.05170	4.5
307.07910	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86955	14.0
94.93000	6.8
197.90358	3.7
202.89142	44.1
247.22910	3.6
307.04419	9.3
307.07791	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98991	0.7
53.03949	6.0
54.47853	0.7
55.01870	1.0
55.05514	1.1
57.03431	4.7
58.19841	0.7
61.02917	3.2
65.14968	0.7
66.35169	0.7
69.03432	24.7
70.97097	0.8
70.97403	0.9
71.01353	0.9
71.04997	7.5
73.02899	3.3
74.26962	0.7
81.03417	22.5
81.07042	0.7
84.51801	0.7
85.02905	84.6
86.09677	0.9
87.04488	1.3
91.03963	1.4
97.02893	21.7
99.04458	46.5
101.02433	0.9
103.03944	80.8
104.01719	0.7
109.02888	23.1
115.03942	1.1
127.03919	100.0
130.06516	0.8
145.04962	30.9
146.11494	0.7
157.07593	1.3
158.05939	0.8
163.06039	6.8
183.30661	0.8
187.06006	15.9
194.02051	0.7
205.07098	8.2
226.97235	0.8
244.28275	0.8
271.08148	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98664	0.6
51.11834	0.6
53.03946	5.9
54.09249	0.7
55.01855	2.5
56.64745	0.6
57.03441	3.5
61.02934	3.8
63.78710	0.6
69.03430	27.0
69.18385	0.6
70.68720	1.6
71.04996	7.0
73.02917	3.8
74.82207	0.7
81.03422	25.2
83.01383	0.7
84.70709	0.7
85.02908	80.0
87.04477	0.9
91.03954	1.0
94.50906	0.6
97.02896	24.3
99.04456	40.5
103.03945	81.2
109.02885	21.3
127.03922	100.0
130.95491	0.7
139.03958	1.0
145.04965	32.4
163.06020	5.4
169.04990	0.9
183.28154	0.6
187.06015	16.1
205.07098	9.1
236.92415	0.6
253.06966	1.4
271.07990	3.4
286.15283	0.8
307.10165	1.0
326.81723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.01865	1.1
55.05510	0.9
57.03436	4.4
57.03673	0.7
58.97569	0.6
59.80142	0.7
61.02913	2.5
61.96526	0.8
69.03429	27.8
70.10110	2.4
71.04996	7.2
73.02904	3.7
80.51077	0.7
81.03419	27.7
81.07039	0.9
83.04980	0.9
85.02906	81.6
87.04455	0.7
91.03967	0.8
97.02892	23.1
97.39256	0.7
99.04456	42.3
101.02404	1.1
103.03943	80.9
109.02882	20.8
115.03938	1.1
127.03916	100.0
130.06540	1.9
145.04958	31.5
157.07643	2.6
158.06003	2.0
163.06042	5.7
175.08719	1.0
187.06015	15.5
205.07094	10.4
253.07161	1.3
253.93402	0.8
261.08719	1.2
271.08115	2.7
303.89267	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.0
55.01866	1.8
55.05519	1.3
56.57149	0.7
57.03435	5.0
61.02937	3.8
69.03430	27.5
69.45470	0.7
70.76381	1.6
71.01350	1.1
71.04984	6.2
73.02912	3.8
81.03419	25.1
81.07039	1.0
83.04973	1.0
85.02907	82.2
87.04481	1.0
88.27744	0.8
91.03963	1.0
97.02301	1.6
97.02895	23.6
99.04458	48.3
103.03944	76.9
109.02135	1.3
109.02876	21.1
119.08620	0.9
127.03920	100.0
130.06519	7.9
132.04480	1.4
137.05980	2.3
138.06296	1.1
139.03899	1.0
145.04964	33.0
146.05988	0.8
157.07611	6.9
158.05998	7.8
163.03906	0.7
163.06033	4.9
175.08678	2.8
187.06027	13.6
205.07088	7.4
253.07141	0.9
261.08716	3.8
271.08063	2.9
289.08633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01864	2.3
57.03439	5.4
61.02911	3.3
67.05505	0.9
69.03429	30.1
70.80463	1.7
71.01364	0.7
71.04998	6.5
73.02912	4.7
81.03416	27.7
81.07037	1.6
83.04990	0.9
85.02906	77.9
91.03944	1.1
91.05471	0.9
97.02895	26.1
99.04456	45.2
103.03943	75.4
107.69917	0.7
109.02878	23.4
115.03957	0.9
124.07592	3.2
127.03918	100.0
136.07578	2.4
138.09151	1.5
139.03880	1.1
145.04959	27.4
152.07053	1.1
158.05872	0.8
163.05998	4.0
164.07034	5.0
174.38983	0.7
182.08060	1.4
187.06017	20.1
196.04617	0.9
205.07072	10.2
253.07108	1.4
271.08105	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	307.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.0
55.01873	5.7
55.05515	12.9
56.26959	1.3
56.96564	1.5
57.03439	7.0
59.05009	1.7
61.02917	3.8
67.05507	11.5
69.03085	2.3
69.03435	29.6
69.07076	6.3
70.06567	2.1
70.75368	2.4
70.75678	1.4
71.04985	13.5
71.14548	1.3
73.02921	4.9
77.62271	1.4
79.05498	17.7
81.02988	2.4
81.03426	28.3
81.07059	17.1
83.04993	9.9
83.08628	4.5
84.04495	1.5
85.02911	82.1
85.06548	3.2
87.04471	12.7
91.05482	12.5
93.07049	14.3
95.04990	6.2
95.08616	8.3
95.88170	1.4
97.02906	26.2
97.06528	8.7
97.10199	1.6
98.97597	1.5
99.04463	47.1
99.08109	2.6
101.06022	17.5
103.03948	74.2
105.07041	14.8
107.04953	2.9
107.08591	5.4
109.02888	22.9
109.06536	5.4
109.10148	3.1
111.04455	11.6
111.08078	2.6
113.06002	3.4
115.03951	7.1
117.05455	3.5
117.07042	3.6
119.08598	8.3
120.08093	1.9
121.06509	5.2
121.10162	14.9
123.04443	1.9
123.08099	15.0
124.07613	1.9
125.06019	3.0
125.09648	9.4
127.03925	100.0
127.07571	3.1
128.04166	1.2
129.05479	13.5
129.06976	7.8
131.08556	4.7
133.06487	5.8
133.10139	5.4
135.08089	4.9
137.05997	14.6
139.03954	2.1
139.07549	3.0
143.08572	3.8
145.04971	33.0
145.06238	2.0
145.06490	1.5
145.10124	3.4
147.06526	3.7
147.08078	2.7
147.11705	10.9
149.09738	1.3
151.07623	6.7
151.08742	1.5
155.07045	7.2
157.10173	7.7
161.13219	3.9
163.06047	7.6
163.07462	1.5
171.08044	1.6
171.11682	21.9
173.09673	3.0
173.13217	3.4
175.11194	17.4
181.10159	2.6
187.06017	15.7
189.12762	20.3
193.12257	15.6
199.11203	10.0
201.06644	2.9
205.07013	8.8
207.13852	9.4
211.13252	2.0
217.12253	44.3
219.07623	3.3
235.13301	50.9
253.14374	47.2
261.12250	2.1
271.08020	2.0
271.15405	10.4
289.08997	1.9
289.11887	15.0
307.09787	1.6
307.12903	18.2
307.15820	2.1
307.18893	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	307.1753
Annotation	Creoside II
Peak:m/z	Relative Intensity
53.03948	7.9
55.01865	7.0
55.05519	11.8
56.96561	2.3
57.03436	7.1
59.05001	1.9
61.02906	2.2
65.87410	1.2
67.05507	14.3
69.03083	2.5
69.03433	29.9
69.07053	6.6
69.98191	1.3
70.06570	1.6
71.05007	12.1
71.51321	1.7
72.08160	1.8
73.02911	6.2
73.72971	1.5
79.05505	13.7
81.02987	2.6
81.03427	25.6
81.07063	21.5
83.04987	13.3
83.08620	2.8
84.04532	1.6
85.02914	84.9
85.06537	2.2
86.09705	3.1
87.04482	12.4
88.45238	1.5
91.05496	12.0
93.07064	15.8
95.04967	7.1
95.08627	9.0
97.02905	26.6
97.06526	10.7
97.10178	1.9
99.03859	3.1
99.04464	45.8
101.06031	19.2
103.03953	81.3
105.07043	19.2
107.04972	3.7
107.08618	7.5
109.02893	23.1
109.06512	6.0
109.10100	2.5
110.06061	3.7
111.04456	13.2
111.08079	2.7
113.06009	3.6
115.03920	8.2
117.05496	3.9
117.07043	3.5
119.04961	1.7
119.08571	6.4
121.06493	6.4
121.10149	15.8
123.04394	1.9
123.08073	15.6
124.07555	2.2
125.05956	2.9
125.09633	9.9
127.03931	100.0
127.07565	4.7
129.05482	13.7
129.07002	9.9
131.08565	5.0
133.06487	6.8
133.10130	6.7
135.08092	3.8
137.05984	14.5
139.03847	1.7
139.07584	2.6
139.11162	2.4
143.08559	5.7
145.04976	32.1
145.08592	2.3
145.10130	4.6
147.06490	3.0
147.08047	3.8
147.11697	10.6
151.07553	6.5
155.07031	7.7
155.08493	2.2
157.06468	1.9
157.08850	2.3
157.10086	10.3
158.76413	1.6
161.09587	3.2
161.13246	2.8
163.03949	1.7
163.06044	5.8
171.11693	22.2
173.07190	2.5
173.09616	4.6
173.13252	3.8
175.11183	15.7
180.13980	2.7
181.10147	2.3
187.06087	14.0
189.12753	25.6
193.12283	13.7
199.11182	9.7
201.06560	4.3
205.07089	9.6
207.13860	12.1
215.08388	1.5
215.11897	2.5
217.12245	38.8
219.07784	4.5
232.55324	1.7
235.13319	56.2
243.10931	1.5
253.14362	46.4
261.12308	3.0
271.08063	3.4
271.15417	10.4
289.08987	3.0
289.11835	19.5
290.09744	1.6
307.12796	20.4
307.15781	2.7
307.19458	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06737	4.0
53.03932	7.4
55.01864	16.2
55.05516	35.5
57.03440	82.8
57.07047	5.1
65.03930	5.3
67.05517	42.1
69.07060	14.5
71.25455	8.5
76.65400	4.0
79.05084	4.1
79.05499	48.1
79.05933	7.3
81.07066	51.0
83.04980	71.6
83.08606	10.9
85.06533	8.5
91.05474	47.6
93.06485	6.1
93.07040	47.5
95.04959	15.7
95.08610	36.8
97.06509	9.5
97.10220	7.4
99.04425	6.8
105.07037	33.9
107.04953	92.1
107.08606	25.4
109.06518	32.0
109.10152	9.5
111.04448	43.7
113.06032	4.6
117.06987	16.9
119.08607	29.1
121.06484	15.1
121.10114	13.6
123.08038	10.4
125.06010	6.6
125.09618	6.8
129.06969	15.4
131.08553	27.4
133.06465	17.6
133.10123	16.2
135.08040	26.8
135.11708	9.8
137.05986	34.5
137.09625	6.5
138.06271	21.1
141.06996	5.4
143.08563	11.8
145.06418	7.6
145.10109	16.6
147.08092	19.8
147.11621	5.4
149.05951	10.9
149.09612	15.8
149.13322	4.9
151.07523	7.0
159.08101	25.5
159.11700	14.2
161.09596	13.7
163.07535	10.3
163.11168	8.2
163.14667	5.2
165.09113	7.0
165.12753	11.2
166.13051	10.2
167.08549	4.8
169.10098	7.2
171.11690	8.8
173.09679	8.5
173.13322	8.1
175.11133	6.4
177.09134	6.5
177.12769	23.3
178.13516	5.5
179.14227	4.3
187.14758	4.8
189.12823	6.3
197.13293	5.6
205.12363	4.4
205.15871	16.0
215.14287	13.8
225.00977	4.0
225.16405	7.1
233.15361	46.3
243.17441	12.0
253.15956	9.4
261.18497	36.0
271.16974	32.7
275.20160	8.6
283.62134	4.5
289.14999	7.7
289.18005	100.0
289.21304	8.7
290.21823	9.2
307.15683	6.6
307.19028	6.6
307.24457	15.0
324.44781	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01870	6.8
55.05516	30.6
57.03442	27.9
67.05514	26.7
69.03419	3.0
69.07072	10.1
70.77456	1.6
70.77835	5.8
71.04979	1.9
71.23317	1.6
79.05072	2.6
79.05498	30.5
81.03422	4.3
81.07056	22.1
83.04966	5.5
83.08613	13.8
85.06535	3.0
91.05486	19.0
93.07054	18.1
95.04956	8.6
95.08630	9.1
97.06520	3.5
97.10184	18.2
103.05463	3.3
105.04518	2.1
105.07020	14.1
107.04964	17.5
107.08601	15.8
109.06532	13.7
109.10159	10.7
117.07022	9.2
119.08587	15.8
119.39814	2.1
121.06516	14.2
121.10144	6.2
123.08079	4.4
123.11726	4.7
125.09637	15.6
129.06998	2.7
131.04944	2.2
131.08569	9.3
133.06516	2.9
133.10159	5.2
135.08072	15.7
137.09618	5.2
143.08571	2.8
145.06497	5.1
145.10184	4.5
147.08046	9.9
147.11725	3.9
149.05995	13.0
153.09195	5.2
154.79013	1.8
157.10143	5.1
159.08067	35.4
160.08809	5.3
161.09610	3.6
163.07549	6.2
165.09175	3.5
171.10127	3.4
171.11653	2.2
173.09601	3.3
177.09163	3.4
185.09592	3.7
187.14793	4.5
189.11249	8.7
189.12737	2.7
199.14789	2.1
215.14391	7.9
225.16406	2.6
233.15402	15.2
234.67947	2.1
235.13313	4.5
243.17542	5.7
253.15891	6.6
261.18445	3.9
271.17001	26.2
285.03592	1.9
285.38696	1.9
289.17990	100.0
307.19189	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	307.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01873	7.0
55.05522	7.3
57.03441	18.5
57.07074	1.2
59.04972	1.2
65.03944	1.9
67.05508	13.5
67.10704	1.2
69.03429	3.2
69.07053	4.5
69.81173	4.9
71.04993	4.5
72.80258	1.1
73.99857	1.0
79.05491	11.4
80.07476	1.0
81.03418	35.6
81.07052	13.5
83.04987	2.1
83.08618	4.9
85.02917	3.8
85.06549	5.9
86.08819	1.0
91.05486	17.2
93.07048	13.5
95.04976	25.4
95.08612	11.3
97.02885	1.5
97.06507	2.4
97.10181	3.8
98.21497	1.7
99.04470	2.9
103.03943	2.8
103.05484	1.7
105.04446	1.1
105.07047	8.0
107.04962	100.0
107.08607	6.9
109.02855	1.1
109.06530	17.9
109.10159	5.0
111.04465	1.1
111.08087	2.2
113.06024	16.7
117.07053	6.9
118.76196	1.0
119.08579	7.7
121.06509	27.8
121.10147	2.0
123.08102	5.2
123.11709	1.0
125.09679	2.0
127.03908	5.0
128.06267	1.5
129.07051	5.9
131.08545	5.2
133.06520	6.3
133.10120	5.9
135.08067	25.7
135.11664	1.7
137.09604	3.0
142.07770	1.8
143.08600	4.3
145.06425	1.9
145.10129	3.8
147.08081	5.2
147.11710	3.1
149.05972	2.6
149.09639	1.9
151.07507	1.8
153.09109	3.0
155.08447	1.2
157.10159	4.2
159.08112	5.8
161.09651	3.0
163.07545	1.7
165.09123	37.0
171.11760	6.9
173.09642	4.0
175.11206	11.7
177.09077	1.7
183.11670	2.4
189.12770	4.8
191.10710	7.3
199.11212	7.6
203.10730	1.0
205.12189	1.9
215.14368	3.0
217.12199	11.6
219.13548	1.4
225.16301	1.2
233.15408	10.7
235.13286	54.0
243.17491	2.6
253.15883	2.1
261.18542	3.3
271.16946	7.7
289.17984	33.8
307.19031	8.5
307.22443	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03946	7.5
53.39645	4.0
55.01867	14.0
55.05309	3.7
55.05515	40.6
57.03440	99.7
64.84167	4.2
67.05511	50.8
69.07069	20.5
69.90312	10.3
69.90714	6.4
71.04996	5.5
79.05490	43.9
81.03403	5.3
81.07061	47.8
83.04991	74.7
83.08604	10.6
85.06546	8.0
91.05492	50.9
93.07051	44.0
95.04977	17.6
95.08616	38.5
96.35092	3.8
97.06548	6.6
97.10185	7.4
98.20766	4.4
99.04467	6.8
105.07043	41.9
106.65600	3.9
107.04231	4.6
107.04965	72.6
107.05704	2.6
107.08611	30.3
108.05763	5.2
109.06533	32.7
109.10176	17.6
111.04459	54.8
111.08087	5.3
113.06063	5.1
115.05444	5.6
117.07051	26.8
119.08585	28.9
121.06531	14.9
121.10184	12.7
123.08090	8.1
125.06017	5.7
125.09687	5.4
129.07002	12.5
131.08600	24.7
133.06506	17.0
133.10150	21.4
135.08064	18.4
135.11673	8.1
137.05980	24.9
137.09634	12.6
138.06317	17.9
141.06990	6.2
143.08562	11.1
145.06506	15.6
145.10133	12.3
147.08081	15.5
147.11678	9.9
148.83398	4.1
149.06006	15.1
149.09679	11.3
151.07469	5.4
155.08600	8.2
157.10101	13.5
159.08064	15.4
159.11678	9.5
159.59744	4.3
161.09598	10.0
161.13316	4.1
163.07536	9.4
163.11160	15.0
165.09145	4.3
165.12737	9.6
166.13124	9.3
169.10117	9.3
171.11641	11.3
173.09650	8.1
173.13220	9.9
175.11174	4.6
177.09145	8.3
177.12712	21.7
178.13414	4.8
179.06996	4.5
183.11720	9.7
187.11198	4.9
187.14856	6.5
189.09163	4.4
189.12825	9.8
197.13345	6.3
201.09140	4.2
205.15926	17.2
215.14284	12.0
225.16504	7.3
231.17513	6.4
233.15367	52.3
243.17412	16.7
253.15804	6.4
261.18527	34.3
271.16901	36.7
275.20007	11.1
289.17990	100.0
289.21359	7.4
290.21936	12.9
305.56158	3.6
307.19049	7.2
307.24896	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
55.01863	6.1
55.05519	18.3
57.03426	4.4
57.07064	2.0
57.22183	1.4
65.03957	1.5
67.05193	1.5
67.05514	27.2
67.77776	1.6
69.03398	2.9
69.07076	38.1
71.04971	2.9
73.06537	1.6
79.05496	54.6
81.03409	6.4
81.07065	36.2
83.04978	6.2
83.08642	7.9
85.06567	2.3
87.04476	1.9
87.77695	1.4
91.05492	25.6
93.07051	50.1
93.07639	2.6
95.04959	9.5
95.08621	29.9
97.06526	5.9
97.10174	5.8
97.43661	1.4
98.21510	3.6
99.04423	1.8
99.08079	2.1
105.07047	31.5
105.89034	1.6
107.04967	51.7
107.08611	28.2
109.06522	7.3
109.10168	6.9
111.11677	1.8
117.06998	6.7
119.08595	23.8
121.06525	2.8
121.10143	25.6
123.04459	1.6
123.08064	2.2
123.11712	3.4
125.09702	1.6
131.08572	12.7
133.10144	20.4
135.08066	37.3
135.11705	5.3
137.06010	3.6
137.09599	5.9
139.11201	20.4
145.06500	1.6
145.10115	10.5
147.11707	10.4
149.09619	12.1
151.11217	1.9
157.10162	4.2
159.11691	3.9
161.13210	2.8
163.11209	4.2
167.10745	2.4
171.13800	3.3
173.13300	3.4
183.13875	2.2
187.11174	1.4
187.13303	1.9
191.14278	2.3
197.13347	2.3
201.12671	1.4
207.13760	2.0
215.68793	1.4
217.14363	24.3
219.13812	2.0
229.19667	2.1
239.17989	2.7
247.20561	5.8
257.19077	7.2
259.32626	1.6
275.20084	100.0
278.60983	1.8
305.17557	1.5
307.22836	12.9
307.28348	2.7
307.61206	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.44919	1.1
53.03941	2.1
53.91965	1.1
55.01873	11.2
55.05275	2.1
55.05516	25.5
57.03422	4.2
57.07071	3.9
65.03953	1.3
67.05510	30.3
69.03432	2.4
69.07072	19.7
70.65527	3.7
71.04985	3.8
77.55081	1.0
79.05495	30.3
80.15289	1.1
81.03422	2.7
81.07062	39.3
82.07399	1.3
83.04966	4.7
83.08614	12.3
85.06557	1.7
91.05486	22.0
93.07044	29.0
95.04979	13.8
95.08606	25.5
97.06544	16.7
97.10172	12.8
98.06055	3.7
99.08081	1.9
105.07039	27.5
105.51910	1.3
107.04971	5.9
107.08600	42.1
109.06528	58.8
109.10151	12.9
111.08093	5.2
117.07031	8.7
119.08590	21.6
121.06492	5.3
121.10154	14.0
123.08060	7.9
123.11732	4.1
125.09609	9.7
129.07007	2.5
131.08574	12.8
133.10132	17.9
135.08078	7.6
135.11720	6.7
137.05977	3.0
137.09624	8.9
138.06392	1.5
139.11180	2.7
143.08568	2.7
145.10124	11.3
147.08032	2.2
147.11708	8.3
149.09641	12.2
149.13266	3.1
151.11191	3.3
153.09055	1.6
153.12701	1.9
155.08514	1.4
157.10181	2.1
159.11647	7.3
161.13249	4.5
163.11101	5.9
165.09200	1.5
165.12769	19.8
171.11671	1.8
173.13249	6.4
175.11188	2.2
177.12758	2.7
179.14259	1.5
181.12219	1.5
183.11710	1.3
185.13222	2.2
187.11189	1.3
187.14828	1.8
189.12781	1.7
191.14291	2.5
197.13326	1.7
201.12846	1.6
203.12773	10.4
206.85602	1.0
215.14362	2.0
218.41412	1.5
219.17464	2.7
229.19543	3.8
229.24756	1.6
233.15334	2.5
235.17073	1.5
239.18007	4.0
247.20598	3.5
251.16438	13.4
257.18893	9.9
275.20087	56.8
289.18442	2.0
289.21652	15.3
307.22708	100.0
307.28159	36.4
308.22968	1.6
309.88843	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03949	2.2
55.01874	6.3
55.05277	1.5
55.05518	18.8
56.89120	1.2
57.03439	1.3
57.07079	3.8
59.05011	1.4
59.44481	1.4
59.94047	1.5
67.05181	2.8
67.05510	34.3
69.03419	1.9
69.06731	2.0
69.07076	22.1
69.67984	2.6
69.68391	6.2
71.08633	1.7
79.05501	23.3
81.03434	7.0
81.07063	36.2
81.19489	1.5
83.04987	8.3
83.08618	7.5
85.06536	5.1
91.05490	20.5
93.07044	29.3
95.04977	14.4
95.08618	26.4
97.06532	3.8
97.10171	5.1
99.08166	1.5
105.07039	25.3
107.04980	7.0
107.08608	21.2
109.06513	11.2
109.10164	12.3
111.08093	1.9
117.07015	8.5
119.08592	17.6
121.06519	14.0
121.10142	13.8
123.08073	9.9
123.11700	5.4
125.09664	4.0
127.63567	1.4
129.07016	2.9
131.08592	17.2
133.06517	4.0
133.10143	19.3
135.08093	5.8
135.11737	6.6
137.06004	4.4
137.09622	10.7
138.06357	3.1
143.08543	2.5
145.10104	11.6
147.08064	4.2
147.11703	11.5
149.09579	9.9
149.13255	3.9
151.11214	9.8
151.59381	1.3
155.08583	1.9
157.10178	3.0
159.08040	2.6
159.11717	10.0
159.49667	1.5
161.09692	1.6
161.13275	4.8
163.11156	8.1
163.14859	4.9
165.09187	3.0
165.12875	1.7
169.10123	2.1
171.11681	2.2
173.13321	5.2
175.11221	2.7
175.95366	1.6
177.12747	3.5
183.11795	2.7
185.13329	1.9
187.11235	1.8
187.14816	2.2
191.14381	3.1
197.13382	2.2
201.12767	3.5
204.67924	1.7
207.13882	4.8
215.18007	2.6
219.13870	3.9
229.19475	3.9
239.17989	3.6
247.20596	5.7
257.19052	12.4
275.20084	100.0
276.20636	2.2
289.21619	5.6
289.24960	2.0
307.22723	94.6
309.75708	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
53.03941	2.2
54.51165	0.5
55.01875	3.3
55.05511	8.6
57.07069	0.7
59.04989	0.5
65.03924	0.7
67.05508	13.4
68.45213	0.5
69.03448	0.5
69.07071	8.8
71.05000	0.8
71.08650	1.3
79.05496	9.5
81.03421	4.2
81.06593	0.9
81.07056	17.1
83.04981	2.1
83.08641	3.4
85.06535	1.6
91.05484	8.8
93.07050	9.5
95.04976	6.1
95.08611	11.2
97.06539	6.0
97.10168	1.7
98.20782	1.7
99.08082	0.7
105.07037	9.1
107.04958	6.3
107.08592	6.2
108.05733	1.7
109.06532	4.0
109.10175	3.5
111.08084	1.5
117.07027	3.4
119.08588	4.9
121.06503	6.0
121.10161	3.0
123.08087	2.6
123.11694	1.4
125.09632	2.3
129.07002	1.1
131.08585	4.2
133.10127	6.2
135.08051	1.8
135.11668	3.1
137.05975	1.4
137.09604	0.8
138.06325	1.4
143.08583	0.7
145.06505	1.1
145.10149	3.0
147.08055	0.8
147.11742	2.4
149.09676	2.5
149.13271	1.4
151.11203	2.8
155.10660	0.7
157.10161	0.7
159.11728	3.3
161.13301	0.7
163.11220	1.1
163.14821	1.4
164.11992	2.4
165.12749	1.8
169.10135	0.9
171.11667	0.7
173.13271	1.1
175.11313	1.1
175.14819	0.6
177.12767	4.1
179.14264	0.9
183.11710	0.7
187.11224	1.3
199.14828	0.9
203.12819	0.7
209.15498	1.0
216.97505	0.5
217.15985	0.9
219.37903	0.6
229.12646	0.7
238.43159	0.5
239.17729	0.7
241.46642	0.5
257.19003	1.5
275.20087	12.6
296.47565	0.5
307.22696	100.0
308.22974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03944	4.0
55.01862	5.0
55.05511	14.3
57.03430	2.6
57.07060	1.2
59.04988	1.6
65.03941	2.8
67.05508	22.1
69.07070	10.7
69.83386	1.0
71.04995	3.0
71.54300	1.8
77.48022	1.0
79.05495	32.8
81.03403	4.8
81.07059	100.0
83.04985	2.5
83.08613	7.2
85.06556	1.9
85.62532	1.2
91.05479	16.3
93.07050	16.2
95.04976	7.9
95.08611	13.6
97.06551	6.5
97.10156	2.8
105.07038	15.9
107.04944	5.5
107.08611	12.2
109.06519	50.2
109.07268	2.6
109.10153	8.4
111.08092	3.0
117.07022	5.2
119.08590	13.9
121.06483	3.9
121.10149	10.3
123.08076	6.8
123.11705	2.6
125.09688	2.2
129.07037	2.1
131.08580	9.2
133.10135	12.3
135.08081	2.9
135.11714	5.7
137.05966	5.1
137.09645	3.2
138.06316	3.1
143.08482	2.7
145.10150	7.5
147.08139	1.4
147.11690	14.0
149.09654	5.6
149.13275	8.4
151.07529	1.4
151.11176	2.8
157.10103	3.7
158.44427	1.3
159.08138	1.3
159.11708	7.2
161.09552	1.4
161.13277	1.7
163.11230	6.2
163.14809	3.7
165.12779	6.5
171.11685	2.1
173.09647	2.4
173.13266	3.4
175.11214	3.1
175.14835	1.4
177.12714	2.6
183.11711	1.7
185.13272	1.3
187.14894	1.2
188.93350	1.2
193.12248	3.4
229.19455	3.7
239.17996	2.2
247.20540	4.6
257.19049	5.5
269.03543	1.3
275.20090	56.1
289.21686	1.5
307.22791	23.1
308.29355	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	307.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.9
55.01878	24.6
55.05515	42.1
57.03436	15.9
57.07061	2.3
65.03931	4.0
67.05510	62.2
69.03439	8.5
69.07072	28.3
69.84734	7.6
71.04997	8.5
73.06585	2.8
74.32325	1.4
79.05498	62.5
81.03427	14.2
81.07061	74.5
83.04985	28.1
83.08627	27.6
85.06544	5.6
87.40070	1.4
91.05485	47.6
93.07052	54.8
95.04981	25.2
95.08613	40.8
97.06535	28.8
97.10173	27.3
99.04438	2.5
99.08133	1.3
103.05495	1.9
105.07039	46.2
107.04962	31.1
107.08603	68.3
109.02896	1.4
109.06520	29.5
109.10162	21.5
111.04449	13.2
111.08099	10.7
111.11717	1.6
113.05986	8.2
116.13703	1.3
117.07031	17.2
119.04957	1.7
119.08590	33.3
121.02856	4.7
121.06518	19.2
121.10143	24.2
123.04472	3.8
123.08073	13.8
123.11713	6.3
125.06017	3.6
125.09646	21.3
129.07022	4.5
130.07761	1.8
131.04935	1.7
131.08589	25.2
133.06517	5.0
133.10136	31.0
135.08072	19.9
135.11690	12.5
137.09653	11.5
137.13261	2.1
139.07513	2.8
139.11215	2.6
141.07013	3.1
143.08560	4.2
145.06525	5.4
145.10121	23.4
147.08057	5.6
147.11694	16.9
149.05942	3.2
149.09641	21.3
149.13264	8.3
151.07562	4.5
151.11192	5.5
153.09119	4.2
153.12741	1.9
155.08559	4.5
155.10616	2.2
157.10127	8.3
159.08113	9.1
159.11690	15.8
161.09637	3.8
161.13287	7.6
163.07555	12.7
163.11198	18.1
163.14844	2.6
165.09117	7.0
165.12769	5.2
167.10800	1.6
169.10133	5.2
171.10339	1.9
171.11713	5.6
173.09616	6.8
173.13190	10.1
175.11221	4.1
177.09161	4.4
177.12762	10.0
179.10670	2.1
179.14369	3.2
181.12253	2.0
183.11729	3.1
187.11230	6.7
187.14857	4.2
189.11253	3.5
189.12802	4.0
189.16409	2.6
191.10722	2.8
191.14410	3.9
193.12260	4.0
197.13293	2.6
201.12787	3.4
203.12741	13.4
203.14357	1.9
205.12326	2.4
205.15932	3.4
215.14368	3.0
215.17967	3.3
219.13850	8.6
223.13300	3.6
229.19545	5.6
233.15347	11.3
233.19147	1.9
237.14838	3.1
239.17963	11.1
241.14447	4.8
243.17432	3.5
247.20531	9.5
251.16469	2.5
253.15860	3.6
257.19055	18.9
261.18488	11.7
271.16931	9.5
275.20081	100.0
289.18005	57.2
289.21570	12.3
302.09201	1.6
307.09433	2.0
307.19058	27.5
307.22708	40.1
307.26370	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Litseakolide B
Peak:m/z	Relative Intensity
53.03934	2.4
55.01867	1.6
55.05512	6.7
57.03422	2.2
57.07064	0.7
59.05004	0.7
60.71870	0.5
61.02927	1.0
64.09541	0.5
65.03932	0.8
65.71040	0.6
67.05181	0.7
67.05508	8.9
69.03085	0.7
69.03431	8.8
69.07071	3.2
69.76100	0.4
71.04982	2.2
71.52219	0.9
73.02904	0.9
73.53304	0.6
79.05496	10.2
81.03426	8.1
81.07060	14.0
83.01285	0.7
83.04956	1.4
83.08623	3.6
85.02910	21.1
85.06532	0.9
87.08067	0.9
89.91463	0.7
91.05475	7.2
93.07043	8.5
95.04951	1.5
95.08611	14.0
97.02891	8.2
97.06509	2.8
97.10181	4.2
98.97601	0.7
99.03850	0.8
99.04453	11.7
99.08060	0.7
103.03948	17.2
105.07033	8.4
107.04965	1.5
107.08598	14.7
109.02885	8.2
109.06511	1.8
109.10162	12.3
111.04453	0.6
111.08083	3.0
115.05385	0.9
117.07006	3.3
119.08591	10.8
121.06493	2.8
121.09315	0.9
121.10142	9.0
123.04417	0.6
123.08080	3.6
123.11704	1.7
125.09645	5.4
127.03921	23.2
129.06995	1.6
131.08582	6.3
133.06467	0.9
133.10135	5.8
135.08072	7.6
135.11684	2.1
137.05954	0.7
137.09621	2.9
139.11177	1.0
141.06972	0.8
142.07756	0.7
143.08571	3.4
145.04958	8.6
145.06526	0.8
145.10126	8.4
147.08006	2.3
147.11679	4.2
149.09625	3.4
149.13232	1.0
151.07498	1.2
151.11197	1.2
153.09122	1.5
154.07750	0.6
155.08572	3.0
157.10129	4.3
158.06041	0.7
159.07993	2.6
159.11690	5.5
161.09605	2.4
161.13246	3.0
163.06053	1.1
163.07477	1.7
163.11208	1.9
165.09047	0.6
167.10684	0.6
168.09338	0.6
169.10159	2.9
171.11708	3.7
173.09653	2.9
173.13249	3.8
175.11186	2.4
175.14838	1.7
177.09109	1.0
177.12688	1.2
179.10692	0.7
181.10040	0.6
181.12210	0.7
183.11642	3.6
184.12433	0.8
185.13223	3.8
187.06015	4.6
187.11145	1.9
187.14819	2.3
189.09154	0.8
189.11227	1.9
189.12811	1.9
191.10561	0.6
191.14336	0.6
193.12239	1.4
195.11748	0.7
197.13255	3.6
199.14842	0.7
201.12746	1.4
201.16400	0.8
203.14365	1.2
205.07079	2.3
211.14789	3.8
213.16394	6.9
215.14336	2.5
215.17879	0.9
219.13852	1.2
223.14897	0.8
225.16365	3.4
227.17975	1.0
229.15866	1.0
231.17479	1.3
233.15356	2.4
241.15947	0.7
243.17464	4.8
243.21144	2.0
253.15857	1.3
253.19545	4.0
259.16769	0.6
261.18561	1.7
271.16925	6.3
271.20520	5.9
277.17978	1.4
289.09048	0.7
289.15549	0.6
289.17987	13.0
289.21576	5.8
307.19150	9.4
307.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03954	0.7
54.28635	0.6
55.01868	1.9
55.05266	1.2
55.05515	11.9
56.05844	0.9
57.03440	4.3
57.07078	3.8
67.05510	15.5
68.05842	2.1
69.03449	1.2
69.07077	10.3
70.07378	1.2
70.14977	1.9
70.15347	1.1
71.05003	1.6
71.08642	3.8
79.05499	11.5
80.05844	0.9
81.03434	0.8
81.07063	17.3
82.07395	2.4
83.04995	2.3
83.08622	6.5
84.08942	0.7
85.05301	1.5
85.06554	3.1
87.40081	0.5
91.05491	8.6
93.07050	13.6
95.04982	9.2
95.08038	0.5
95.08613	12.4
95.34460	0.5
96.08928	1.4
97.06546	2.6
97.10186	2.5
98.06058	9.8
98.06666	0.6
99.06413	2.6
99.08071	3.3
105.07036	11.3
105.07690	1.0
107.04983	1.3
107.08595	11.0
109.06519	23.7
109.10172	2.9
111.08064	1.4
112.07645	1.1
113.07997	0.8
113.18481	0.6
117.07056	2.4
119.08594	9.1
121.06519	3.7
121.10144	4.1
123.08044	3.1
123.11738	1.6
125.09646	1.7
129.06984	1.1
131.08553	4.3
133.10143	5.0
135.08037	3.2
135.11731	1.5
137.05984	1.5
137.09616	1.6
137.13310	0.7
138.06332	1.3
139.11188	1.1
143.08554	1.9
145.10143	4.8
147.11681	3.1
149.09645	2.8
149.13295	1.2
151.11215	1.2
153.12816	1.1
155.08519	0.7
157.10184	0.9
159.08139	0.7
159.11685	4.3
161.13329	2.8
163.11258	2.1
163.14894	1.1
165.12764	45.2
171.11787	0.7
173.13287	3.6
175.14931	1.7
177.12766	3.2
179.14413	1.0
183.11711	1.3
185.13326	2.5
187.14888	0.8
189.12766	0.6
191.14391	2.0
197.13332	1.3
201.16403	0.6
203.12712	0.7
203.14381	2.7
205.15942	1.0
219.17465	6.9
223.18977	0.6
229.19563	0.7
233.15509	1.0
235.17018	2.6
239.18094	1.3
247.20718	0.7
251.16504	3.5
257.19141	2.7
259.21893	0.6
261.22244	3.2
271.20508	1.0
275.20087	10.4
275.22791	0.9
289.18341	1.7
289.21646	17.8
307.22787	52.6
307.28241	100.0
308.23352	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03936	3.9
55.01876	15.1
55.05515	28.1
57.03436	5.1
57.07061	1.3
59.04998	1.0
65.03932	2.6
67.05509	25.0
69.03440	2.6
69.06738	1.0
69.07072	13.9
69.32153	3.5
69.32592	5.1
71.04993	1.8
77.03895	0.9
79.05498	49.3
81.03420	2.6
81.06596	1.5
81.07063	28.1
83.04995	5.5
83.08624	12.0
85.06544	2.2
91.05486	29.8
93.06489	2.2
93.07050	31.2
95.04970	5.7
95.08611	20.4
97.06535	18.1
97.10178	21.6
98.06039	1.7
99.08087	1.3
105.07037	32.5
105.76414	1.1
107.04976	9.4
107.08600	100.0
109.06509	8.5
109.10168	8.3
111.08066	3.2
112.11811	1.0
117.07027	6.4
119.06107	1.8
119.08594	18.5
121.06505	3.4
121.10152	10.3
123.08054	3.3
123.11707	2.3
125.09638	26.1
129.07019	2.7
131.08563	11.1
133.06516	1.3
133.10138	17.5
135.08063	8.8
135.11703	6.1
137.06032	2.0
137.09613	2.6
138.06303	1.6
141.06979	1.5
143.08597	2.2
145.10123	17.5
147.11699	13.7
149.05951	2.3
149.09627	18.5
149.13275	1.9
151.11179	3.2
153.09114	6.8
153.12801	1.3
155.08546	1.5
157.10095	2.7
157.12251	1.6
159.11681	10.7
161.09663	1.9
161.13269	5.9
163.11227	5.6
165.09091	1.5
165.12729	2.0
169.10223	1.9
169.24382	1.2
171.10234	1.5
171.11688	3.2
173.11844	1.4
173.13255	5.5
175.11174	1.7
177.09224	1.0
177.12764	3.5
181.12326	2.1
183.11682	2.9
185.13292	3.5
187.11212	2.5
191.14351	1.2
197.13406	1.7
201.16125	1.1
203.12779	23.3
203.14384	2.2
211.14740	1.4
213.16414	1.2
215.14252	1.1
215.17805	1.0
219.17552	4.8
229.19543	2.5
235.16911	2.1
237.90581	1.1
239.17949	6.1
247.20540	2.3
257.19037	13.8
270.52539	0.9
271.16846	1.2
275.20081	68.1
278.84811	1.0
289.18015	4.2
289.21594	14.5
307.19379	1.8
307.22626	12.8
307.28207	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	307.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.4
55.01867	1.6
55.05512	6.7
57.03422	2.2
57.07064	0.7
59.05004	0.7
60.71870	0.5
61.02927	1.0
64.09541	0.5
65.03932	0.8
65.71040	0.6
67.05181	0.7
67.05508	8.9
69.03085	0.7
69.03431	8.8
69.07071	3.2
69.76100	0.4
71.04982	2.2
71.52219	0.9
73.02904	0.9
73.53304	0.6
79.05496	10.2
81.03426	8.1
81.07060	14.0
83.01285	0.7
83.04956	1.4
83.08623	3.6
85.02910	21.1
85.06532	0.9
87.08067	0.9
89.91463	0.7
91.05475	7.2
93.07043	8.5
95.04951	1.5
95.08611	14.0
97.02891	8.2
97.06509	2.8
97.10181	4.2
98.97601	0.7
99.03850	0.8
99.04453	11.7
99.08060	0.7
103.03948	17.2
105.07033	8.4
107.04965	1.5
107.08598	14.7
109.02885	8.2
109.06511	1.8
109.10162	12.3
111.04453	0.6
111.08083	3.0
115.05385	0.9
117.07006	3.3
119.08591	10.8
121.06493	2.8
121.09315	0.9
121.10142	9.0
123.04417	0.6
123.08080	3.6
123.11704	1.7
125.09645	5.4
127.03921	23.2
129.06995	1.6
131.08582	6.3
133.06467	0.9
133.10135	5.8
135.08072	7.6
135.11684	2.1
137.05954	0.7
137.09621	2.9
139.11177	1.0
141.06972	0.8
142.07756	0.7
143.08571	3.4
145.04958	8.6
145.06526	0.8
145.10126	8.4
147.08006	2.3
147.11679	4.2
149.09625	3.4
149.13232	1.0
151.07498	1.2
151.11197	1.2
153.09122	1.5
154.07750	0.6
155.08572	3.0
157.10129	4.3
158.06041	0.7
159.07993	2.6
159.11690	5.5
161.09605	2.4
161.13246	3.0
163.06053	1.1
163.07477	1.7
163.11208	1.9
165.09047	0.6
167.10684	0.6
168.09338	0.6
169.10159	2.9
171.11708	3.7
173.09653	2.9
173.13249	3.8
175.11186	2.4
175.14838	1.7
177.09109	1.0
177.12688	1.2
179.10692	0.7
181.10040	0.6
181.12210	0.7
183.11642	3.6
184.12433	0.8
185.13223	3.8
187.06015	4.6
187.11145	1.9
187.14819	2.3
189.09154	0.8
189.11227	1.9
189.12811	1.9
191.10561	0.6
191.14336	0.6
193.12239	1.4
195.11748	0.7
197.13255	3.6
199.14842	0.7
201.12746	1.4
201.16400	0.8
203.14365	1.2
205.07079	2.3
211.14789	3.8
213.16394	6.9
215.14336	2.5
215.17879	0.9
219.13852	1.2
223.14897	0.8
225.16365	3.4
227.17975	1.0
229.15866	1.0
231.17479	1.3
233.15356	2.4
241.15947	0.7
243.17464	4.8
243.21144	2.0
253.15857	1.3
253.19545	4.0
259.16769	0.6
261.18561	1.7
271.16925	6.3
271.20520	5.9
277.17978	1.4
289.09048	0.7
289.15549	0.6
289.17987	13.0
289.21576	5.8
307.19150	9.4
307.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
54.17326	1.4
55.01848	2.5
55.05518	12.7
57.03426	2.4
57.07060	5.2
67.05511	19.2
69.06739	2.5
69.07073	34.4
70.00648	3.1
70.01055	4.3
71.04981	5.4
73.06536	2.1
79.05498	9.4
80.41821	1.4
81.07062	55.4
83.08615	10.2
85.06523	4.4
87.04440	1.5
91.05466	5.0
93.07052	28.6
93.07661	2.7
95.08611	52.0
95.42513	1.7
97.06512	5.4
97.10157	6.9
101.05982	1.8
105.07033	13.1
107.04950	1.8
107.08599	47.6
109.06515	2.5
109.09479	2.5
109.10166	39.4
111.08086	3.1
111.11705	4.3
113.09633	1.7
115.07571	10.6
117.07013	3.4
119.08588	16.8
121.10152	35.1
123.11714	27.8
125.09643	3.4
127.27307	1.6
131.08539	4.5
133.10130	12.4
135.11708	23.1
137.05948	5.2
137.09631	2.2
137.13219	8.5
138.06297	4.2
139.11179	3.7
143.10689	13.8
145.10132	9.0
147.11740	9.7
149.13268	37.3
151.14841	1.8
153.12714	2.0
155.10689	2.9
159.11674	6.9
159.13821	2.4
161.13246	14.3
163.11191	2.6
163.14830	100.0
165.12772	3.3
165.16344	2.2
173.13271	4.8
175.14812	9.8
177.16373	7.1
179.14374	2.6
179.17845	2.2
187.14796	4.6
189.16379	6.8
191.17950	41.6
193.15939	2.0
193.19440	1.7
201.16368	7.6
207.17337	1.8
215.17957	5.9
217.19487	6.0
219.17409	5.7
229.19545	1.8
231.21080	39.2
233.18915	1.5
271.24261	25.1
275.19989	2.8
289.25241	54.9
307.20657	2.0
307.22650	3.8
307.26270	53.6
307.30243	2.5
307.31317	2.2
308.29556	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	307.2632
Annotation	(E,E,E)-2,6,10,14-Tetramethyl-3,6,10,15-hexadecatetraene-2,14-diol
Peak:m/z	Relative Intensity
50.96665	0.7
53.28229	0.8
55.05510	9.6
57.03435	1.7
57.07073	3.4
59.04981	1.0
62.17957	0.8
64.02751	0.7
65.03920	0.9
67.05507	15.0
69.07071	26.5
71.04996	4.9
71.08642	0.9
73.06580	1.1
76.84041	0.8
79.05495	8.9
81.07061	40.1
83.04991	1.6
83.08621	9.1
85.06554	3.1
91.05479	5.3
93.07047	24.6
95.05032	0.8
95.08611	43.7
97.06570	3.9
97.10184	6.5
98.21614	1.5
99.08113	1.9
101.06029	1.8
105.07036	9.9
107.08601	41.6
109.06556	1.3
109.10164	29.7
111.08096	1.9
111.11734	3.1
113.09640	1.2
115.07584	10.7
117.07028	2.2
119.08600	12.4
121.06521	0.9
121.10149	30.7
123.07999	1.3
123.11712	22.2
125.09627	2.4
127.11185	0.9
129.06975	0.8
129.09122	3.5
131.08559	2.6
133.10129	10.1
135.11693	16.1
137.06020	1.3
137.09650	1.1
137.13261	6.1
139.11214	2.6
141.12717	1.1
143.08664	0.7
143.10680	13.2
145.10115	4.2
147.11717	8.5
149.09616	1.0
149.13269	27.8
151.11162	1.3
151.14810	1.9
155.10663	3.2
157.12291	2.0
159.11739	3.9
159.13837	4.1
161.13246	9.5
163.14830	100.0
165.12715	1.2
165.16409	2.7
169.12178	1.2
172.02562	0.9
173.13286	3.1
175.14822	8.2
177.16437	5.1
179.14342	1.0
179.17917	1.5
187.14838	3.0
189.16333	4.2
190.44954	0.8
191.17953	14.5
193.15880	2.4
193.19521	0.9
201.16420	5.0
203.17920	2.0
205.19682	1.0
207.17445	1.5
215.17929	5.2
217.19510	1.6
219.17389	2.5
219.21173	1.8
226.88077	0.7
229.19604	1.9
231.21092	14.6
233.18956	1.5
240.79259	0.7
247.20665	0.8
257.18961	1.1
261.25876	1.6
263.24365	0.7
271.24213	18.4
275.20062	3.6
289.25244	27.4
296.90100	0.9
307.22815	3.0
307.26297	40.4
320.73761	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95599	1.5
56.00529	1.6
60.01723	1.6
69.43944	2.8
69.44345	9.4
72.63343	1.6
77.47691	1.4
84.08143	1.5
84.91200	2.2
88.86135	1.5
89.63815	1.7
96.99162	1.7
98.20652	1.8
104.07151	1.9
106.34088	1.7
112.89601	2.0
116.82468	1.5
136.35855	1.6
142.68570	1.6
148.16533	2.0
204.88907	3.6
269.45993	1.8
276.63364	1.9
291.47003	1.7
309.04044	100.0
309.07507	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Albocycline
Peak:m/z	Relative Intensity
51.54600	1.0
53.03946	2.2
55.01868	4.5
55.05515	21.1
57.03437	1.6
59.04980	1.2
61.19085	1.0
66.40419	1.0
67.05514	10.7
69.03422	4.4
69.07082	8.2
70.13691	1.9
71.05004	1.7
79.05495	13.5
81.03416	2.8
81.07056	16.3
83.04974	1.2
83.08632	11.1
85.06576	1.3
86.09981	1.0
91.05482	7.5
93.07043	11.3
95.04987	5.4
95.08597	7.1
97.02900	1.7
97.06518	1.6
97.10165	14.9
105.07043	8.2
107.04950	3.3
107.08594	8.7
109.06548	1.3
109.10186	3.4
111.04433	1.7
117.07023	3.6
119.08592	5.1
121.06526	2.3
121.10150	2.9
123.08063	5.8
125.09653	10.1
129.07030	2.8
131.08588	2.3
133.06487	2.4
133.10138	2.2
135.08057	3.0
137.09630	1.8
143.08591	1.1
145.10149	3.4
147.08073	3.8
147.11703	2.2
161.09608	1.4
163.11189	1.2
165.09131	3.5
175.11194	2.2
189.11226	8.1
193.12355	1.1
215.54044	1.3
223.13358	6.2
249.14958	1.2
255.17392	1.6
263.20047	1.4
273.18506	10.7
291.19559	100.0
292.19861	1.5
309.20609	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03951	4.4
55.01870	11.7
55.05514	30.5
56.96566	2.9
57.03434	17.8
57.07066	4.0
59.05009	19.2
65.03947	2.8
67.05510	62.4
69.03145	1.9
69.03437	23.5
69.07065	20.0
71.04981	6.7
71.08623	4.6
79.05068	3.8
79.05497	45.9
81.03406	6.6
81.06591	3.8
81.07059	49.0
83.01366	2.9
83.04976	9.3
83.08619	15.2
85.02901	3.2
85.06538	7.7
91.04906	2.5
91.05482	47.8
93.07043	39.7
95.04974	25.9
95.08610	44.6
97.02871	2.6
97.06564	13.8
97.10172	17.8
99.04442	5.6
99.08089	4.8
105.07041	28.8
107.04954	31.5
107.08582	28.1
109.06525	17.8
109.10162	52.3
111.04454	7.6
111.08110	6.9
117.07017	14.5
119.04968	12.5
119.08591	32.8
121.06498	8.4
121.10156	21.9
123.04362	2.2
123.08057	13.5
123.11670	5.1
125.09634	13.4
129.06993	6.7
131.08559	22.7
133.06543	10.4
133.10147	15.5
135.08051	15.8
135.11699	9.3
137.05971	3.6
137.09625	37.4
138.59154	2.2
139.11171	5.9
141.06906	2.3
143.08553	7.1
145.10132	15.2
147.04422	70.8
147.08026	10.8
147.11650	4.9
149.09634	10.6
151.11192	4.2
153.09167	2.8
155.08623	4.4
155.10670	10.8
157.10115	7.7
159.11714	6.3
161.09653	7.9
161.13258	2.9
163.11177	7.4
165.09109	7.4
169.10051	4.1
170.86967	2.2
171.11679	5.4
173.09619	2.6
173.10143	2.9
173.11739	42.1
173.13191	3.8
175.11191	6.3
177.09119	2.2
177.12852	2.6
179.10701	2.3
185.13142	2.3
187.11179	2.7
187.14853	2.8
189.11215	10.6
189.12769	3.4
193.12268	3.5
197.13235	6.3
199.14758	3.1
203.10716	2.2
215.14505	3.4
217.15813	5.1
223.13316	6.9
227.17905	3.4
231.13792	4.1
233.15395	18.1
237.16487	3.2
245.18962	5.0
249.15025	2.7
255.17487	8.3
263.20145	8.8
273.18497	31.3
291.19565	100.0
309.20572	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03931	2.0
55.01876	26.8
55.05518	9.2
56.14062	1.2
56.60660	1.0
57.03437	2.6
61.53384	1.1
65.03943	1.3
66.56870	1.1
67.05181	1.5
67.05511	20.2
69.03475	1.0
69.07072	8.9
69.77515	1.8
69.77924	3.3
70.30575	1.2
71.05006	2.0
71.96157	0.9
72.45487	1.1
79.05515	10.6
81.03429	5.5
81.07070	12.4
83.04987	30.1
83.08627	3.2
86.94220	1.0
91.05492	10.5
93.07068	11.5
95.04983	10.4
95.08615	10.2
97.06540	19.5
97.10169	3.1
99.03853	1.5
99.04457	19.8
99.08094	1.7
105.07030	5.9
107.04971	8.2
107.08605	8.3
109.06520	2.9
109.10168	10.0
111.04453	100.0
111.08106	2.1
117.07047	3.1
118.96159	1.2
119.08604	4.5
121.06529	1.7
121.10148	4.0
123.08064	4.5
125.09634	3.7
129.07021	2.6
131.08560	3.9
133.10152	5.0
135.08057	4.6
135.11649	2.0
137.09628	7.0
139.11180	1.1
140.12238	0.9
143.08528	1.3
144.94493	1.0
145.10094	2.2
147.08031	2.1
147.11667	1.6
149.04565	1.1
149.09642	6.0
151.11188	1.4
153.09122	22.3
155.10661	2.3
157.10124	1.7
159.11723	1.6
161.09650	7.4
163.11252	2.5
171.11635	1.6
173.11700	1.9
175.11212	3.5
177.12808	1.8
179.10634	2.6
189.12733	2.2
193.12236	2.3
203.10783	1.1
203.14391	1.3
217.15828	1.3
221.15401	1.7
231.13646	1.0
245.18990	1.8
249.14777	1.8
255.17252	1.7
263.20081	5.6
267.15936	2.9
273.18494	11.2
291.19556	35.2
309.20599	28.5
309.24066	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
55.01868	8.9
55.05514	11.4
57.03442	25.8
63.71178	2.4
64.76027	2.5
67.05505	37.1
69.07068	3.6
69.27628	5.4
69.28043	14.5
71.04972	6.3
71.05789	2.1
72.36085	2.2
74.03104	2.3
75.05276	2.0
79.05491	23.6
81.03397	2.0
81.07056	42.6
81.07528	3.7
83.04973	13.3
83.08614	5.1
85.02888	3.4
85.06532	19.2
91.05486	17.4
93.07037	21.5
95.04969	38.8
95.08593	10.1
97.06526	4.2
97.10160	5.2
100.92101	2.3
105.07050	15.7
107.04968	4.6
107.08607	14.6
109.05809	3.0
109.06524	40.2
109.10126	5.1
111.04443	26.1
111.08081	6.6
113.06007	77.3
117.07014	9.4
119.08562	15.5
121.06506	6.8
121.10155	9.0
123.08066	5.3
125.09660	6.2
129.06995	5.0
131.08568	14.6
133.10109	5.2
135.08073	28.5
135.11668	7.7
143.08586	5.4
145.10118	13.6
147.08057	9.7
147.11719	2.9
149.09612	5.5
153.12715	4.6
159.11696	3.9
161.09599	7.9
163.11203	12.1
181.12218	8.8
189.11093	2.5
191.10683	8.0
217.15857	8.2
223.13158	3.3
227.18036	3.0
249.14803	4.6
273.18488	29.1
291.19547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03934	2.3
55.01861	4.4
55.05514	20.0
55.55062	0.7
58.59740	0.8
59.04977	1.2
65.03943	1.5
67.05185	1.3
67.05510	21.1
69.03423	2.6
69.07077	5.8
69.53918	5.4
71.04999	1.5
79.05499	40.2
81.03420	1.2
81.07061	17.5
83.04971	2.9
83.08617	8.9
91.05486	17.4
93.06487	1.3
93.07047	18.7
95.04954	4.5
95.08614	8.4
97.06529	1.3
97.10170	14.3
105.04532	0.9
105.07033	9.9
107.04960	100.0
107.08595	19.3
109.06500	1.8
109.09481	1.5
109.10162	18.8
111.08089	1.4
115.05434	1.3
117.07031	9.7
117.22667	0.9
117.76804	0.8
119.08588	22.1
121.06551	1.9
121.10130	7.8
123.08047	1.4
125.09648	10.5
126.16743	0.8
129.07011	2.6
131.08600	5.7
133.06509	1.1
133.10139	2.6
135.08058	55.6
135.11668	1.5
137.09637	9.9
143.08553	3.3
145.10132	8.0
147.08031	7.8
147.11720	1.6
149.08525	0.8
149.09616	4.2
153.09093	1.1
155.10663	10.8
157.10172	2.8
159.08095	1.0
159.11694	2.4
161.09598	3.4
163.11082	1.7
165.09142	3.4
171.10268	1.4
171.11691	2.6
173.11760	15.7
175.11166	2.2
177.09076	1.1
181.12227	1.7
183.10193	1.8
189.11227	4.6
189.12733	1.2
227.17833	1.5
245.19008	2.2
255.17477	2.3
263.19955	2.0
273.18503	23.4
291.19540	34.6
309.20523	4.7
326.27048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03940	3.2
55.01869	5.0
55.05513	22.3
57.03434	2.7
57.07075	1.0
57.18174	0.9
67.05507	25.1
69.03431	1.4
69.07078	5.6
70.77306	2.2
71.04984	1.3
79.05501	40.4
81.03407	3.4
81.07059	18.1
83.04987	3.1
83.08630	10.3
91.02718	1.1
91.04922	1.6
91.05479	17.8
93.07047	18.6
95.04970	4.1
95.08604	11.4
97.06525	1.1
97.10180	13.9
99.08128	1.4
105.07030	10.0
107.04961	100.0
107.08599	18.4
109.06506	2.5
109.10162	18.5
111.08105	2.6
115.05466	2.7
116.06291	1.2
117.07029	8.0
119.08586	23.0
121.06487	2.1
121.10148	7.1
122.03586	1.2
123.08038	1.7
125.09624	9.1
129.07025	3.1
131.08566	6.2
133.06477	1.1
133.10144	2.4
135.08064	51.0
135.11681	2.8
137.05988	17.9
137.09619	8.8
138.05568	1.1
138.06345	12.5
143.08583	2.9
145.10127	7.0
147.08069	9.5
147.11694	2.0
149.09607	3.8
151.11200	1.1
153.09085	1.3
155.10654	7.4
157.10127	3.0
157.52112	1.3
159.08020	1.1
159.11670	3.1
161.09616	3.8
163.11192	2.0
165.09116	5.2
171.11696	1.8
173.11751	18.2
175.11154	1.6
177.09293	1.5
181.12277	2.0
183.10158	2.1
185.13358	1.1
189.09651	1.0
189.11215	6.7
189.12724	1.6
226.02753	1.2
227.17964	1.5
249.15050	1.1
255.17395	2.3
258.80453	1.0
263.20029	2.6
273.18497	22.3
291.19562	36.0
309.20621	5.0
309.24338	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	6.8
55.01881	12.0
55.05513	28.1
57.03430	5.3
57.07067	4.1
64.72332	1.6
65.03927	3.1
67.05509	78.2
69.03421	7.3
69.07071	25.3
69.79668	11.3
71.04642	1.7
71.04977	10.9
72.73061	1.7
79.05496	42.3
81.03422	9.4
81.07059	80.0
83.01338	3.2
83.04996	17.7
83.08631	9.8
85.06541	8.1
91.05488	52.9
93.07047	43.0
95.04987	13.9
95.08070	2.9
95.08618	40.6
97.06507	9.3
97.10185	4.8
99.04437	6.2
99.08107	4.4
104.62998	1.7
105.07039	45.8
107.04948	10.7
107.08604	52.6
109.06524	12.6
109.10168	85.6
109.10934	4.0
111.04442	6.8
111.08073	8.1
113.05971	3.1
117.07033	6.8
119.08590	19.6
121.06512	9.7
121.10149	12.1
123.04436	3.5
123.08054	7.5
123.11704	12.7
125.05950	3.0
125.09646	4.4
127.07557	3.0
129.06985	6.9
131.08582	10.4
133.06476	5.8
133.10139	100.0
135.08064	8.3
135.11705	7.6
137.05945	3.7
137.09601	5.7
139.07544	4.3
143.08582	5.3
145.10103	10.9
147.08060	8.3
147.11694	6.1
149.09637	7.6
151.11194	70.7
153.09134	2.1
157.10133	4.9
159.11639	5.2
161.09621	8.3
161.13213	3.3
163.11206	4.2
165.09123	3.1
167.10744	2.9
169.12256	22.6
171.11705	7.1
173.46741	1.9
175.11171	5.7
177.09059	2.2
177.12753	2.0
179.10684	4.7
185.13184	3.4
189.12735	4.0
193.12224	2.4
207.13852	3.3
209.11641	2.5
215.12823	9.4
227.18002	4.6
241.19745	2.2
245.19025	14.2
255.17381	6.0
263.20062	12.6
273.18503	36.8
291.19556	69.9
309.20624	18.6
309.24213	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03926	8.0
55.01862	7.2
55.05514	18.9
55.92081	2.0
57.03425	7.5
57.07050	5.6
58.61055	2.3
63.50304	1.9
65.03950	2.1
67.05508	45.3
69.03415	3.9
69.07067	27.0
69.37508	9.5
69.37927	7.5
71.04999	3.8
71.08601	8.1
79.05071	3.3
79.05496	44.5
80.31160	2.1
81.03379	5.6
81.06603	3.2
81.07059	53.7
82.88187	2.2
83.04947	7.0
83.08607	10.9
85.06502	2.2
91.05482	45.0
93.07043	87.9
94.31860	2.0
95.04397	4.6
95.04976	60.4
95.08609	55.0
97.06528	25.8
97.10149	4.8
99.08092	12.2
103.05420	3.6
105.04498	3.1
105.07033	91.1
106.07769	3.6
107.08600	46.8
109.06515	10.4
109.10161	27.8
111.08019	4.3
115.05428	6.1
116.06221	3.0
117.07011	21.6
119.07712	3.4
119.08581	79.9
121.06535	13.9
121.10148	100.0
123.08044	8.4
123.11676	9.3
128.06181	8.3
129.07019	12.1
130.07741	4.9
131.08583	39.3
133.06514	3.3
133.10133	50.9
135.08014	6.1
135.11697	21.1
141.06946	6.7
142.07784	14.8
143.08568	32.1
144.09282	6.5
145.06445	3.4
145.10124	62.6
147.08023	5.5
147.11700	14.8
149.09596	7.6
151.11176	6.0
154.07742	4.0
155.08527	12.7
156.09315	12.0
157.10132	44.9
158.10846	4.7
159.08040	5.2
159.11691	41.9
161.09599	9.4
161.13283	11.4
163.11194	4.3
167.08524	4.5
168.09340	4.5
169.10138	19.5
170.10837	5.7
171.11681	16.5
173.09576	5.3
173.13269	24.4
175.14761	9.5
179.08519	4.9
180.09303	2.8
181.10063	8.4
182.10930	5.1
183.11737	16.2
184.12450	4.0
185.13252	14.9
187.11229	14.9
187.14813	28.7
189.12752	4.3
193.10120	6.4
193.12029	2.9
194.10974	3.2
195.11630	8.3
196.12482	3.7
197.13300	12.5
199.14891	14.3
200.15675	2.3
201.12724	5.4
201.16348	2.8
206.10857	3.9
207.11642	6.7
209.13170	9.9
211.14734	10.4
213.12773	2.5
213.16365	5.3
215.14232	3.5
221.13174	4.9
223.14795	6.6
225.16330	7.5
227.14377	3.0
235.14726	6.3
239.14354	4.2
239.17790	6.8
241.15804	3.6
241.19427	4.8
247.14752	2.8
249.16345	2.6
253.15721	5.3
253.19513	3.2
265.19492	3.1
267.17355	3.2
277.21558	9.2
281.22577	6.5
291.20920	8.8
309.22037	89.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03955	10.6
55.01869	7.2
55.05270	3.4
55.05515	39.8
57.03436	5.5
57.07074	6.5
59.05006	3.1
67.05513	100.0
69.03449	3.0
69.07074	31.1
69.80838	7.0
71.04990	3.8
71.08641	26.4
79.05499	47.0
81.03429	23.8
81.07065	61.3
81.07536	3.7
83.04984	12.3
83.08630	18.8
85.06551	6.1
89.42472	1.6
91.05493	26.2
93.07049	63.4
95.04981	29.4
95.08614	38.2
97.06540	11.3
97.10176	31.1
99.08105	32.0
105.07042	40.9
107.04977	4.8
107.08607	54.8
109.06546	8.9
109.10172	38.0
111.08096	6.2
115.05499	2.5
117.07014	10.2
119.08602	29.9
121.06506	5.0
121.08776	2.0
121.10161	41.5
123.08067	5.9
123.11714	7.7
125.09635	34.7
128.06245	2.4
129.07016	7.9
131.08588	16.5
133.06549	2.1
133.10133	24.8
135.08073	7.6
135.11711	22.9
137.09641	2.8
139.07562	2.4
141.07005	2.3
142.07809	4.5
143.08574	11.4
145.10123	20.7
147.11667	17.1
149.09656	3.1
149.13269	13.8
151.11183	30.1
153.09140	8.3
155.08569	3.1
156.09303	3.3
157.10179	12.3
157.12289	2.6
159.11708	13.2
161.09579	4.1
161.13254	12.2
163.11197	10.5
163.14838	5.7
165.12791	2.6
167.10744	1.9
169.10077	8.6
169.12309	2.5
171.10345	2.8
171.11630	8.4
173.13341	9.4
175.14835	8.9
177.12807	3.1
179.14268	8.7
181.10094	2.0
181.12196	2.4
183.11775	3.8
185.13257	10.2
187.11189	3.0
187.14871	7.1
189.12840	2.9
193.10188	2.2
193.15970	4.8
195.11607	1.9
197.13326	3.5
199.14867	4.6
201.16270	2.6
203.11063	3.1
203.12805	30.2
203.14568	3.6
207.13727	2.2
209.13275	3.1
213.16412	2.1
217.15886	1.8
217.19475	2.9
221.15361	3.9
231.21091	2.3
235.16837	2.7
241.19603	7.3
249.22183	2.8
253.15814	2.2
259.20605	16.9
277.21649	98.4
281.22519	2.0
291.23212	5.6
309.21548	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	3.2
55.01863	2.4
55.05317	1.8
55.05513	17.3
56.12254	1.9
57.03418	3.8
57.07068	2.6
58.06647	1.5
60.56791	1.5
65.03912	1.8
67.05507	40.6
69.07079	14.6
71.04991	2.5
71.08636	51.8
79.05498	36.8
81.03408	8.0
81.07060	41.3
83.04989	10.6
83.08633	9.0
85.06523	4.1
91.05489	26.5
93.06490	2.7
93.07050	54.2
95.04950	5.2
95.08612	32.9
97.06530	11.3
97.10171	3.1
99.08096	49.7
104.37160	1.8
105.07037	15.7
107.04942	7.5
107.08594	26.4
109.06518	2.8
109.10162	10.0
111.08081	2.7
113.09621	4.9
116.21115	1.8
116.63014	1.7
116.81763	1.6
117.07029	2.7
119.08581	10.8
121.06426	1.7
121.10156	23.8
123.11726	2.8
127.11195	2.1
131.08542	4.5
133.10144	10.2
135.11703	32.2
141.09102	2.2
143.08627	1.7
145.10133	3.4
147.11674	5.5
149.13278	10.6
151.11189	16.9
153.12808	3.3
157.10086	2.4
159.11729	4.0
161.13258	8.4
163.11179	7.1
167.10634	3.7
173.13326	2.2
177.12744	4.2
179.14317	100.0
185.13225	2.3
200.40056	1.6
221.15308	4.6
235.16846	4.2
240.68878	1.8
246.10614	2.0
259.20627	6.7
262.31808	1.6
277.21625	60.8
309.24298	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	7.5
55.01880	14.3
55.05513	32.9
57.03447	8.5
57.07073	11.5
57.17998	1.7
59.04987	4.8
65.03938	1.9
67.05506	74.7
69.03445	11.9
69.07070	32.9
69.58646	11.0
71.04991	3.3
71.08628	37.4
77.03916	1.8
77.32774	1.3
79.05494	45.8
81.03429	15.4
81.07057	63.8
83.05003	13.8
83.08617	18.4
85.06541	7.0
85.10186	13.0
91.05482	27.3
93.07043	48.4
95.04977	20.1
95.08612	44.8
97.06544	16.8
97.07106	3.1
97.10167	21.7
99.08100	34.4
105.07035	26.6
107.04988	7.9
107.08601	34.9
109.06518	11.1
109.10173	21.4
111.04437	5.5
111.08064	11.6
111.11703	2.1
113.06013	4.8
113.09647	14.4
113.73965	1.9
117.07034	6.6
119.08590	19.0
121.06496	4.0
121.10133	16.9
123.08075	16.6
123.11748	5.0
125.06014	2.4
125.09627	21.5
129.07007	4.0
131.08580	7.6
133.10143	17.4
135.08028	9.9
135.11687	21.9
137.09610	9.2
137.13278	3.5
139.07542	3.3
139.11200	5.9
141.73381	1.7
143.08563	6.8
145.10168	7.5
147.04379	3.9
147.08035	2.4
147.11690	12.0
149.09619	6.3
149.13286	8.9
151.11191	22.3
153.09113	5.5
153.12776	4.8
155.10693	2.8
157.10130	4.5
159.11697	4.1
161.09671	3.1
161.13289	13.5
163.11191	14.5
163.14838	4.8
165.12749	15.3
167.10643	2.7
171.11714	6.0
173.13249	6.1
175.11171	2.8
175.14868	7.4
177.12779	2.6
179.14351	9.9
181.12231	3.1
185.13295	6.1
189.12811	3.5
189.16515	1.9
193.12215	3.0
193.15813	3.3
195.42529	1.7
199.14874	3.7
203.12782	11.2
203.14429	2.0
207.13774	3.1
217.16104	2.2
217.19511	2.7
221.15341	3.9
231.21074	3.9
235.16954	6.0
241.19470	9.4
249.22133	6.3
255.17395	1.8
259.20697	10.9
259.23010	1.7
263.20105	3.4
273.18457	4.5
277.21634	100.0
291.19528	15.2
291.22968	3.8
309.20724	5.3
309.24225	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.1
55.01874	6.3
55.05278	1.8
55.05513	20.9
57.03432	1.7
57.07063	4.0
62.70343	1.2
67.05505	41.0
69.03439	2.8
69.07071	31.1
69.20952	1.7
69.21352	11.4
71.05000	2.6
71.08614	5.3
79.05076	1.8
79.05499	26.1
81.03419	47.4
81.07063	36.7
83.04990	13.4
83.08617	9.9
85.06535	1.5
85.10170	1.9
91.05484	14.9
93.07050	29.7
95.04385	1.7
95.04973	27.4
95.08604	17.6
97.06507	3.9
97.10181	6.7
99.08086	3.2
105.07031	16.1
107.05005	1.4
107.08608	17.1
109.06523	6.2
109.10159	13.3
111.08076	1.9
113.09660	1.8
117.07025	2.5
119.08582	11.6
119.23457	1.3
121.06408	1.2
121.10136	7.9
123.08045	2.3
123.11695	5.6
125.09619	13.5
129.07014	2.7
131.08525	5.1
133.10129	13.2
135.08047	4.8
135.11708	8.5
137.09637	2.9
139.11209	1.5
143.08606	1.4
145.10065	1.6
147.11707	10.9
149.13257	6.3
151.11189	33.6
153.09117	3.9
157.10132	1.9
161.13274	10.6
163.14806	3.8
165.12747	10.6
171.10243	1.7
171.11696	4.1
173.13255	1.5
175.14822	4.1
179.14291	6.4
185.13300	2.1
189.12708	2.9
193.12138	2.7
199.14900	1.4
203.12740	7.5
207.13753	3.7
217.19539	2.3
231.21068	9.5
241.19511	6.0
249.22133	4.1
259.20572	8.9
277.21634	100.0
309.24222	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.78009	1.2
53.03955	3.3
55.01870	5.1
55.05515	38.0
57.03446	8.2
57.07066	4.7
59.04998	6.3
65.03934	2.3
67.05508	54.8
69.03436	9.2
69.07072	62.7
70.06569	1.7
71.01341	1.7
71.04996	7.6
71.08621	1.9
75.17918	1.3
79.05499	31.5
81.03432	4.4
81.07061	78.1
83.05006	8.4
83.08620	14.7
85.02901	2.8
85.06557	4.6
88.80531	1.4
91.05483	26.3
93.07047	45.5
95.04984	8.7
95.08614	64.3
97.02881	1.6
97.06534	24.0
97.10175	45.4
97.69239	1.3
98.20692	2.3
98.97565	2.8
99.04457	3.5
99.08077	3.3
103.05511	1.8
105.03402	2.1
105.07043	23.0
107.04981	5.8
107.08604	37.0
109.02884	1.4
109.06541	10.3
109.10162	100.0
109.78867	1.5
111.04456	2.7
111.08100	7.6
111.11720	13.7
113.06037	2.2
115.11159	2.0
117.07059	6.8
119.04942	9.4
119.08584	21.5
121.06567	1.5
121.10149	33.2
123.08102	8.0
123.11715	25.3
125.09621	7.9
125.13299	1.4
127.03883	1.5
129.06990	3.7
131.08577	9.3
133.10146	16.5
135.08076	4.9
135.11697	35.9
137.09605	12.6
137.13235	3.2
139.11186	32.4
143.08533	2.0
143.10637	2.5
145.10110	6.7
147.03238	2.3
147.04419	45.4
147.08092	3.0
147.11684	9.7
149.09660	4.0
149.13258	6.4
151.11211	6.5
151.14832	1.5
153.09055	2.4
153.12717	10.4
155.10696	1.7
157.10121	4.2
157.12244	27.1
159.11722	3.5
161.02324	1.7
161.09641	3.8
161.13275	4.1
163.03952	3.4
163.11195	4.7
163.14819	4.6
165.09158	4.2
165.12733	4.4
169.12228	1.7
171.11659	3.6
171.13841	3.3
173.02339	1.9
173.11848	2.1
173.13251	2.7
175.11177	2.7
175.14893	7.3
177.05424	1.9
179.03322	2.2
181.12286	2.4
181.15923	1.8
185.13287	3.1
189.11234	5.5
189.12753	2.2
189.16426	2.9
191.03413	20.1
199.14923	2.4
203.12755	6.3
209.13422	1.4
213.16353	3.0
215.07004	3.3
215.17998	2.1
217.15868	4.4
217.19485	1.7
223.13271	1.6
227.17979	1.9
231.13768	1.9
231.17334	2.1
233.08101	23.1
235.16966	6.1
245.18919	3.3
245.22765	2.1
247.16997	1.8
255.17477	2.2
259.09717	15.1
263.20139	2.9
263.23682	11.1
273.11130	1.5
273.18484	12.6
273.22159	4.0
281.25012	2.5
291.12296	2.4
291.19571	25.0
291.23181	48.8
309.20578	24.0
309.24274	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	310.165
Annotation	Fulvine
Peak:m/z	Relative Intensity
52.88749	2.6
53.43464	4.3
55.01860	3.3
55.05503	9.9
56.96573	3.8
57.03423	4.3
57.86605	2.8
66.44871	3.2
67.05505	14.4
69.03426	9.7
69.07047	9.1
69.96244	14.6
70.06581	2.7
70.07368	2.5
71.04991	5.5
79.05495	14.6
80.05844	3.8
81.07043	17.2
82.07376	8.0
83.04969	5.6
83.08615	5.9
86.06081	26.9
87.72061	2.8
90.28338	3.1
91.05481	26.4
93.07037	10.7
95.04931	4.1
95.08603	10.1
96.08922	3.6
97.06529	3.6
97.10156	8.0
98.97560	3.4
100.11266	17.4
103.23156	3.0
105.07078	15.3
107.04933	4.0
107.08569	12.7
107.09220	3.2
108.04437	4.9
109.10179	6.2
110.02383	3.5
110.10480	3.7
117.07031	5.7
119.04945	4.5
119.08582	15.8
120.08075	4.8
121.10146	7.0
122.06018	25.8
123.08035	4.0
128.06259	3.9
131.08548	4.6
133.10126	11.1
135.07994	4.0
135.11703	7.8
136.07573	6.4
137.09641	4.7
143.08542	13.9
145.10083	4.1
147.04411	11.1
148.04755	13.5
148.07509	13.8
149.08318	6.9
150.09137	3.2
157.10185	3.5
160.45081	2.7
161.09610	24.8
164.07082	13.1
166.52966	3.1
168.10268	4.7
171.08008	13.5
176.07077	9.1
178.08597	8.3
178.12140	3.0
188.10703	5.2
189.09131	12.3
190.08711	17.5
203.33522	2.9
203.93033	3.0
206.11821	3.7
218.11761	3.7
218.15327	9.3
226.19194	14.0
228.13823	5.8
229.90242	3.2
236.12756	7.2
243.09070	3.8
246.14914	100.0
256.13419	20.7
264.13617	3.8
264.15961	35.2
274.14371	37.3
274.18747	7.0
286.14294	5.7
292.15448	90.6
292.19482	11.8
292.23370	3.7
310.10312	3.4
310.16446	30.3
310.20358	18.4
310.24640	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	311.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.8
55.01860	2.4
55.05517	3.5
55.20203	0.5
57.03426	1.8
59.43484	0.5
61.74655	0.6
65.03926	0.9
65.51413	0.5
67.05504	6.3
69.03435	5.2
69.07062	1.9
69.32285	4.9
71.04994	13.3
77.03887	0.7
79.05496	17.8
81.03413	2.1
81.07056	6.7
83.04975	2.0
83.08602	2.1
85.02861	0.6
85.06531	0.8
91.05483	21.8
91.91572	0.6
92.78912	0.6
93.07044	8.1
95.04980	5.6
95.08593	2.9
97.06525	1.6
97.10183	0.9
98.97614	0.9
99.04459	9.6
99.08082	0.9
103.05459	1.8
105.03416	0.5
105.04514	1.3
105.07030	36.8
107.04961	23.2
107.05711	0.9
107.08601	6.6
109.06512	2.9
109.10166	6.8
111.04430	1.6
111.08070	1.0
113.05991	2.2
115.05473	2.7
117.07007	7.3
118.07780	1.1
119.04978	0.6
119.08582	40.8
121.06502	9.0
121.10147	2.2
123.08068	1.3
123.11717	0.8
125.05962	1.6
125.09650	1.0
128.06209	10.3
129.07013	5.9
130.07834	1.1
131.04947	1.1
131.08591	3.5
132.05656	0.9
133.06508	3.3
133.10133	37.9
134.10411	0.5
135.08052	1.2
137.05963	0.6
137.09615	10.3
141.06935	0.7
143.08559	17.6
145.06468	3.3
145.10133	5.1
146.07265	10.7
147.04372	0.8
147.08049	29.7
147.11719	0.7
149.06009	0.8
151.11212	0.9
159.08058	2.1
159.11823	0.7
161.09619	100.0
162.09998	0.9
163.11203	1.5
165.07022	0.8
165.09123	12.1
171.08034	2.5
174.06752	2.3
179.10672	7.7
181.06494	0.9
189.09113	13.0
197.05917	0.7
207.10150	10.1
225.11244	2.5
237.05478	1.1
247.15228	2.4
265.05078	1.0
275.20047	1.5
283.06088	2.9
293.15973	1.3
293.21075	4.3
311.05557	3.0
311.12469	0.7
311.22485	1.1
326.61920	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.51318	1.0
53.03946	2.1
55.01871	8.1
55.05517	14.2
57.03436	2.2
57.07075	1.7
57.33333	0.9
60.99562	0.9
61.08076	0.9
64.69088	0.9
65.03950	0.9
67.05505	19.1
67.17153	1.1
69.03441	1.8
69.07073	43.8
69.69970	1.8
69.70370	5.5
71.04994	3.8
71.08639	1.4
79.05502	16.7
80.15897	1.0
81.03419	6.5
81.07064	21.9
83.04983	12.3
83.08625	4.4
85.02907	4.1
85.06580	1.8
86.06804	0.9
91.05492	8.5
93.07044	16.5
95.04977	36.6
95.08611	13.3
96.31265	0.9
97.06542	7.7
97.10172	6.6
98.21402	1.9
99.04462	3.8
99.08120	1.8
105.07040	8.4
107.04977	5.0
107.08605	9.5
108.38698	1.1
109.06526	3.5
109.10156	4.6
111.04448	20.0
117.07029	6.4
119.08594	7.6
121.06500	3.3
121.10150	9.0
123.08098	2.7
123.11678	1.4
125.09631	3.5
128.94609	1.0
129.07002	1.7
131.08588	6.8
133.10136	6.5
135.08067	8.0
135.11722	3.8
137.09622	2.0
139.11192	3.7
143.08546	2.2
145.10129	6.2
147.11719	2.4
149.09644	4.4
149.13272	3.5
151.11200	2.7
153.09084	1.3
155.08563	1.2
159.11700	6.8
161.09619	2.9
163.11220	2.8
165.12816	1.4
167.14386	3.2
169.10132	1.9
171.11710	1.8
173.13373	2.0
177.12791	7.7
183.11641	1.7
187.11293	1.6
189.11278	1.4
189.12801	1.4
195.13820	3.4
201.12839	1.3
203.12738	3.4
205.12282	2.1
207.13843	3.8
219.13779	3.0
223.13344	3.5
225.14908	3.8
229.19524	1.1
237.14877	39.3
241.14421	3.7
247.20575	1.7
251.16602	1.3
257.19037	1.8
260.20358	1.0
275.20087	30.8
293.21127	100.0
294.21548	2.0
311.22180	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.31242	0.5
54.65863	0.6
55.01863	1.5
55.05514	8.8
57.03433	0.9
57.07078	3.5
67.05506	7.4
68.02545	0.6
69.03429	0.8
69.07078	3.1
69.58953	2.7
71.04963	0.7
71.08632	8.8
71.88815	0.6
79.05488	5.1
81.06660	0.7
81.07065	7.5
83.04974	1.9
83.08642	3.1
91.05479	3.5
92.78085	0.6
93.07047	3.8
95.04959	2.4
95.08627	4.4
97.06498	1.2
97.10178	5.2
98.21466	1.2
99.08081	4.2
100.78133	0.5
101.42000	0.5
105.07029	4.0
107.04920	2.2
107.08606	4.2
109.06537	1.1
109.10148	2.4
111.04432	2.0
111.08049	0.6
117.06993	1.6
119.08575	1.7
121.06499	2.7
121.10144	1.9
125.09625	1.8
131.08582	1.7
133.10123	1.8
135.08034	1.2
137.09612	0.9
141.09094	0.7
145.10118	1.5
147.11703	1.2
149.09718	1.0
151.11153	1.0
153.05476	1.3
159.11662	0.8
163.11232	1.0
165.12744	2.5
177.12758	0.9
181.05000	0.7
181.12227	1.3
189.11208	1.3
191.10709	1.1
195.13800	0.8
209.11726	8.9
233.15396	0.7
237.11208	7.7
237.14748	0.6
247.20587	1.1
255.12271	2.3
267.63824	0.7
275.20050	6.6
293.21115	100.0
294.21423	0.9
311.19034	0.7
311.25928	1.3
319.49301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.05256	2.3
53.03943	4.6
55.01870	4.4
55.05515	18.1
57.03423	3.2
60.96822	2.4
67.05177	3.9
67.05511	47.7
69.07069	16.2
71.04996	3.2
71.18902	6.3
79.05499	28.5
81.03457	2.8
81.07056	44.8
83.04971	5.3
83.08612	10.7
91.05484	27.1
93.07054	32.0
95.04996	6.3
95.08623	37.3
97.06531	10.1
97.10164	9.8
105.07043	30.8
107.04888	3.0
107.08586	27.4
109.06506	5.7
109.10165	26.2
111.08016	2.7
117.07000	4.5
119.08588	26.2
121.06515	5.9
121.10183	14.5
123.08108	7.1
123.11707	2.6
123.66354	3.7
125.09627	8.9
131.08533	13.1
133.10133	29.5
135.08055	8.8
135.11679	10.2
137.09616	6.9
145.10115	18.2
147.11707	17.6
149.09631	12.9
149.13219	3.1
151.11118	3.9
155.10651	3.2
157.10074	3.0
159.11728	9.3
161.13226	4.5
163.11179	7.3
169.10201	2.5
171.11705	3.0
173.11774	5.4
173.13225	5.9
189.11221	5.0
191.49060	2.8
213.16373	3.6
229.19542	4.1
235.16884	4.1
239.17923	6.9
247.20799	3.3
257.19022	14.0
265.21658	6.4
275.20084	100.0
293.21054	24.9
311.22229	3.6
320.80655	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01874	4.2
55.05525	15.6
55.05725	2.6
63.83441	2.9
67.05511	41.6
69.07074	12.4
69.58131	3.0
69.81934	13.4
69.94371	2.7
70.13816	3.1
79.05501	33.6
81.03423	3.4
81.07063	45.9
83.04955	4.6
83.08621	6.7
85.06544	4.7
91.05479	33.8
93.07045	46.2
95.04979	6.9
95.08622	34.2
96.20847	3.3
97.06545	6.9
97.10175	4.5
98.21436	4.0
105.07042	40.1
107.04893	3.3
107.08601	22.5
109.06538	7.4
109.10137	14.1
117.07030	12.5
119.08587	38.0
121.10138	21.4
123.08088	6.1
123.11694	3.8
125.09634	5.7
129.07005	4.5
131.08559	19.6
133.10127	32.2
135.08064	6.7
135.11676	10.9
137.09651	3.8
143.08542	4.1
145.10103	19.7
147.11703	16.2
149.09637	8.3
149.13257	7.4
151.11186	3.6
157.10161	4.8
159.11708	14.4
161.13217	6.1
163.11194	7.6
171.11644	6.6
173.13307	8.9
177.12775	3.5
183.11800	3.5
185.13185	3.5
193.04921	3.3
219.17493	3.2
229.19533	3.2
235.16957	12.6
239.17986	6.6
257.19055	13.8
265.21628	4.3
267.88364	2.8
275.20065	100.0
293.21140	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	311.2219
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.69046	1.7
53.03956	2.9
55.01872	5.8
55.05514	17.8
57.03436	2.3
57.07080	12.7
58.24865	2.2
63.53215	1.7
67.05508	35.6
69.03422	4.9
69.07070	8.3
69.70776	5.4
69.71185	4.4
71.05002	12.2
71.08642	17.0
79.05502	7.1
81.03436	4.8
81.07058	17.5
81.12327	1.7
83.04981	8.7
83.08617	4.9
85.02914	14.7
85.06559	1.9
91.05492	14.9
93.07057	23.7
95.04974	14.0
95.08615	92.0
97.06555	2.6
99.04472	3.6
99.08111	14.4
101.06031	3.8
105.07027	5.6
107.04965	4.2
107.08576	6.6
109.06522	4.4
109.10164	30.1
109.77528	1.6
111.04439	11.7
113.06001	4.1
117.06985	2.7
119.08592	17.7
121.10190	4.3
123.08041	12.5
127.11192	4.9
131.08575	4.5
133.10141	20.0
135.11707	5.9
137.09619	19.0
145.10139	3.2
147.11696	2.9
149.09604	2.8
151.11201	21.5
153.05519	2.1
155.10683	70.6
159.11717	4.2
161.09605	3.8
163.11203	5.4
163.95976	2.1
177.12820	7.2
179.10638	1.8
181.12302	2.6
183.13857	3.7
187.11185	2.1
191.10632	3.5
193.04959	2.8
209.11743	29.0
223.13354	5.5
229.19478	5.2
237.11253	23.3
247.20599	7.0
251.20056	11.9
255.12320	7.0
257.19009	4.8
265.21631	3.1
275.20081	24.4
293.17917	4.0
293.21124	100.0
296.15527	2.0
311.24847	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
50.41602	1.5
53.03958	8.5
54.31712	1.4
55.01869	4.4
55.05281	1.7
55.05519	25.3
55.75578	1.3
57.03446	3.1
57.07075	4.6
62.73932	1.4
63.81173	1.6
67.05181	2.5
67.05508	31.9
69.03436	4.8
69.07071	8.5
69.26094	13.6
71.08637	4.3
75.99435	1.4
79.05492	12.0
81.03426	31.3
81.07068	19.1
83.04978	4.3
83.08627	10.6
85.06538	3.9
89.12669	1.6
91.05499	10.7
93.07043	11.1
95.04974	16.0
95.08614	13.2
97.06547	1.5
97.10183	17.0
99.08079	3.2
105.07037	5.2
107.04959	5.4
107.08633	8.4
109.06512	2.6
109.10158	21.0
111.04380	1.5
117.07040	1.8
117.84956	1.8
119.08601	11.4
121.06491	5.3
121.10139	5.7
125.09634	12.3
131.08591	2.4
133.10092	2.1
135.08072	2.4
137.09634	47.7
139.11217	2.3
149.09634	4.1
155.10666	5.1
163.11133	3.6
165.09126	2.9
173.11749	5.7
173.13229	2.1
177.12674	1.9
189.11351	7.5
201.06439	1.7
209.11717	4.5
220.47969	1.6
223.13361	1.9
229.19331	1.8
237.11270	3.5
240.58269	1.8
247.20676	2.1
257.19046	1.8
275.20062	26.4
293.21133	100.0
311.25522	3.0
327.87552	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
53.03944	0.7
55.01860	2.0
55.05273	0.7
55.05517	10.3
57.07074	2.3
63.09032	0.4
63.20646	0.4
65.03947	0.4
67.05507	6.2
69.03426	1.5
69.07073	4.6
69.32641	3.7
71.04981	0.8
71.08636	8.1
79.05494	4.7
81.03418	1.2
81.07066	6.5
83.04973	1.9
83.08631	6.0
85.06531	0.5
90.98193	0.4
91.05492	2.9
93.07050	3.7
95.04980	2.4
95.08614	3.4
97.06551	0.9
97.10178	8.4
98.20762	0.8
99.08093	5.6
105.07030	1.8
107.04980	2.3
107.08593	4.3
108.05708	0.8
109.06520	1.4
109.10167	1.7
111.04458	1.9
111.08092	0.9
111.54308	0.5
117.07018	0.7
119.08563	1.3
121.06504	4.2
121.10169	0.9
123.08118	0.5
125.09636	5.9
129.07088	0.5
131.08565	0.5
133.10147	1.1
133.85539	0.4
135.08035	0.6
135.11708	0.9
137.09653	0.6
139.11151	0.5
145.10068	0.7
147.11723	0.7
149.09595	0.9
151.11203	1.7
153.05469	0.8
157.10150	0.8
159.11708	0.8
163.11237	1.1
164.12006	0.8
165.12766	0.7
167.10657	0.5
177.12683	2.2
189.11197	2.6
191.10832	0.7
193.12222	1.0
209.11752	5.2
211.13315	0.7
223.13438	0.6
229.19502	0.6
237.11244	4.6
237.14780	0.6
247.20645	1.4
255.12268	0.9
257.18924	1.4
265.21576	0.5
275.20108	5.6
276.20392	0.5
293.21118	100.0
294.21674	0.9
311.25983	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.79290	0.9
55.01856	6.1
55.05511	14.2
57.07078	26.9
67.05506	9.6
68.99765	0.9
69.03435	1.5
69.07084	5.6
70.24532	3.9
71.01323	1.4
71.04984	1.2
79.05486	9.7
81.03421	2.0
81.07047	8.0
83.04976	12.8
83.08620	9.6
85.02914	2.1
85.06528	1.2
91.05482	5.9
93.07053	10.1
95.04971	17.3
95.08595	5.6
97.06514	3.5
97.10176	6.9
99.04436	2.4
105.07020	7.2
107.04952	4.5
107.08596	13.1
109.02884	3.9
109.06518	1.9
109.10143	4.7
111.04446	28.1
111.08050	3.4
117.07041	1.7
119.08595	4.9
121.06521	1.5
121.10180	6.7
123.08086	2.0
125.06010	8.9
125.09618	8.3
127.07519	1.3
127.66035	0.9
131.08559	4.3
131.31204	1.0
133.10107	3.4
135.04451	2.9
135.08043	2.1
135.11690	3.9
137.09650	1.7
145.10139	8.9
147.08069	2.4
147.11681	2.8
149.08080	0.8
149.08493	1.2
149.09625	11.6
151.11232	1.1
153.05481	19.4
153.09090	1.4
153.12738	1.7
155.12337	0.9
159.11790	1.9
163.03949	2.1
163.11186	13.7
165.09058	1.4
171.11920	1.1
177.12895	1.3
181.04929	5.3
181.12242	10.0
187.11105	1.4
189.11238	8.3
191.10678	11.6
193.08585	1.7
199.53435	1.1
205.12222	1.4
209.11734	100.0
211.13347	1.3
219.10184	1.7
223.13286	24.8
229.19455	1.2
237.11224	85.1
255.12288	24.0
257.19031	2.7
268.17142	1.3
275.20044	25.6
293.17459	8.8
293.21100	29.2
311.18497	10.0
311.22159	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	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03932	3.4
55.01873	9.1
55.05516	23.0
57.03436	6.9
57.07078	30.0
67.05513	36.2
69.03437	4.4
69.07065	19.8
70.06591	4.5
70.95866	5.5
70.96208	4.1
71.04983	4.8
71.08623	4.1
79.05502	26.8
81.03397	4.1
81.06599	3.3
81.07060	45.6
83.04966	13.3
83.08620	13.4
91.04953	5.3
91.05471	31.4
93.07039	32.1
95.04950	10.4
95.08607	31.5
97.06525	10.7
97.10155	6.1
99.08074	4.3
105.07038	27.4
107.04947	7.1
107.08597	22.9
109.02930	3.4
109.06512	6.8
109.10200	14.2
111.04454	19.4
111.08076	7.1
117.06992	12.0
119.08585	20.4
121.10151	19.8
123.08049	5.3
125.05988	5.3
125.09652	5.0
131.08572	15.1
133.10132	23.1
135.04442	3.5
135.08113	4.4
135.11690	9.8
137.09596	3.5
139.11154	5.9
143.08533	4.8
145.10150	13.6
147.11710	12.4
149.02386	5.1
149.09607	8.5
149.13284	4.2
151.11221	4.7
153.05505	19.1
157.10168	4.7
159.11682	11.2
161.13248	6.0
163.11201	10.2
171.11665	4.8
173.13264	5.2
177.12686	3.4
181.10036	3.0
181.12239	8.6
187.14799	3.1
191.10658	11.5
193.04996	12.8
200.20189	3.2
203.12756	4.2
209.11748	100.0
223.13379	4.1
237.11237	78.2
239.18146	7.1
255.12318	20.8
257.19028	7.3
275.17285	5.5
275.20050	57.8
277.83289	3.1
293.17377	7.5
293.21078	27.8
311.18597	8.2
311.24652	19.0
311.74637	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03951	13.9
55.01883	12.4
55.05519	48.5
56.06937	2.5
57.03439	5.8
57.07071	9.1
67.05509	68.4
69.03421	8.6
69.07075	21.2
69.25948	23.0
71.04992	4.6
79.05496	29.9
79.57915	2.3
81.02988	4.2
81.03428	50.7
81.07069	38.3
83.04987	12.7
83.08622	20.2
85.06551	3.6
91.05489	23.5
91.27634	2.6
93.07045	30.8
95.04980	24.9
95.08617	24.0
97.06524	5.2
97.10189	16.6
105.07057	13.7
107.04953	12.6
107.08600	15.0
109.06519	11.0
109.10165	30.3
111.04453	3.8
117.07023	6.5
119.08607	18.8
119.11520	2.7
121.06497	6.9
121.10154	10.2
123.08064	5.6
123.11723	4.0
125.09663	16.0
131.08574	11.9
133.10179	12.4
135.08012	6.9
135.11707	5.6
137.09630	71.3
145.10143	7.3
147.08011	3.3
147.11647	5.9
149.09641	6.2
149.13194	4.7
149.54771	3.0
151.11194	6.0
155.10687	10.0
159.11646	4.9
161.09590	4.0
161.13327	3.6
163.11214	6.3
165.09145	4.3
165.12779	2.8
173.09636	4.3
173.11746	13.4
173.13148	4.4
189.11162	7.1
209.10072	3.0
209.11687	16.8
223.13370	5.2
229.19733	3.4
237.11218	9.4
237.14873	4.0
247.20386	2.7
255.12067	2.9
255.17842	2.7
257.19049	7.7
265.21399	2.5
275.20084	100.0
293.21143	65.2
311.22424	3.1
311.25754	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	311.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63932	0.4
53.03943	0.9
55.01860	1.0
55.05511	41.7
57.03439	16.6
57.07076	18.2
59.04993	0.6
67.05508	6.4
69.03423	0.4
69.07068	45.0
69.43675	2.8
71.04977	0.7
71.08630	12.1
73.02908	1.5
74.20789	0.4
79.05485	5.1
81.07051	9.1
82.27593	0.4
83.04965	0.5
83.08618	41.4
85.06525	0.7
85.10182	4.7
91.05467	0.7
93.07038	4.7
95.08604	6.4
97.06523	3.1
97.10170	27.7
101.06046	0.4
105.07001	0.7
107.08589	3.6
109.10150	2.9
111.08073	1.7
111.11724	9.3
115.07565	0.5
121.10144	4.5
123.11698	1.7
125.09642	1.5
125.13264	1.5
127.75898	0.4
129.05426	0.6
133.10129	0.8
135.04370	0.9
135.11702	4.6
137.13255	0.5
139.11171	0.9
149.13242	2.4
153.12718	0.5
163.14774	1.0
177.16377	0.6
219.21120	1.3
237.22150	0.9
258.84781	0.4
271.06714	0.4
293.21100	0.6
311.25800	100.0
312.25980	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2369
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03935	7.0
53.68974	1.9
55.01872	3.2
55.05510	26.2
57.03432	5.4
57.07080	14.9
57.89464	1.7
67.05510	44.8
69.03434	2.2
69.07071	58.6
71.04968	3.6
71.08614	2.6
79.05495	28.4
81.03415	5.6
81.07060	43.7
83.04979	4.3
83.08627	14.5
91.05489	43.3
93.07049	98.2
95.04379	3.9
95.04974	64.7
95.08609	100.0
97.06528	35.3
97.10175	7.0
98.21629	3.2
103.05451	3.1
105.00568	1.8
105.04520	2.3
105.07037	73.3
106.54836	1.9
107.04940	2.3
107.08595	55.6
109.06525	13.0
109.10154	37.0
111.04428	4.5
111.08085	2.3
111.11731	2.2
115.05453	4.5
117.07035	18.0
119.08589	71.4
121.06510	21.9
121.10149	52.4
123.08080	22.4
123.11713	17.3
128.06223	2.6
129.06967	6.5
130.07790	5.2
131.08566	23.6
133.06494	2.1
133.10143	42.4
135.04410	14.1
135.08083	12.8
135.11685	17.8
137.09599	6.5
137.13286	6.1
141.06975	2.1
142.07799	9.9
143.08543	15.0
144.09358	4.0
145.06502	2.7
145.10127	40.9
147.11687	27.5
149.09630	5.4
149.13234	6.7
153.05481	2.8
155.08504	4.4
156.09325	5.7
157.10144	30.9
159.08087	5.0
159.11690	50.8
161.09613	18.6
161.13252	11.7
163.11174	6.8
163.14815	4.4
166.61855	1.8
169.10104	9.5
171.11681	15.3
173.09590	2.3
173.13275	10.9
175.14813	12.0
177.16394	22.7
181.10069	4.8
182.10896	3.0
183.11687	2.5
185.13266	10.6
187.11215	4.2
187.14844	6.7
188.15547	2.1
189.12648	3.2
189.16409	14.4
191.17899	2.8
193.10194	1.9
195.11694	3.4
197.13275	8.6
198.14009	2.1
199.14861	6.9
201.16406	9.2
203.18001	4.7
209.11736	13.3
209.13440	3.7
209.19411	2.4
211.14763	7.3
213.16345	7.3
215.17966	7.7
219.17407	4.9
223.14871	7.4
225.16519	2.5
227.17902	2.5
237.11224	18.3
237.16388	5.0
239.17952	2.8
241.15863	2.4
241.19609	2.0
255.12288	5.8
255.17603	2.9
255.21037	6.7
267.21133	5.4
293.22601	7.3
311.16351	5.7
311.23340	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	311.2581
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03946	0.9
55.01863	1.8
55.05516	40.2
56.82991	0.5
57.03442	17.0
57.06791	1.0
57.07079	20.3
59.04993	0.5
67.05512	6.2
67.86557	0.5
69.07072	48.4
69.81507	2.6
71.04998	0.5
71.08638	11.9
73.02922	1.3
75.04478	0.5
79.05483	3.8
81.07062	7.4
83.04976	0.8
83.08626	39.1
85.10184	4.1
87.52248	0.5
91.30203	0.5
93.07034	4.4
95.08619	6.1
97.06541	3.4
97.10178	29.2
97.43189	0.5
98.20741	0.6
107.08613	3.8
108.45744	0.5
109.10135	1.8
111.08101	1.9
111.11732	8.4
115.07633	0.8
119.26978	0.6
121.10139	5.1
123.11685	1.1
125.09650	1.5
125.13293	2.5
133.44002	0.6
135.11697	4.7
135.96573	0.5
139.11214	1.2
146.74648	0.5
149.13283	1.7
163.14833	1.1
167.14388	0.6
181.15874	0.6
219.21082	1.9
237.22168	0.8
306.68820	0.6
311.25818	100.0
312.26141	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	15.2
55.05315	1.8
55.05516	20.0
57.03435	4.6
57.07065	8.5
67.05178	2.9
67.05511	36.4
69.03419	2.3
69.07066	24.9
71.04996	3.2
71.08637	100.0
71.17161	4.4
79.05139	2.0
79.05504	22.7
81.06586	3.5
81.07060	53.8
83.04982	6.1
83.08620	19.0
91.05489	14.6
93.07052	22.2
94.54038	1.9
95.08611	41.5
97.06536	7.8
97.10157	6.2
99.08099	85.4
105.06997	14.8
107.08591	17.3
109.06539	2.7
109.10165	18.0
111.08054	5.5
113.09653	3.1
119.08586	10.8
120.70113	2.1
121.10140	16.6
123.08051	3.5
123.11708	7.6
125.09615	2.8
127.11240	4.6
131.08563	9.1
133.10121	2.7
135.04424	9.2
135.11732	13.6
137.09616	3.3
137.13246	4.9
145.10165	6.1
146.08716	2.2
147.11702	47.4
149.09700	3.8
149.13260	6.3
151.14803	3.5
153.12781	21.0
155.10654	1.8
159.11723	3.5
161.09578	8.5
161.13266	5.6
163.11212	10.3
163.14796	11.8
165.12735	9.7
167.14351	6.6
173.13219	5.6
180.39798	1.9
181.15886	11.4
185.59122	2.1
187.14870	2.7
191.14397	2.7
209.11739	7.5
233.22610	7.5
237.11276	6.4
243.21112	22.2
251.23643	5.1
255.12158	2.1
261.22128	23.3
265.90652	2.1
279.23215	91.8
294.61099	1.9
306.36951	1.9
311.16354	6.5
311.25812	13.2
312.26031	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03946	0.9
53.22319	0.6
55.01867	1.2
55.05516	46.9
55.57766	0.6
57.03160	0.8
57.03443	18.7
57.07082	20.7
63.93510	0.6
67.05507	7.7
69.07075	50.3
69.33866	1.2
69.34286	3.3
71.04990	0.6
71.08639	11.7
73.02924	1.2
75.04457	0.9
79.05493	4.6
80.42316	0.6
81.07060	9.1
83.04967	1.2
83.08626	44.4
85.10191	5.8
93.07051	6.8
95.08605	5.9
97.06537	4.1
97.10175	30.1
107.08605	4.1
109.10161	2.4
111.08060	3.1
111.11727	8.2
121.10142	5.9
123.11728	1.2
125.09660	1.4
125.13275	2.1
130.91356	0.5
135.11710	3.7
137.13278	1.0
137.61774	0.6
139.11208	1.6
142.80862	0.6
149.13289	2.4
158.15300	0.6
163.14854	1.0
167.14211	0.9
177.16379	0.9
201.00520	0.6
202.89342	0.7
219.21130	2.0
227.55991	0.7
237.22220	1.1
254.45392	0.6
311.25827	100.0
312.26221	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28341	0.3
55.05510	0.4
68.05031	0.3
69.07084	1.9
70.06595	100.0
70.40953	1.0
72.04500	0.8
80.05014	0.3
85.02917	0.5
97.06559	0.7
100.03979	1.7
115.07589	3.5
116.07095	7.7
116.07848	0.5
125.71749	0.3
127.08717	0.5
128.07120	0.4
133.08641	1.2
142.14162	0.3
156.38429	0.3
162.05493	0.8
180.08890	0.4
197.09239	7.7
197.11076	0.5
204.10396	0.7
213.12352	31.4
250.10786	1.5
305.05551	0.3
312.15216	0.7
312.33060	0.5
321.83096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.1
53.42054	1.1
55.01869	2.0
55.05501	1.6
57.03428	5.2
61.02924	8.1
61.73824	1.1
69.03433	18.1
69.07075	10.3
69.97136	4.7
70.06594	2.5
71.04980	1.9
73.02908	4.8
79.05487	1.3
81.03421	6.9
84.08134	1.4
85.02910	100.0
86.09706	2.7
87.04454	3.5
87.08112	17.7
88.03973	1.3
88.94315	1.1
91.03958	7.6
97.02897	23.5
98.10691	1.2
99.04446	4.3
105.09167	2.4
109.02892	9.7
115.04004	1.4
127.03922	28.0
127.17762	1.0
131.04916	1.6
133.08606	5.0
145.04962	57.1
151.03911	16.1
151.07368	1.5
162.05447	2.5
163.06010	10.1
169.04919	1.4
189.00752	1.3
204.10182	2.8
210.05849	1.2
225.02184	1.5
239.51378	1.2
243.03238	2.1
250.10818	6.1
268.15579	1.3
283.78467	1.2
289.03622	1.6
294.13361	1.9
312.10715	1.5
312.17972	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	312.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
55.05498	3.8
56.05030	1.0
59.04147	1.0
64.80334	0.9
67.05511	7.1
69.03441	4.8
69.07063	2.5
70.06602	2.1
71.03452	1.4
78.72303	0.9
79.05496	6.5
81.07066	6.9
82.06580	8.2
83.08604	1.9
83.38740	0.9
84.04514	11.0
85.02884	1.1
86.06067	14.3
86.06560	1.6
87.04469	12.6
91.05493	5.1
93.07066	6.9
94.07352	1.4
95.08600	3.2
96.04484	1.1
97.06555	1.1
97.10193	1.4
98.06046	7.7
98.97569	0.8
99.08060	1.0
101.45171	0.9
103.04718	1.1
105.07014	2.7
107.04928	1.3
107.08587	5.0
108.08153	1.9
109.06521	1.4
109.10151	3.1
110.05301	1.8
110.06050	33.1
111.08064	1.7
117.07031	3.5
119.08581	2.5
121.10162	4.0
122.06062	1.1
122.09669	2.7
123.04393	1.7
124.07611	4.3
131.08563	3.2
134.06012	0.8
134.09586	1.7
135.11667	3.7
138.09116	2.4
145.10124	11.0
150.09138	24.4
151.03900	1.2
152.10678	1.1
155.08562	3.8
162.09091	2.3
163.03854	2.1
163.11201	14.9
164.10684	1.2
166.08646	7.7
173.09641	9.4
174.09125	0.9
178.08635	66.5
179.09091	1.3
180.13853	7.9
190.12296	4.6
191.03400	1.3
191.10727	6.3
192.10202	2.7
198.14980	1.0
208.13336	21.8
220.16893	1.1
226.14619	1.7
228.91644	0.9
230.15463	7.7
240.13863	2.4
248.16440	8.0
252.95865	0.9
258.14920	29.8
260.72421	1.0
266.17511	15.5
276.15958	42.4
276.20575	2.4
277.10669	2.2
294.17053	14.8
312.06039	2.3
312.18057	100.0
313.06732	1.6
313.18356	1.6
328.94315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1806
Annotation	Phomaligin A
Peak:m/z	Relative Intensity
55.01876	2.0
55.05498	3.3
67.05239	0.7
67.05512	7.2
69.03431	5.5
69.07058	2.0
70.06591	1.7
70.64967	1.7
71.05019	0.8
78.89169	0.8
79.05498	8.5
80.04993	1.3
80.91787	0.6
81.03449	0.7
81.07065	9.5
82.06577	8.0
83.08610	1.1
84.04115	0.8
84.04517	8.3
85.06538	1.4
86.06068	22.9
87.04471	11.8
91.05469	4.3
93.07045	9.3
95.04943	1.8
95.08612	2.7
96.04491	1.8
96.08118	1.2
97.06528	1.9
98.06056	13.6
105.07021	2.9
107.04902	1.3
107.08598	6.3
108.08118	1.0
109.06520	1.5
109.10172	1.4
110.06049	29.3
111.08082	1.7
112.07586	1.2
117.07024	4.7
119.08578	2.5
121.06509	1.2
121.10143	6.7
122.05992	1.0
122.09660	1.6
122.10490	0.9
123.04408	1.2
124.07610	5.5
126.09171	1.8
129.06999	1.2
131.08536	2.5
132.08076	0.9
133.10103	0.9
134.05994	1.6
135.08054	1.3
135.11697	7.7
136.07585	1.3
138.09138	3.3
140.10706	3.1
145.06462	0.9
145.10126	20.2
147.11720	1.1
148.07590	1.4
150.09138	22.8
151.41989	0.7
152.10667	1.8
155.08559	4.4
162.09161	2.1
162.12715	1.4
163.11186	39.5
163.21336	0.8
164.06956	1.1
164.10733	1.6
165.35338	0.7
166.08647	8.3
173.09634	8.1
174.09174	3.5
178.08636	62.7
179.08934	0.9
180.13892	5.3
190.12288	4.4
191.10683	8.0
192.10254	2.7
202.15944	1.0
203.72406	0.7
205.08406	1.1
206.15341	0.9
208.13318	24.1
216.13812	0.8
220.13330	0.9
220.16936	1.6
226.14375	1.7
230.15395	15.7
240.13809	2.3
248.16435	15.0
249.11220	1.2
250.18375	1.3
258.14886	28.8
261.12964	0.8
266.17514	48.9
270.63110	0.8
276.15964	44.1
276.20544	1.9
284.18658	1.3
294.13751	1.1
294.17010	22.3
312.18036	100.0
313.06998	1.7
313.18594	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70488	5.5
54.72222	4.6
55.05493	19.7
57.03426	9.3
57.07065	22.7
60.08150	6.1
67.05510	31.7
68.05838	12.3
69.07068	23.1
70.07400	9.0
71.08634	100.0
72.08964	23.9
73.58329	5.5
74.77854	5.2
79.05483	17.7
80.05815	6.4
81.07065	40.9
82.07378	16.6
82.55982	4.8
83.04912	4.8
83.08603	14.8
84.08957	7.4
91.05489	10.7
93.07069	12.5
94.07359	10.8
95.08613	32.7
96.08936	13.3
97.06512	6.3
97.10154	9.0
97.86377	4.6
98.06815	4.9
99.08093	70.2
100.08443	36.5
105.07038	6.7
106.07417	9.0
107.08573	10.7
109.10146	10.4
110.10493	6.0
111.08058	5.5
112.04084	6.0
118.07127	5.2
119.08596	9.0
119.76067	5.0
121.10114	6.3
122.10455	9.1
123.11642	7.7
135.04414	6.6
136.12010	9.7
147.11665	19.1
148.12041	29.7
153.12720	11.6
154.13144	7.1
161.13290	5.1
162.09937	4.9
162.13614	5.1
163.14751	9.0
164.15112	7.0
165.12758	6.2
166.13095	10.0
182.16203	9.2
197.43782	5.4
244.21477	25.5
249.99449	5.0
261.53412	6.0
262.22479	27.2
280.23563	95.4
312.16602	9.8
312.26025	18.6
312.32684	8.3
312.36130	42.7
313.27246	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	313.0707
Annotation	3-Hydroxy-4-methoxy-8,9-methylenedioxypterocarpene
Peak:m/z	Relative Intensity
50.01586	0.3
51.02383	0.6
53.03948	0.8
55.05502	1.2
57.00677	0.3
57.03434	0.3
57.07072	0.4
62.66636	0.3
65.03957	0.4
67.05510	2.4
69.03429	0.5
69.07059	1.3
69.35484	2.3
69.51300	0.2
70.06574	0.3
71.08630	0.4
75.14637	0.3
77.03925	2.4
79.05506	2.3
81.03421	1.5
81.07064	2.5
83.04974	0.5
83.08586	0.4
88.11250	0.5
89.03912	3.9
91.05485	3.0
93.07043	0.7
95.04970	2.5
95.08611	1.1
97.06516	0.7
98.09695	0.7
99.08096	0.4
99.39405	0.4
103.05437	0.4
105.03388	3.1
105.04495	0.6
105.07027	0.7
107.04954	1.5
107.08600	0.7
108.82207	0.3
109.02885	1.1
109.06440	0.3
109.10162	0.8
111.04460	0.6
112.02778	0.3
116.10731	0.5
116.69792	0.3
117.03393	3.6
117.06994	0.4
117.98496	0.3
119.04910	0.4
119.08601	0.6
121.10166	0.8
123.04435	100.0
123.11675	0.7
129.03322	0.3
129.07034	0.6
131.04956	0.7
131.08560	0.5
133.02856	7.1
133.10164	0.6
135.04428	12.7
135.11670	0.4
137.02367	2.5
143.08580	0.5
145.02864	2.5
145.10132	0.4
147.04362	0.6
151.03902	5.2
152.04732	0.5
155.08513	0.6
157.10143	0.6
159.11653	0.4
161.09633	0.4
163.03915	13.0
165.07004	1.0
167.08623	0.5
169.10114	0.3
170.15411	1.8
171.08112	0.3
173.02310	0.4
175.03940	2.5
181.10088	0.7
187.03925	1.8
191.03403	76.8
192.03763	0.4
193.06509	0.5
197.05986	0.5
198.14885	3.9
201.08952	0.4
203.03569	0.4
204.04198	3.0
205.05026	1.0
211.07596	0.5
221.06012	1.9
223.07576	0.6
226.06186	0.4
226.14348	1.2
229.08591	0.7
239.07008	0.8
241.08694	1.4
243.10213	0.7
249.05450	1.6
253.15718	0.4
267.06519	2.7
267.13873	0.8
267.17429	0.5
283.16925	0.6
285.07639	0.4
285.14819	0.6
285.18192	0.3
295.05978	3.7
295.13321	0.6
295.16867	0.8
313.07062	89.6
313.17557	2.3
313.24173	0.6
314.07446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03191	0.3
53.03957	1.4
55.01871	1.0
55.05511	0.5
57.03438	0.7
58.18643	0.2
58.92847	0.2
65.03942	3.4
65.46732	0.2
67.05501	1.8
69.03048	0.3
69.03429	4.3
70.86026	0.5
71.04971	0.4
72.34442	0.2
73.02887	0.4
79.05479	0.4
81.03425	7.3
81.07048	0.7
83.08607	0.3
85.02919	4.7
91.05492	0.4
93.03414	3.3
93.07024	0.4
95.03405	0.2
95.04976	0.8
95.08578	0.3
97.02908	1.7
99.04469	1.1
105.07023	0.3
107.08537	0.3
108.02111	1.5
109.02876	3.1
110.03674	0.7
111.04453	3.2
119.95641	0.3
120.08138	0.6
123.04413	0.6
125.06000	3.1
127.03944	1.5
131.08559	0.3
135.04427	0.3
136.01572	0.6
137.02409	0.3
141.05490	1.7
145.05013	0.3
151.03920	100.0
151.05008	7.4
152.04285	0.3
169.04988	5.8
197.06091	0.3
239.03404	1.5
253.04993	0.3
269.08115	0.3
295.08194	6.2
295.17328	0.2
300.70285	0.2
313.06900	1.2
313.09409	1.1
313.12662	0.4
313.17886	0.6
332.07693	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01862	1.1
55.05512	5.2
57.03426	2.2
57.07080	0.6
65.03945	3.2
67.05506	6.0
67.70367	0.5
69.03436	5.1
69.07053	2.0
69.81477	2.1
69.81886	1.5
71.04983	1.5
73.02933	0.9
79.05514	3.4
81.03425	9.6
81.07067	3.8
82.06577	1.3
83.04984	2.6
83.08611	2.9
84.04494	1.3
85.02915	4.5
86.06059	1.3
86.30867	0.6
87.04480	1.4
87.84863	0.5
91.05485	4.0
93.03402	2.8
93.07042	3.1
95.04985	2.9
95.08604	3.9
97.02892	3.1
97.06527	1.8
98.06053	1.2
98.97600	1.1
99.04449	1.5
100.11260	4.5
105.07014	2.9
107.04964	3.0
107.08566	1.4
108.02092	1.5
109.02891	10.2
109.06486	0.8
109.10156	1.5
110.06023	2.3
111.04449	6.3
111.06353	1.0
111.08068	1.2
115.05483	1.1
116.01332	0.6
117.07030	1.5
119.08566	2.1
120.08112	0.8
121.06522	1.5
121.10144	0.8
123.04467	3.3
123.11694	0.8
125.05997	3.8
127.03918	2.1
128.06207	1.0
128.07079	0.7
129.06990	1.3
131.08548	1.1
133.02840	1.1
133.10147	4.0
134.10687	0.8
135.04417	1.0
135.08026	0.9
135.11671	0.7
137.02402	1.4
141.05495	1.5
141.06967	0.9
143.08568	2.7
144.13806	1.6
145.06505	0.7
145.10135	1.8
146.10486	0.7
147.04408	0.8
147.08037	1.1
150.09131	1.5
151.03915	100.0
151.04997	6.8
151.09479	1.6
153.05594	0.6
155.07031	3.1
155.08485	1.1
157.10162	1.7
159.07979	0.6
159.11746	0.7
161.09653	3.3
163.03931	1.8
164.11569	0.7
169.04965	5.0
169.10138	0.9
171.08063	1.0
171.11758	1.3
174.09953	0.8
177.12605	2.3
178.08728	2.9
179.08965	5.5
179.10501	1.0
181.10228	0.8
181.14206	0.7
182.15459	2.6
185.09593	0.7
189.09125	3.4
191.12376	2.1
193.12219	4.1
195.11719	0.7
199.17973	0.6
201.09015	0.7
207.10100	0.8
209.13641	2.1
209.16452	0.9
210.14928	3.4
217.12221	0.8
218.66187	0.7
221.06171	0.7
223.07498	1.0
225.11244	7.7
228.16086	0.7
231.15646	0.7
239.18004	0.9
240.67572	5.1
241.17657	0.8
249.05487	0.9
249.16608	1.0
255.13704	0.7
259.15240	3.3
267.13782	1.0
267.17682	2.6
271.20120	1.3
275.61887	0.6
277.16324	6.2
281.13840	1.7
285.07730	0.8
285.14957	1.3
285.18469	1.8
295.08203	7.6
295.17157	2.5
304.20828	0.9
307.43417	0.6
313.18481	16.4
313.27383	0.7
331.18976	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	313.092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.5
55.01863	1.3
55.05508	0.7
57.03424	1.0
57.23240	0.3
65.03939	3.1
67.05509	2.2
69.03436	6.0
69.07064	0.6
70.06592	0.5
71.01363	0.4
71.04985	1.0
71.51536	0.5
72.55963	0.3
73.02925	0.7
79.05499	0.7
81.03423	12.8
81.07064	1.4
82.58039	0.4
83.01324	0.3
83.04980	0.6
83.08626	0.6
84.04527	0.4
85.02910	6.1
86.09740	0.6
91.05476	0.6
93.03417	2.7
93.07055	1.6
95.01361	0.4
95.04974	1.6
95.08603	1.2
97.02887	2.5
97.06532	0.7
99.04468	1.6
103.05467	0.4
105.07025	0.7
107.08640	0.5
108.02079	1.5
109.02882	5.6
109.10133	0.5
110.03696	0.7
111.04449	3.3
119.08578	0.7
120.07247	0.7
120.08109	10.6
121.06459	0.5
123.04455	1.1
123.11694	0.5
125.06007	2.5
126.05583	0.4
127.03905	2.5
132.46724	0.3
133.02805	0.5
133.10118	0.5
135.08073	0.5
137.02293	0.3
141.05473	1.9
145.04921	0.4
147.11681	0.5
151.03914	100.0
151.04996	7.0
156.92204	0.3
163.03967	1.3
169.04980	4.7
193.12276	0.6
199.11292	0.3
205.06575	0.4
217.12230	1.0
221.06006	0.7
223.07491	0.7
235.13249	0.3
251.07089	0.8
253.14435	0.5
267.06638	0.6
283.06070	0.5
284.06833	0.9
295.08237	11.4
313.06754	6.4
313.15146	0.6
313.18518	0.5
313.27411	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11218	0.2
53.03952	1.7
55.01869	0.7
56.00331	0.2
57.03427	0.9
61.02910	0.2
65.03940	3.0
67.05499	1.4
69.03432	4.5
70.96074	0.6
71.01369	0.3
71.04990	0.6
73.02927	0.3
77.03915	0.2
81.03423	8.8
81.07069	0.3
85.02910	4.9
91.05484	0.3
93.03411	4.5
95.01357	0.3
95.04961	0.7
97.02911	1.9
99.04445	0.9
108.02094	1.7
109.02888	3.7
110.03676	0.7
111.04451	3.1
112.01585	0.4
120.08129	0.4
122.06006	0.4
122.68298	0.3
123.04421	1.1
125.05997	2.7
127.03905	1.3
136.01538	0.3
141.05502	1.5
149.08423	0.3
151.03915	100.0
151.04994	7.2
152.04248	0.2
163.03894	0.6
169.04956	5.4
197.10876	0.2
202.13748	0.3
208.89685	0.2
223.07596	0.2
225.10228	0.4
236.12688	0.3
264.15939	2.2
281.18683	1.2
285.12424	0.6
295.08163	10.2
313.09128	1.9
313.12375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24154	0.2
53.03951	1.5
55.01867	1.0
55.05507	0.8
56.96556	0.5
57.03434	0.9
57.07070	0.3
65.03941	3.3
67.05506	2.3
69.03432	4.1
69.07041	0.5
69.88982	1.2
70.06570	0.3
71.04990	0.7
76.73520	0.3
77.03896	0.3
79.05487	1.0
81.03425	8.5
81.07058	1.5
83.04962	0.3
83.08608	0.5
85.02910	4.5
85.06522	0.2
87.04527	0.3
89.03881	0.3
91.05476	1.3
93.03408	2.8
93.07039	0.9
95.01292	0.2
95.04971	1.1
95.08601	1.2
97.02879	2.1
97.06514	0.7
98.97584	0.8
99.04456	0.9
99.08009	0.3
100.11269	0.3
105.03387	0.5
105.04523	0.4
105.07058	1.2
107.04920	0.5
107.08614	0.8
108.02087	1.6
109.02891	4.3
109.06491	0.3
109.10151	0.7
110.03667	0.6
111.04449	3.6
111.08112	0.4
114.09080	0.3
115.05534	0.2
117.07034	0.5
119.08600	0.7
120.08072	0.3
121.04026	0.2
121.06560	0.3
121.10153	0.5
123.04433	4.9
123.11698	0.3
125.06014	3.9
125.09596	0.3
127.03902	1.4
129.06998	0.6
131.08607	1.1
133.02870	1.3
133.06439	0.2
133.10138	1.0
135.04419	1.6
136.01530	0.3
137.02370	1.1
137.06007	0.4
141.05452	1.6
143.08569	0.8
145.02824	0.6
145.10121	0.5
147.04399	0.4
147.08064	0.4
147.11693	0.3
149.06021	0.4
151.03915	100.0
151.04997	7.5
152.04373	0.3
155.08580	0.9
157.10153	0.6
160.05226	0.8
161.05930	0.3
163.03917	3.2
163.11243	0.3
165.07045	0.6
167.08618	0.5
169.04984	5.6
169.10225	0.6
171.11739	0.3
173.09621	0.4
175.11168	0.4
177.07045	0.6
179.08673	0.3
181.06499	0.7
181.10149	1.0
183.11803	0.3
185.09572	0.3
187.07565	0.4
189.09120	0.3
189.12695	0.3
191.03395	2.3
195.08073	0.5
195.11693	0.6
197.09625	0.3
197.13197	0.3
199.07527	0.4
201.09172	0.8
205.06421	1.7
211.07607	0.4
217.12332	0.3
219.09988	0.3
221.05992	1.2
223.07558	4.4
223.14853	0.3
225.09169	0.3
225.12732	0.4
233.06001	1.1
239.07159	0.3
243.06491	0.2
245.11932	0.3
249.05496	1.8
250.11522	0.3
251.07085	3.6
251.14201	0.2
253.04971	0.3
255.14119	0.3
267.06638	0.6
267.13852	1.0
267.17569	0.9
269.08099	1.8
271.06070	0.9
277.05084	1.0
281.13812	0.8
282.09485	0.3
285.14810	1.6
295.08447	6.7
295.17093	1.6
312.62433	0.5
313.06519	3.7
313.18060	5.6
313.21490	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01868	0.7
55.05511	0.7
55.16087	0.4
57.03441	1.0
57.07075	1.0
59.73491	0.4
65.03938	3.0
67.05495	1.9
67.29149	0.4
69.03430	4.6
69.07076	0.5
69.45682	2.3
69.46094	0.6
71.01359	0.4
71.05000	0.8
71.08629	0.4
73.02909	0.4
73.70480	0.4
74.09705	0.8
80.51308	0.4
81.03424	7.5
81.07075	0.6
85.02913	4.3
91.05489	0.7
93.03400	2.7
95.04954	1.1
95.08598	0.9
97.02891	1.5
98.21613	0.5
98.97580	0.6
99.04479	1.0
108.02110	1.6
109.02875	3.8
111.04459	3.8
120.44260	0.4
123.04406	0.7
125.06007	3.3
127.03909	1.8
141.05443	1.8
145.04933	0.5
151.03912	100.0
151.05005	7.6
157.60037	0.4
165.06697	0.6
169.04973	5.5
223.07686	0.5
240.08707	0.8
295.08252	6.3
313.09149	2.9
313.27353	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01861	1.0
55.05521	0.3
57.03431	0.7
57.07062	0.5
64.49923	0.3
65.03939	3.3
67.05499	1.3
69.03427	3.5
69.07052	0.3
70.06604	0.3
70.47409	0.6
71.04981	0.3
73.02920	0.4
79.05513	0.4
80.02588	0.3
81.03424	5.3
81.07062	0.6
83.04976	0.3
85.02908	6.1
86.09711	0.4
87.72120	0.3
91.05474	0.5
93.03414	2.8
95.04960	0.6
95.08566	0.4
97.02908	2.5
99.04452	0.9
108.02105	1.8
109.02878	3.6
110.03645	0.7
111.04441	4.3
112.01632	0.3
123.04417	0.6
123.08068	0.5
125.05985	3.4
127.03921	2.0
131.82791	0.3
136.01553	0.3
141.05473	2.0
145.04953	0.4
147.04343	0.3
151.03915	100.0
151.05000	7.5
152.04243	0.4
163.03979	0.4
168.04808	1.2
169.04965	5.5
169.08525	0.2
180.79337	0.2
192.04779	0.7
210.05850	4.7
210.07773	0.4
221.05942	0.4
269.08203	0.4
288.37262	0.2
295.08279	3.9
310.63342	0.2
313.09341	2.4
313.12787	0.4
313.27426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01876	6.3
55.05515	8.6
57.03440	12.0
57.07079	1.6
65.03918	1.5
67.05508	22.3
67.92030	1.0
69.03416	3.2
69.07074	9.2
70.06572	1.6
71.04999	9.3
71.08641	4.8
71.88513	0.9
73.02905	2.0
74.39532	1.1
77.03913	1.7
79.05149	1.0
79.05504	13.2
80.11975	1.0
81.03423	8.0
81.07066	22.2
83.04965	4.1
83.08620	5.8
84.04516	1.5
85.02888	1.7
85.06536	4.1
86.09660	1.0
88.11274	3.3
89.03898	1.8
91.05489	24.1
93.07045	13.4
95.04974	10.5
95.08611	17.8
95.60574	1.0
97.02888	11.6
97.06522	11.2
98.09698	5.1
99.08089	4.0
105.03371	3.3
105.07040	22.4
107.04961	22.6
107.08590	5.1
109.02890	61.0
109.06515	3.5
109.10164	7.0
110.10489	1.4
111.04459	6.5
111.08096	9.3
112.89399	1.0
113.02370	2.0
113.05998	2.8
115.03927	1.2
115.05427	1.5
116.10719	4.2
117.03346	2.7
117.07015	7.1
119.04927	2.0
119.08591	10.2
121.02831	2.0
121.06488	2.0
121.10139	3.3
123.04436	83.5
123.08055	1.4
123.11727	2.4
125.05955	1.6
125.09641	1.6
127.03936	2.4
128.06197	5.0
129.07030	2.6
131.08566	3.9
133.02866	4.6
133.06505	4.4
133.10138	26.3
135.04454	8.1
135.08035	1.7
135.11699	2.3
136.90565	1.0
137.02322	4.5
137.03302	1.0
137.05986	2.1
137.09608	3.0
138.09978	1.0
143.08574	12.6
145.02789	2.9
145.06528	4.8
145.10147	2.5
146.07341	2.0
147.04419	2.4
147.08046	2.8
151.03931	7.9
151.07651	1.1
151.11220	2.2
152.14238	1.1
153.06984	3.2
159.08029	1.3
161.08305	2.2
161.09628	40.5
163.03905	11.5
165.07010	1.4
170.14064	1.8
170.15402	14.2
171.08047	15.4
173.05922	1.0
179.10713	9.5
189.09120	38.9
191.03416	47.8
193.10449	2.5
193.12253	47.8
198.14908	26.9
199.88423	1.1
204.04204	1.4
207.10138	15.9
213.83855	1.1
221.05984	3.5
221.11691	2.0
221.15308	1.2
223.07570	1.7
225.11227	100.0
226.14398	11.6
239.12747	2.8
249.05443	1.6
251.07104	1.8
267.06564	2.6
267.17545	1.5
277.14227	5.1
277.21304	2.1
281.13849	6.8
281.17047	1.4
295.06119	3.7
295.15271	2.1
295.23383	1.6
298.42096	1.0
313.07062	59.7
313.16455	49.7
313.24634	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	313.1646
Annotation	Thymol glucoside
Peak:m/z	Relative Intensity
53.03952	5.5
55.01866	4.4
55.05513	6.0
57.03446	8.8
57.07067	3.6
57.10250	1.1
59.05001	2.0
61.02927	13.4
63.75845	1.2
65.03948	2.0
67.05508	25.8
68.71017	1.2
69.03435	34.3
69.07074	6.6
69.07369	1.1
69.21207	9.3
69.21606	2.4
71.04978	4.4
71.08638	1.5
73.02905	5.7
79.05495	7.9
81.03426	16.5
81.07065	30.5
83.01348	1.7
85.02912	100.0
85.06535	1.4
87.04457	5.2
91.03952	4.8
91.04911	1.7
91.05487	33.1
93.07047	9.0
95.04959	4.2
95.08623	6.0
97.02896	32.0
99.04453	6.7
105.07040	35.9
107.08599	7.0
109.02895	13.0
109.06537	1.3
109.10155	2.0
115.05485	1.4
117.07001	2.2
119.08595	3.0
121.10146	7.8
123.04425	1.5
123.08073	1.6
123.11710	22.6
127.03914	21.8
129.07018	1.2
131.08559	4.5
133.10144	41.7
133.46588	1.3
135.11705	3.9
136.06177	3.8
143.08508	1.2
145.04968	19.6
145.10155	1.6
147.11693	3.0
149.09662	2.8
151.03925	17.3
151.05009	2.5
151.07561	1.8
151.11192	89.1
159.11707	1.7
161.09619	1.6
163.11229	2.0
169.04996	1.8
175.11177	2.3
217.12216	1.2
223.07642	1.7
251.07106	2.8
277.14236	3.6
295.15375	4.4
313.16281	5.2
313.27295	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	313.2374
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03944	1.4
55.01876	1.2
55.05518	6.9
57.03430	1.3
57.07071	1.9
65.03949	0.6
67.05514	12.8
69.03424	1.3
69.07074	7.3
69.84553	0.9
69.84948	0.7
71.05007	2.7
71.08636	11.2
72.00442	0.3
74.88458	0.3
79.05495	8.3
81.03419	3.8
81.07068	9.6
83.04986	3.7
83.08623	2.4
85.02908	1.1
85.06558	1.1
85.47546	0.5
91.05486	4.9
93.07048	11.0
95.04984	6.7
95.08611	12.9
97.06519	2.7
97.10160	2.0
98.20810	0.4
99.08099	6.4
105.07041	2.7
107.08602	4.3
109.06525	1.6
109.10169	7.2
111.08091	0.9
117.07021	1.0
119.08583	3.8
121.10137	5.6
123.08063	0.5
123.11709	0.7
127.11190	1.2
129.07018	0.5
131.08546	1.0
133.10136	2.1
135.11682	2.3
136.93196	0.8
137.09621	5.0
138.07805	0.4
139.11195	1.1
143.08542	0.7
145.10149	0.9
147.11694	1.1
149.13268	0.9
151.11200	9.3
153.12766	0.8
154.94188	0.5
155.10666	0.9
157.10185	0.8
159.11662	1.1
161.13269	1.4
163.11229	1.1
165.12762	0.9
171.11728	0.6
172.95258	0.7
177.12782	0.4
179.14326	2.3
185.13321	0.5
189.12740	0.5
191.14227	0.6
193.15936	0.5
203.12746	0.9
221.15402	2.6
231.21024	0.5
249.22145	0.5
259.20703	0.8
265.01199	0.5
277.21649	30.7
295.22705	100.0
296.23087	1.3
296.77560	0.5
311.32184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
53.03935	1.5
53.63883	1.2
55.05516	10.8
57.03443	1.3
57.07084	5.1
61.96367	1.0
66.67439	0.9
67.05505	12.7
68.70419	1.2
69.07074	9.3
70.77409	1.2
70.77750	2.3
71.04987	1.8
71.08630	1.2
79.05490	8.5
81.03426	5.3
81.07060	14.1
83.04974	4.4
83.08613	4.0
85.02885	1.3
85.10187	10.8
90.73975	0.9
91.05482	6.0
93.07042	7.7
95.04978	9.2
95.08607	7.9
97.06580	1.6
97.10168	4.1
97.90075	0.9
99.08087	1.1
105.07027	6.4
107.04947	1.3
107.08589	7.6
109.06507	3.6
109.10166	10.9
113.09657	9.1
114.48572	1.0
119.08576	2.8
121.10146	3.8
123.08049	2.4
123.11685	2.3
125.09687	1.1
129.07053	1.3
131.08571	2.0
133.10185	5.4
135.11668	1.9
145.10135	1.8
147.11650	2.1
149.09624	1.8
149.13332	1.2
151.11203	3.6
161.13220	1.3
165.12775	12.8
169.12325	1.3
179.14322	1.4
277.18857	1.9
277.21655	30.1
277.24710	1.4
295.22702	100.0
296.23196	1.4
301.63828	1.5
313.21451	1.7
313.27209	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.17231	2.6
53.03934	5.1
55.01878	32.7
55.05265	4.9
55.05512	53.5
57.03428	7.8
57.07066	10.3
65.03957	2.8
67.05505	88.6
69.03425	9.9
69.07069	43.8
70.12308	12.8
71.04980	7.4
71.08636	27.1
79.05495	44.7
81.03420	10.1
81.07057	79.7
83.04984	11.1
83.08616	31.7
85.06545	6.5
85.10167	3.3
91.05485	28.3
93.07047	54.7
95.04958	11.6
95.08616	50.0
97.06534	22.4
97.10172	22.1
99.08104	17.5
105.07037	23.8
105.39431	2.8
107.05006	3.0
107.08595	35.8
107.36611	2.9
109.06509	6.5
109.10155	43.5
111.08063	16.2
112.69179	2.6
113.09679	5.4
117.06996	7.9
119.08617	21.6
121.10167	20.3
122.06020	6.6
123.04430	24.0
123.08072	10.5
123.11693	12.1
125.09647	16.0
129.07024	5.0
131.08574	8.6
133.02844	2.9
133.10164	19.3
135.11696	19.8
137.02255	3.1
137.09637	13.6
139.11180	26.0
141.31766	3.0
143.08627	4.2
145.10117	7.1
147.11688	21.6
149.09604	6.7
149.13260	23.2
151.11182	12.5
153.09161	3.5
155.10739	4.9
157.10184	3.3
159.11740	6.5
161.13272	18.4
163.03885	9.7
163.11194	7.9
163.14906	3.6
165.12715	13.6
167.14276	6.4
171.11691	7.6
173.11800	17.9
173.13118	5.4
175.11235	4.9
175.14838	5.6
177.12720	5.8
179.14301	7.0
181.12286	6.7
185.13367	3.8
189.11227	8.6
189.12802	3.5
191.03409	12.3
193.12274	4.2
195.13799	11.3
213.14818	5.8
221.15355	5.0
231.21008	5.7
241.19600	5.7
249.05626	2.8
249.22144	12.9
259.20618	16.3
266.28546	2.9
277.21643	100.0
295.05917	6.7
295.09103	2.9
295.22668	61.4
296.14047	5.3
313.07126	15.1
313.14346	7.8
314.15125	15.2
328.50577	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	313.2374
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
53.03942	5.6
55.01878	14.5
55.05514	52.5
57.03441	4.3
57.07065	7.6
62.44384	2.7
67.05505	63.6
69.07070	46.4
69.72065	18.3
70.04646	3.0
71.04984	7.9
71.08615	2.9
79.05499	42.5
81.06594	5.2
81.07062	98.4
81.07534	6.6
83.04979	10.7
83.08628	50.4
85.06548	9.3
91.05482	30.8
93.07047	62.2
95.04960	15.3
95.08611	74.2
97.06533	21.4
97.10171	7.8
98.20688	3.3
99.08121	16.5
105.07043	30.7
107.08610	36.9
109.06535	10.2
109.10164	24.7
111.08080	20.0
113.09659	6.0
119.08588	30.5
121.10149	29.4
123.08044	12.4
123.11710	6.0
125.09625	11.9
127.11168	4.8
129.07024	6.8
129.09137	25.7
131.08583	10.8
133.10118	22.4
135.11696	28.5
139.11169	5.9
141.09105	5.3
143.08551	5.7
145.10143	11.4
147.11699	35.3
149.09593	6.1
149.13263	27.1
151.11212	8.1
157.10101	8.5
159.10272	2.8
159.11720	8.4
161.13286	13.0
163.11188	6.8
163.14821	5.6
165.12766	10.0
171.11659	17.4
173.13275	8.1
175.11212	5.1
175.14822	5.4
179.14319	3.4
185.13301	4.9
187.14853	4.1
189.12706	8.7
195.13832	8.0
207.13837	13.3
210.12115	4.5
211.12416	3.4
225.14899	6.8
231.21080	4.3
239.11809	6.1
241.19551	5.0
249.22054	3.3
259.20554	11.9
277.21649	100.0
281.94281	3.0
295.22693	37.5
313.24039	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	313.2373
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03940	5.8
55.01879	29.4
55.05514	39.6
57.03427	5.4
57.07071	10.1
59.84898	2.3
65.31350	2.6
67.05510	52.0
69.03430	5.4
69.07072	49.2
70.04583	9.7
71.04987	7.7
71.08643	13.2
79.05499	37.6
81.03418	9.3
81.07056	53.4
83.04979	13.9
83.08618	14.0
85.06526	6.4
85.10191	3.2
91.05480	26.2
93.07055	53.0
95.04962	15.9
95.08620	50.6
97.06536	14.2
97.10172	26.9
99.08082	6.9
105.07032	23.3
107.08603	28.5
109.06512	8.2
109.10168	31.5
111.08095	5.6
113.09647	8.4
117.07018	6.6
119.08599	28.8
121.06497	6.2
121.10147	27.2
123.08076	9.5
123.11707	5.8
125.09646	24.5
127.11153	3.8
128.73320	2.9
129.06963	4.9
129.15706	2.9
131.08580	12.9
132.73784	2.7
133.10147	17.5
135.08064	4.5
135.11670	14.3
137.09642	13.7
139.11192	35.4
142.07695	3.4
143.08560	8.5
145.10133	19.9
147.08080	4.5
147.11688	12.4
149.09607	5.2
149.13284	7.6
150.39394	2.8
151.11194	10.2
153.12772	5.3
155.08592	3.1
155.10658	3.0
157.10147	13.1
159.11726	6.0
161.13268	7.7
163.14676	2.9
165.12743	6.6
169.10103	4.2
171.11707	12.0
173.09659	4.8
173.11852	4.3
173.13174	14.7
179.08600	2.7
181.10220	3.0
183.11763	4.9
187.14845	4.1
189.11188	6.9
195.11722	3.3
197.13193	3.4
199.14801	6.5
209.13243	11.0
211.14777	4.9
227.14348	3.2
231.21069	6.9
236.81433	2.5
241.19574	4.6
249.22112	11.4
249.57947	2.7
259.20627	7.2
277.21661	83.4
295.22772	100.0
313.17676	10.2
313.21585	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03946	4.3
55.01876	59.0
55.05280	2.2
55.05517	28.6
57.03432	2.4
57.07083	7.7
67.05191	1.9
67.05512	27.4
69.03415	3.7
69.07076	57.7
70.69819	2.1
70.70158	3.0
71.04980	3.4
71.08641	2.7
79.05499	19.9
79.31270	1.6
81.03425	10.2
81.07063	27.5
83.04994	14.3
83.08626	9.5
85.10184	2.7
91.05498	8.1
93.07050	23.6
95.04981	7.6
95.08618	17.8
97.06526	8.9
97.10161	10.9
103.42286	1.7
105.07026	8.5
107.08589	11.7
109.06510	4.6
109.10152	13.7
111.08002	1.8
111.11701	2.3
113.09623	2.0
117.06974	1.7
119.08602	9.2
121.06537	1.7
121.10155	13.2
123.08079	6.2
123.11706	2.4
125.09653	7.1
131.08525	2.2
133.10156	4.8
135.08072	2.3
135.11711	3.7
137.09618	4.5
139.11188	100.0
143.08594	2.6
145.10155	2.0
147.11708	5.4
148.85603	1.5
149.13255	1.7
151.11230	8.1
157.10091	4.2
161.13240	4.2
165.12746	6.8
167.14297	1.9
171.11694	3.3
173.13269	1.6
175.14816	1.8
176.84370	1.5
179.14250	2.7
181.12238	4.2
189.11209	2.6
193.15778	1.9
207.13719	2.5
231.21037	2.1
241.19609	3.5
249.22089	3.6
259.20612	4.0
277.21631	45.7
295.22650	31.6
313.17950	6.0
313.27438	4.4
322.66318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15066	0.5
55.01857	0.6
55.05516	6.7
56.05814	0.5
57.03157	0.8
57.03438	16.1
57.07079	47.3
59.58285	0.5
67.05183	0.7
67.05511	9.3
69.07073	7.5
70.87361	0.9
70.87688	0.5
71.05013	0.7
71.08634	30.1
71.83831	0.5
73.06498	0.5
75.04473	0.5
79.05470	0.5
81.06594	0.8
81.07059	12.5
83.08621	9.9
85.10183	15.5
89.06036	2.8
91.05460	0.5
93.07064	1.0
95.08611	16.4
97.06503	0.6
97.10178	4.8
99.11732	1.3
103.07577	2.0
105.75026	0.5
107.08588	0.6
109.10158	7.9
111.08144	0.6
111.11711	1.5
123.11720	4.1
125.13299	0.7
137.13303	1.1
139.14876	0.6
151.14738	0.9
165.16376	0.8
239.23688	3.0
257.24777	5.5
312.32309	0.5
313.27368	100.0
314.27682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29236	0.3
52.91383	0.2
53.03954	0.3
55.01870	0.7
55.44486	0.2
57.03447	1.2
58.93710	0.2
60.05922	0.3
61.01142	0.7
61.02922	0.9
67.05482	0.3
69.03436	4.2
69.85053	0.6
69.85448	0.6
70.06598	11.4
71.06938	0.3
72.08166	0.5
73.02920	1.1
75.02693	0.4
81.03418	0.8
81.07050	0.4
83.60970	0.3
85.02911	6.5
87.04466	0.5
88.03967	0.3
91.03979	0.3
95.06100	1.4
96.18211	0.2
97.02898	42.0
98.21492	0.5
99.04435	0.4
101.00876	0.8
108.08125	3.0
109.02921	0.3
109.66383	0.2
113.00900	0.3
113.03528	0.4
115.03922	0.5
116.07115	0.4
119.01879	0.8
119.03563	0.7
124.07612	0.8
127.03893	2.1
131.01906	0.6
136.06192	100.0
137.04561	0.5
137.05914	0.5
143.01663	2.9
145.03494	0.6
145.04951	1.0
148.06165	0.5
152.05830	0.4
152.07065	2.4
154.08595	0.3
155.01884	0.8
159.01340	0.3
161.02811	2.1
162.07787	0.5
164.05673	4.7
167.01965	0.4
173.02956	1.0
178.07234	2.4
178.28119	0.3
179.03740	2.3
182.06612	0.6
185.02979	0.8
186.06068	0.4
187.00793	0.3
187.55154	0.3
193.55096	0.5
201.02505	0.3
202.55545	0.3
203.04031	0.3
210.06183	0.3
211.14426	0.6
214.05634	0.3
214.55605	1.7
215.05727	0.4
215.55876	0.3
219.01974	0.4
223.56122	2.1
224.04234	0.3
224.06213	0.5
232.56624	0.6
242.05263	0.5
245.04965	1.2
248.07791	0.7
250.09311	0.7
254.05344	0.4
256.56027	0.3
263.05994	0.3
266.05106	0.6
270.21738	0.9
271.03131	0.4
272.06250	0.6
275.06134	0.3
278.07077	0.6
284.06119	1.0
285.06293	0.3
296.08163	3.8
302.06967	0.3
314.09088	11.1
314.12436	3.3
326.06955	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Heleurine N-oxide
Peak:m/z	Relative Intensity
55.05504	3.2
57.03421	1.0
67.05505	7.7
68.05035	0.8
69.03423	3.2
69.07056	2.7
70.06597	22.9
71.05000	4.5
71.51969	0.8
79.05498	7.2
81.03410	2.2
81.07063	8.7
83.04982	4.5
83.08607	1.9
84.04516	1.2
84.08150	1.7
85.02913	1.8
85.06544	1.5
86.06065	9.0
86.09711	1.5
87.04478	11.6
91.05489	13.8
93.07054	7.5
95.04967	9.7
95.08593	3.6
96.08100	0.7
97.06532	2.8
98.06068	7.0
98.97545	1.1
99.04476	0.8
100.29047	0.8
104.07114	26.2
105.07040	7.0
107.04964	6.7
107.08587	3.7
109.02889	1.1
109.06545	4.9
109.10143	1.3
111.04490	4.8
117.07066	1.8
119.08626	3.4
120.08120	1.4
121.08418	1.4
121.10146	2.9
123.04490	1.0
123.08089	1.2
124.07570	1.2
129.06281	0.7
129.07031	6.9
131.08571	5.2
133.06502	2.0
133.10138	8.2
135.08096	3.9
135.11697	1.4
137.09694	1.0
142.08690	1.0
145.10144	1.1
147.08113	1.1
147.11693	6.3
149.09610	6.1
149.96779	0.8
151.03908	5.5
151.11206	9.2
152.04225	8.3
157.10136	4.1
163.11191	1.3
165.12775	1.9
175.11197	8.0
181.12247	1.1
193.12239	9.2
211.13292	1.3
222.14992	1.1
224.07953	1.3
227.12656	0.9
236.16534	2.5
245.04771	1.4
250.05887	0.8
250.17938	1.2
254.17528	27.2
260.16394	4.2
278.17526	15.3
296.08606	1.2
296.18616	6.1
314.13736	2.5
314.19635	100.0
315.19925	0.8
315.23657	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08421	0.4
54.39896	0.4
55.05510	0.4
55.71075	0.4
57.07082	7.7
58.06597	0.8
62.06092	3.3
62.17302	0.4
69.07059	0.5
69.63541	0.4
69.92303	1.8
71.08620	3.2
72.08153	1.0
85.10189	1.0
87.04460	1.0
98.21487	0.5
156.17459	1.5
174.18561	4.6
184.20599	1.4
184.88226	0.4
187.54144	0.4
202.21654	4.8
296.33093	1.2
298.10760	0.4
314.13760	1.0
314.34167	100.0
315.34402	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1956
Annotation	Jatrophatrione
Peak:m/z	Relative Intensity
51.08623	2.1
51.92540	2.7
53.03942	2.6
55.05507	5.8
56.96550	2.7
59.04995	3.1
59.26061	2.2
66.07150	2.2
66.42951	2.2
67.05516	11.1
69.07050	9.2
71.21659	2.1
71.53155	3.8
73.00758	2.2
73.06528	2.2
79.05484	12.9
81.07064	16.3
83.04973	3.4
83.08631	3.9
85.06528	2.4
90.29819	2.3
91.05473	9.0
93.07059	16.6
95.04926	3.8
95.08614	12.8
97.06525	7.9
100.02991	2.1
105.07039	13.6
107.08617	14.1
109.02846	2.7
109.06528	3.7
109.10162	14.1
111.08074	7.2
113.16315	2.3
117.03364	3.4
117.07014	7.5
119.08573	16.6
121.10139	9.3
123.04433	4.5
123.08067	3.6
123.11638	3.0
128.06256	4.1
129.07005	10.1
131.08543	11.2
133.06531	3.0
133.10133	8.5
135.04379	10.8
135.08064	8.5
135.11685	6.2
137.09576	5.6
141.07005	4.4
142.07831	3.7
143.08577	11.4
145.02882	2.9
145.10150	10.3
147.11694	5.4
149.09637	4.0
154.07729	2.4
155.08565	7.5
157.10129	12.9
159.11710	9.8
161.05981	8.2
161.09570	3.9
163.03912	41.1
163.11218	4.0
167.08563	3.8
169.10162	8.0
170.10933	2.3
171.08035	2.7
171.11768	7.1
173.06053	3.7
173.09683	3.1
173.13292	5.0
175.11157	3.5
181.10150	5.4
183.11723	8.2
185.09630	3.7
185.13266	10.1
187.07593	4.0
187.11290	3.8
195.11691	5.6
197.13263	4.0
199.07518	6.3
199.11206	5.9
199.14882	3.2
201.09148	4.8
201.12746	2.9
203.10674	3.1
209.13176	3.2
211.11153	8.7
211.14886	2.7
213.12764	8.3
217.12216	5.0
225.12764	3.1
225.16434	4.4
225.73476	2.5
227.10567	2.9
227.18065	3.9
229.12245	3.3
231.13791	3.0
237.16360	5.6
239.14256	3.9
241.12431	3.8
241.19547	3.3
251.17947	5.6
255.17439	7.3
257.15372	5.8
269.15292	9.1
269.18921	15.0
271.17056	3.3
273.14954	2.3
279.17435	8.9
287.16537	4.1
287.20059	4.2
297.18497	57.2
315.08264	3.3
315.15900	5.2
315.19574	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1955
Annotation	Cespihypotin R
Peak:m/z	Relative Intensity
52.04940	3.6
52.46403	3.5
55.05506	5.5
67.05490	13.7
71.52800	3.8
74.16549	4.3
76.48611	3.1
79.05486	14.5
81.07054	49.8
83.08611	6.9
91.05474	13.4
93.07048	12.1
95.04937	6.4
95.08614	19.4
97.06538	11.9
99.08061	4.3
105.07005	8.9
107.04759	3.6
107.08613	10.0
109.10136	8.5
110.73940	3.4
114.23573	3.6
117.07069	16.8
119.08585	7.9
121.10156	7.0
128.06230	5.8
129.06996	11.5
131.08592	19.9
135.08037	10.6
135.11702	5.2
135.56248	3.8
141.07010	7.1
142.07748	3.6
143.08553	18.2
145.10123	17.6
147.07977	3.6
147.11725	4.9
155.08580	13.7
157.06433	4.2
157.10110	12.3
159.07994	3.6
159.11641	7.1
167.08588	5.3
169.10115	9.1
171.11708	5.3
173.13277	7.4
175.07507	8.6
179.08643	4.5
181.10086	9.6
183.11656	8.8
185.13348	5.1
187.07599	21.7
187.11253	4.0
189.09206	5.3
191.86272	3.3
195.11734	10.9
198.77420	3.9
199.07497	10.3
201.08974	4.7
203.10678	5.6
209.13301	7.1
211.11247	6.3
215.10701	5.8
217.12384	5.5
227.17894	4.3
229.12245	4.3
241.19508	6.6
243.13843	4.1
251.14297	6.6
251.17964	11.1
255.17432	12.5
261.16385	4.2
269.15454	34.1
269.18787	26.8
279.17462	13.4
282.12659	3.5
283.09616	4.1
287.16406	15.4
287.19720	6.2
295.09607	4.4
295.98550	3.4
297.18491	72.4
315.07596	10.5
315.16199	5.8
315.19583	100.0
315.22839	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	315.2532
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
50.36069	2.4
55.05513	15.2
57.07077	12.5
65.03944	3.1
67.05507	68.1
69.07069	20.9
71.04987	3.8
71.08641	31.4
71.11196	3.3
71.11528	4.5
79.05509	18.2
81.07063	85.6
83.05000	6.4
83.08628	14.5
83.09052	3.4
85.06555	6.5
85.10180	23.9
86.61229	3.0
91.05489	18.9
93.07040	16.8
95.04957	5.3
95.08614	60.8
97.06495	5.3
97.10186	5.8
98.97569	3.8
99.08107	27.1
101.29511	2.5
105.07055	14.6
107.08618	14.4
107.51186	3.0
109.10168	22.1
111.08069	4.4
113.09653	29.2
115.08707	3.4
117.07081	4.4
119.08579	7.6
121.10171	16.6
123.11707	14.9
131.08583	9.0
131.10689	5.5
133.06483	3.8
133.10178	14.2
135.08055	3.6
135.11711	8.9
137.13283	8.8
145.10127	7.8
146.14038	2.8
147.08064	2.9
147.11707	17.9
149.09651	3.1
149.13252	14.7
151.11227	4.0
151.14841	4.8
159.11700	3.0
161.13281	10.3
163.11166	6.2
163.14806	5.1
165.12752	8.5
167.14297	6.3
169.12251	3.0
173.13255	6.9
179.14297	3.2
181.16060	2.7
187.13254	15.7
195.13864	4.9
197.44370	2.4
209.15356	6.4
243.21106	13.9
261.22162	12.9
279.23199	100.0
297.24365	3.7
324.61160	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	315.2685
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
51.64819	2.4
53.03947	2.8
53.12920	2.8
55.05512	14.6
57.03424	3.3
57.07062	10.2
67.05513	13.9
69.07082	18.3
71.08616	3.5
71.53773	4.9
79.05488	13.3
81.06609	4.0
81.07063	73.2
83.08581	6.7
85.06543	14.9
91.05485	12.7
93.06557	3.4
93.07047	33.2
95.08065	4.4
95.08614	50.2
97.10162	3.7
105.07039	31.7
107.08619	29.9
109.10181	27.5
111.11700	3.1
116.77346	2.7
117.07011	5.7
119.08597	34.0
121.10145	28.7
123.11690	10.6
125.09595	5.6
131.08575	20.0
133.10138	15.7
135.11693	14.3
137.13177	4.4
143.08543	6.8
144.09332	4.3
145.10132	46.4
147.11734	17.0
149.13272	23.4
157.10152	8.0
159.11702	72.6
160.38271	3.2
161.13290	16.7
163.14809	8.5
171.11662	4.3
173.13281	22.9
175.14836	7.4
185.13251	4.0
187.14818	13.2
189.16391	10.9
199.14711	3.7
201.16348	11.6
203.17921	7.3
213.16348	13.3
215.17999	17.4
217.19472	9.7
223.76143	3.0
240.29382	2.9
241.19487	7.1
259.20483	4.4
297.25803	35.8
315.14069	3.1
315.26794	100.0
315.34573	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	316.1757
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
53.72718	0.6
55.05505	1.2
56.05038	0.8
60.04533	5.1
67.05510	1.0
68.05011	1.1
69.07062	2.6
70.06596	19.4
71.51349	0.9
72.08163	1.0
73.75780	0.7
74.32743	0.7
80.05007	1.8
81.07063	1.4
82.04188	2.2
82.06568	1.6
83.04972	2.0
83.41919	0.7
84.04498	5.7
84.08143	2.5
86.09707	35.9
87.04467	2.4
87.05592	3.0
93.05804	4.0
94.06570	7.3
96.04485	0.8
98.06064	1.1
98.97580	0.8
99.04449	1.2
100.07621	0.9
102.05532	1.5
106.06532	0.7
108.08105	1.5
110.06065	0.7
111.04462	0.8
111.06818	6.0
112.07600	2.0
116.07102	37.5
124.07518	1.4
128.07085	0.9
128.10733	2.2
129.10309	0.7
132.10207	0.8
136.07578	3.3
137.08302	1.1
138.09151	10.7
154.08598	2.5
155.09428	6.8
159.06564	1.3
172.09698	38.8
173.12872	16.1
181.13364	0.8
199.18079	5.3
201.12332	4.2
216.12315	2.5
218.14052	0.7
226.14395	1.6
227.17560	2.6
253.08591	1.2
253.11925	1.0
272.14920	0.9
316.17575	100.0
316.20886	4.9
317.11975	0.8
317.17841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00170	0.3
52.26673	0.4
55.05486	0.7
67.05437	1.1
68.05029	2.2
69.05746	3.0
69.07014	0.9
70.06593	14.5
71.04991	1.6
71.52582	0.3
72.08095	1.0
79.05441	1.0
81.03345	1.0
81.07047	1.7
82.06518	1.4
83.07362	4.2
84.04447	0.4
84.08148	2.6
85.02853	1.1
86.06045	0.7
86.09641	1.1
91.05431	0.7
93.06972	1.1
95.04914	0.8
95.08539	1.2
97.06490	0.5
98.06019	0.8
98.09674	0.4
103.24931	0.3
105.06970	1.1
107.08544	0.6
109.06475	0.5
109.10112	0.6
112.43816	0.3
118.35104	0.4
119.08562	0.5
121.06508	0.4
124.07531	0.6
126.09101	0.8
131.08397	0.4
133.10034	0.4
135.74483	0.3
147.11647	0.5
152.04143	0.4
193.12096	0.4
211.13272	0.5
226.18039	3.7
229.04872	0.3
234.15591	0.4
236.16458	5.4
238.17982	1.5
254.17516	100.0
255.17789	0.6
256.19070	4.5
270.11230	0.4
270.20761	0.7
272.18631	1.1
280.18964	0.6
284.57904	0.3
293.05307	0.6
298.20132	42.3
302.04126	0.5
316.11768	0.7
316.21219	23.0
317.06546	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	316.2231
Annotation	H-LEU-LEU-ALA-OH
Peak:m/z	Relative Intensity
55.05512	3.4
55.07280	0.4
58.06616	0.5
60.04533	2.8
67.05499	1.4
69.03442	0.6
69.07073	5.7
70.06600	7.6
71.51641	0.5
72.08159	40.1
74.02443	0.5
80.05015	0.5
81.03427	0.6
81.07079	0.7
82.04192	0.8
82.06590	0.5
83.05013	0.5
84.04504	3.8
84.08139	1.2
85.02911	1.2
85.06563	0.9
86.09710	100.0
87.04456	0.6
87.05593	1.7
91.05507	0.7
93.05799	1.8
93.07059	0.6
93.68343	0.4
94.06586	2.6
97.06522	0.6
99.04453	1.7
102.05541	0.8
102.09170	0.6
107.04964	0.4
107.08623	1.0
108.08124	1.8
109.02824	0.6
109.10172	1.2
111.06841	1.7
112.07662	0.6
115.03959	0.6
116.07098	20.3
118.08669	0.9
124.07606	1.4
125.07114	0.4
126.05534	0.5
128.10744	0.9
130.05029	0.7
130.06532	0.5
132.10252	0.6
136.07594	2.1
137.08400	0.8
138.09149	4.2
152.10756	0.5
154.08627	6.6
154.42252	0.4
155.09404	1.3
159.06551	1.1
159.42267	0.4
164.43976	0.4
171.14938	14.7
172.09695	9.7
173.12866	7.8
176.09215	0.6
188.12798	2.1
190.18242	0.5
199.14426	9.7
199.18068	23.2
201.12352	2.2
203.13924	8.7
210.64235	0.4
216.12361	3.2
217.15526	1.6
227.17561	13.6
249.70323	0.4
254.13666	0.6
299.15982	0.5
316.14334	0.9
316.17636	26.3
316.21387	5.0
317.11847	1.0
317.17322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
53.03939	0.2
55.01881	0.1
55.05490	0.2
56.96553	0.2
65.03942	0.7
66.08599	0.1
67.01863	0.1
67.05501	0.4
68.99784	0.4
69.03430	0.3
69.07057	0.2
69.34743	0.7
70.06588	0.3
71.04990	0.1
73.02903	0.1
79.05490	0.2
81.03412	0.3
81.07075	0.5
83.04967	0.1
83.08612	0.1
85.02913	0.2
86.09695	0.2
91.05481	0.3
92.02627	2.5
93.03407	2.5
93.07044	0.4
94.04186	0.1
95.01361	0.1
95.04964	0.3
95.08598	0.3
97.02876	0.2
97.06525	0.2
98.97566	0.8
105.03445	0.1
105.06413	0.1
105.07004	0.6
107.04945	0.1
107.08584	0.4
108.02072	0.2
109.02879	0.5
109.06517	0.1
109.10149	0.5
111.00801	0.3
111.04443	0.1
116.98617	0.4
117.06985	0.2
119.08636	0.4
120.02071	0.2
120.08097	0.2
121.02860	1.9
121.06541	0.1
121.10147	0.3
122.03614	0.2
123.04408	0.2
123.08041	0.1
124.01556	0.1
124.05214	0.1
126.03137	0.9
127.03893	0.2
129.66887	0.1
131.04932	0.1
131.08571	0.3
133.02881	0.1
133.10136	0.4
134.99680	0.1
135.11726	0.1
136.01561	0.1
137.02313	0.6
137.05983	0.2
139.03889	1.6
141.05484	0.1
141.06995	0.1
143.08577	0.1
145.06470	0.3
145.10146	0.4
147.11679	0.1
149.02356	0.1
149.09657	0.1
150.03105	0.1
151.03911	4.5
151.05016	0.4
151.11171	0.3
152.01030	0.1
152.04245	0.3
153.01830	15.1
155.04936	0.3
155.08490	0.1
157.10104	0.2
159.04352	0.1
159.11661	0.2
161.06006	0.2
161.09657	0.1
161.13307	0.1
162.44554	0.1
163.03917	0.3
165.01846	0.9
165.05525	0.1
166.02634	0.3
169.04944	0.1
170.02055	0.1
171.11626	0.1
172.05164	0.1
172.09792	0.1
173.05978	0.5
173.09602	0.1
173.11795	0.1
173.13211	0.2
175.03923	0.1
176.04707	0.2
177.05487	0.4
179.00232	0.1
179.03409	0.2
183.02892	0.3
183.04411	0.2
183.11684	0.2
185.13263	0.1
187.03957	0.4
187.11128	0.1
189.05336	0.1
190.06171	0.1
192.04118	0.1
193.01604	0.1
197.06116	0.1
199.03947	0.1
199.14824	0.1
200.04617	0.6
201.05466	1.3
203.03409	1.1
204.04137	0.1
211.03996	0.1
213.05449	0.1
213.16403	0.2
217.04968	2.4
218.05766	1.3
219.02879	0.4
219.06575	0.1
226.08342	0.1
228.04184	3.4
228.06445	0.2
229.04984	6.5
229.13354	0.1
231.02907	0.9
231.06429	0.1
232.03720	0.1
233.04445	0.1
239.03340	0.1
243.06587	0.3
245.04465	3.4
246.05237	3.0
247.02379	0.2
253.03603	0.1
256.03677	0.6
257.04465	4.4
257.19040	0.1
258.05161	0.2
259.02502	0.2
260.03146	0.7
261.07449	0.5
271.05832	0.4
271.16873	0.1
271.20648	0.1
273.03934	3.4
274.04715	6.3
281.09219	0.2
281.18863	0.2
284.03207	0.9
285.03925	7.3
286.04703	0.2
287.02167	0.2
287.05499	0.2
288.06198	0.4
289.06870	0.1
299.05450	0.1
299.10236	0.3
299.14706	0.2
299.20081	0.4
301.03452	0.3
302.04208	20.3
317.06549	100.0
318.06891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1231
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.34763	2.2
55.01860	5.1
56.96543	2.2
57.03432	4.7
59.27962	2.1
61.02928	5.5
66.90977	2.1
69.03430	11.9
69.07083	3.2
70.06580	2.9
70.17621	4.8
71.01369	3.2
71.04974	2.9
72.08163	7.1
73.02911	3.4
79.05519	2.6
81.03423	10.0
81.07045	3.3
84.04512	5.0
84.08139	3.1
85.02911	48.3
86.09708	9.9
91.05481	21.1
93.07047	3.7
97.02898	28.7
98.97587	3.2
100.02200	4.0
103.03959	6.5
103.05461	5.9
103.21594	1.9
104.66550	1.9
105.07033	23.8
107.04957	3.5
109.06546	2.2
115.05450	10.8
117.06995	4.5
119.04973	12.0
121.06465	6.7
121.10150	2.9
123.04437	4.1
127.03919	6.3
128.06233	8.5
129.07022	22.5
130.05022	2.9
131.04938	6.3
133.06506	25.1
137.05989	100.0
141.06969	4.2
143.04912	11.2
143.08551	3.6
145.04982	4.9
145.06511	9.4
147.04381	15.8
147.08026	2.5
149.05992	23.6
151.07552	46.2
153.07014	4.0
155.03502	2.2
155.07021	5.3
157.06482	18.0
160.05194	4.0
161.05994	36.7
165.05479	31.9
167.07079	9.8
169.06519	4.0
171.08078	6.4
173.05984	8.4
174.06761	2.9
175.07529	25.1
177.05466	6.1
179.07040	65.5
181.06512	6.0
185.05940	13.1
187.07590	3.2
189.05464	9.9
189.09065	3.6
191.07066	12.3
195.06554	4.0
197.08043	2.5
199.07590	10.2
203.07042	53.6
205.08653	8.6
215.07057	5.3
217.08623	12.9
221.08134	19.9
227.07047	6.4
233.08110	11.0
245.05754	3.9
245.08115	34.5
251.09123	6.6
261.02158	2.0
263.09125	36.5
281.10275	6.4
299.11157	7.5
317.11905	13.0
317.24600	3.0
332.33331	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	317.1597
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
53.03943	2.8
55.01862	4.5
55.05518	10.7
55.86950	1.1
57.03195	1.3
57.03446	15.7
57.07058	1.3
57.73544	1.1
59.04991	1.5
65.03952	2.2
67.05508	38.5
69.03443	6.2
69.07074	9.9
70.06595	1.8
71.04991	5.6
71.52852	1.2
72.07514	0.9
79.05497	17.9
81.03425	44.7
81.06586	1.9
81.07059	32.1
81.07532	1.8
83.04996	9.4
83.08631	11.3
85.02899	1.6
85.06538	5.6
86.09719	1.3
87.04437	1.3
91.05488	60.3
93.03418	1.1
93.07051	18.4
95.04978	24.9
95.08608	11.5
97.02892	3.0
97.06519	7.1
97.10146	1.6
98.97578	2.9
99.04468	1.4
103.03961	2.2
103.05448	1.2
105.03401	1.5
105.07036	47.1
107.04974	5.3
107.08597	28.0
109.02856	2.5
109.06506	7.5
109.10164	37.1
111.04419	2.5
111.08093	7.5
113.06010	4.4
115.05473	2.3
117.07047	9.6
119.08583	23.6
121.02881	1.0
121.06507	3.8
121.10139	6.7
123.08081	3.1
123.11700	8.8
125.09608	1.6
127.07540	1.5
128.06238	5.2
129.07014	4.0
131.08582	11.5
133.06519	2.2
133.10141	100.0
135.04550	1.5
135.08066	5.5
135.11685	2.9
137.09662	5.6
141.07027	1.2
142.07890	1.0
143.08572	10.4
145.06476	2.1
145.10110	5.9
147.08026	1.8
147.11702	6.0
149.09630	5.4
151.11192	46.5
153.01842	5.7
153.09076	1.2
155.08568	1.5
157.10165	8.2
159.08113	2.0
159.11678	4.0
161.09625	32.2
161.13200	2.7
163.07535	1.4
163.11166	2.6
165.82278	1.1
169.10091	2.1
169.12245	9.9
171.11723	2.1
173.09546	1.3
173.13280	2.3
175.11195	7.9
175.14882	1.6
177.12805	1.1
179.10687	27.5
183.11658	2.6
185.13203	1.5
187.11124	1.4
191.10756	1.3
193.12253	39.7
197.09987	1.3
197.11720	6.7
197.13286	2.4
199.14819	2.2
201.16490	1.2
211.13246	2.9
211.14977	1.6
213.12785	1.4
213.16325	1.1
215.12766	34.2
217.05173	1.3
228.04155	2.9
229.04984	2.6
239.14293	1.2
246.05138	1.5
249.14757	1.2
253.14215	2.0
253.19727	2.4
257.04575	1.9
257.18866	1.8
262.11581	2.6
267.15939	18.5
271.20529	3.5
273.04050	1.4
274.04556	2.9
281.19016	2.3
285.03986	4.1
285.16913	6.7
289.21786	1.2
299.14948	1.5
299.20044	8.3
302.04230	8.8
317.06592	44.8
317.09927	1.5
317.15994	47.4
317.21136	24.8
317.24374	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11280	1.5
55.05515	16.8
57.03438	2.2
57.07074	3.5
63.62064	1.2
64.68997	1.5
67.05511	11.5
67.59805	1.6
69.07060	4.4
69.95765	4.6
77.76546	1.2
79.05505	8.5
81.07059	22.3
82.56595	1.3
83.05029	1.6
83.08616	11.9
85.06536	2.6
86.78926	1.6
90.57934	1.2
91.05480	16.3
93.07043	14.3
95.08607	23.0
97.06554	3.6
97.10145	4.9
98.20827	1.9
99.08096	4.6
103.82009	1.3
105.03406	1.7
105.07036	17.8
107.04953	2.0
107.08594	14.4
109.10160	13.5
111.04431	4.3
111.08087	1.8
111.11720	1.9
115.05477	2.8
117.07021	23.1
119.08576	11.7
121.06499	2.5
121.10131	6.3
123.04424	1.6
123.11694	3.9
128.06215	4.1
129.07016	13.9
130.07782	1.9
131.08577	29.0
133.06493	2.5
133.10156	8.7
135.04367	3.9
135.08075	1.5
135.11734	8.3
137.05974	2.6
141.06998	2.4
143.08568	17.9
145.06520	2.5
145.10114	38.0
147.08061	2.3
147.11728	8.8
149.05936	7.1
151.07559	2.6
153.12677	1.8
155.08536	4.3
157.10110	10.0
159.08112	4.6
159.11684	8.1
161.03072	1.7
161.05977	10.3
161.09633	1.8
161.13243	5.4
163.07596	1.9
163.14836	3.6
165.09116	2.6
169.10167	3.5
171.08069	2.7
171.11703	13.7
173.05994	2.6
173.09666	2.4
173.13263	7.4
175.07574	13.5
175.11195	3.2
175.14841	6.4
177.03555	1.4
177.09109	4.0
181.10124	1.6
183.11696	6.8
185.09686	1.9
185.13217	6.8
187.07585	11.4
187.11205	2.7
187.14789	4.6
189.09120	27.8
189.12701	4.1
191.10675	3.5
197.13243	5.1
199.11150	5.7
199.14784	3.6
201.09103	5.9
201.12706	3.0
201.16548	1.6
202.11958	1.5
203.10730	11.2
203.14505	1.6
205.12279	5.5
211.11172	4.1
211.14734	2.4
213.16431	3.7
215.10645	6.5
215.14258	2.3
217.12239	29.7
219.13762	1.9
221.13103	1.5
225.12730	2.0
225.16440	2.4
227.14311	1.6
227.17953	1.6
229.12273	4.2
231.13852	3.6
233.15347	2.2
235.13307	35.9
241.15742	2.5
241.19612	2.6
243.13741	4.1
243.20990	1.5
253.13728	8.1
253.19487	11.6
253.63715	1.9
257.15369	2.4
259.16907	2.4
269.19156	2.7
271.16913	36.1
271.20535	12.0
273.64844	1.7
281.18991	22.2
287.20111	8.6
289.18042	2.5
289.21460	2.2
296.13638	4.7
296.63745	2.4
299.20065	100.0
300.20453	2.2
317.21130	41.5
325.40082	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	317.2112
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
53.03946	2.1
55.01870	1.9
55.05512	7.8
57.07067	6.6
66.82585	1.4
67.05505	18.5
69.07063	21.9
69.92786	7.3
70.06615	1.9
73.02924	10.1
79.05494	17.5
81.06590	3.2
81.07061	53.9
83.08630	5.9
88.07650	2.7
91.05484	11.7
93.07050	20.9
95.04996	1.9
95.08608	23.2
97.10177	2.5
98.21612	1.5
98.98424	1.4
103.05489	1.4
105.07033	33.0
107.04909	1.4
107.08586	8.1
109.10162	23.5
117.07030	6.5
119.08589	19.4
121.06521	5.7
121.10158	22.4
123.04469	1.4
123.08087	4.8
123.11710	100.0
125.05996	1.6
129.07011	6.3
131.08562	12.4
133.06532	14.5
133.10133	10.8
135.08052	2.6
135.11734	4.1
137.09634	1.9
137.13260	2.7
141.06996	2.6
143.08572	6.3
145.10120	9.5
147.08073	5.3
147.11702	6.3
149.05995	1.6
149.09631	5.8
149.13210	2.2
151.07558	4.8
151.11186	2.1
155.08585	2.0
157.10143	5.8
159.08109	2.4
159.11722	7.8
161.09601	3.9
161.13289	5.1
165.09122	8.7
169.10123	2.5
171.11740	6.4
172.95284	1.9
173.13290	5.5
175.07564	4.5
175.11263	3.5
175.14914	3.0
177.12744	2.2
179.07047	26.2
179.10698	2.5
183.11687	5.1
185.13303	3.2
187.07726	3.1
187.11221	2.5
187.14854	4.6
189.12819	3.1
191.14169	1.6
193.08636	7.2
197.13330	4.6
201.09155	3.9
201.12794	3.7
203.10713	4.7
203.14365	1.7
205.12347	1.6
207.10182	3.2
211.14890	2.6
215.14323	2.7
217.12350	3.3
219.13724	1.9
221.11720	3.9
229.12283	9.8
233.15482	2.2
235.13312	3.2
243.13876	2.9
243.21004	1.7
245.15521	1.7
253.19533	18.5
261.14911	3.6
271.17465	2.9
271.20569	32.5
281.19016	2.5
289.21555	2.0
299.20062	41.3
317.06589	1.7
317.21167	69.8
317.24774	9.5
317.32327	8.3
318.30145	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.7
55.05509	4.4
56.96547	0.9
57.03439	7.0
57.07058	0.8
58.06603	0.8
67.05508	19.3
68.05009	1.0
69.03432	1.7
69.07056	2.3
70.06594	6.6
71.01361	1.3
71.04994	2.0
71.52116	1.1
72.04491	2.6
72.08145	2.4
79.05487	6.8
80.05023	1.6
81.03404	2.8
81.07056	8.6
82.06579	2.8
83.04960	2.2
83.08620	3.3
84.04501	11.4
84.08145	1.6
85.02908	70.2
85.06551	1.9
86.09702	2.3
90.05578	5.4
91.05468	2.4
93.07051	7.4
94.07404	0.8
95.04951	2.1
95.08590	1.4
95.35795	0.7
96.08105	1.8
97.06540	8.5
97.10175	3.7
98.06048	1.1
98.09676	1.1
102.05518	3.4
103.03938	1.6
105.07072	1.7
107.08595	13.8
108.08129	4.9
109.06513	1.8
109.10161	63.9
110.06043	8.3
110.09671	3.5
110.10371	0.9
111.08092	1.7
112.07621	0.9
117.07030	0.9
119.08591	2.2
120.08084	0.9
121.10167	1.0
124.07619	1.7
124.11231	7.1
125.09628	7.3
128.07121	1.1
128.10712	2.7
131.03407	2.9
134.09669	5.7
135.08051	6.8
136.07558	2.9
137.09570	1.7
138.05484	3.5
142.08633	2.3
152.10715	42.5
153.09106	11.1
156.06462	1.0
156.10185	1.4
159.11322	1.1
162.12802	1.5
164.14320	0.9
165.09137	2.5
170.11769	100.0
182.08157	1.1
187.10881	1.0
188.12822	65.5
190.12239	9.6
192.13797	1.0
193.12204	3.1
196.13326	0.9
208.13344	9.6
210.14890	11.1
211.13287	9.3
218.11781	2.9
228.15991	9.9
236.12819	19.3
254.13879	64.1
256.15457	1.2
272.11789	1.5
272.14926	24.3
272.17902	1.4
274.16519	9.0
282.13239	1.6
282.16968	0.9
300.10776	12.0
300.14383	13.8
300.17957	2.9
318.12204	1.2
318.15375	5.9
318.19147	4.3
340.02612	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.6
55.05503	8.4
56.05027	3.3
67.05505	10.5
69.03420	2.8
69.07072	3.9
69.66672	4.6
69.67076	8.9
70.06577	9.5
71.05006	2.7
72.08165	2.4
79.05505	10.2
80.05029	2.1
81.03422	32.0
81.07063	15.2
82.06584	4.6
83.04995	12.0
83.08633	12.5
86.09728	2.4
88.03970	2.3
88.70770	2.1
90.05563	70.2
91.05471	10.3
93.07026	8.6
95.05003	10.7
95.05499	1.9
95.08590	6.7
97.06516	3.6
97.10184	3.9
105.07017	6.3
107.04942	3.0
107.08585	4.9
108.08159	1.9
109.06524	2.9
109.10144	2.1
110.09692	2.5
111.08071	5.5
116.82143	2.1
119.08591	6.5
121.10125	4.8
125.09671	2.0
129.07004	5.5
131.08566	6.0
132.42686	1.9
133.10120	7.3
138.12709	3.0
144.06560	3.8
147.08060	2.2
147.11665	6.1
149.09619	5.8
150.42557	1.9
157.10098	8.3
165.12744	2.0
175.11200	7.6
192.13895	2.9
193.12257	33.1
210.14905	36.6
211.13303	100.0
218.15388	3.7
228.15956	28.0
236.16420	4.5
238.14445	5.0
254.17558	6.8
256.15393	14.3
274.16620	9.3
282.17050	6.4
300.18027	22.9
301.11725	2.9
302.11539	2.2
331.85815	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	318.3003
Annotation	Phytosphingosine
Peak:m/z	Relative Intensity
55.05505	1.5
56.04798	0.5
56.05043	7.5
57.06829	0.5
57.07081	6.2
58.06607	4.2
60.04531	20.2
66.66096	0.4
67.05503	1.8
69.07067	0.5
70.06585	1.0
70.22070	1.6
71.08634	2.5
73.27122	0.4
74.06088	7.5
78.06094	0.4
79.05500	0.6
81.07071	1.9
83.08599	0.8
84.87049	0.4
85.10179	1.4
86.06059	0.7
88.07635	25.4
93.07020	0.8
95.08595	1.5
101.29180	0.4
101.69379	0.4
102.09174	0.8
104.07115	0.5
104.63334	0.4
109.10154	0.5
118.08645	4.0
122.08157	3.7
136.93126	1.2
154.94194	1.3
172.95207	0.7
191.86482	0.4
210.12175	0.3
256.26306	3.6
264.26807	0.6
270.27921	25.3
282.27905	2.7
300.28979	5.6
311.17914	0.4
318.30038	100.0
319.30350	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01871	5.2
55.05516	10.9
56.96569	3.2
57.03438	1.5
57.07059	1.4
65.03952	1.6
67.05512	14.4
69.03416	4.1
69.07071	6.8
71.04981	2.1
71.51991	1.7
74.06065	1.6
79.05495	13.3
81.03400	4.7
81.07065	18.2
82.34473	0.9
83.04962	2.3
83.08593	4.2
85.06547	1.6
86.09711	1.3
87.08090	3.7
91.05489	11.9
93.07047	15.5
94.06575	1.9
95.04962	4.7
95.08621	15.3
97.02847	1.3
97.06527	5.1
97.10149	2.5
99.08086	2.2
102.80408	1.1
103.05476	1.7
105.07034	15.7
107.04939	3.4
107.08609	21.9
109.02872	5.5
109.06519	4.3
109.10172	8.8
111.04401	1.1
111.08070	3.1
115.05470	2.2
117.07029	3.2
119.08588	12.7
121.06481	4.4
121.10145	16.4
123.08063	4.2
123.11711	1.8
125.09627	2.5
127.03960	2.8
128.06274	1.6
129.07018	4.2
131.04961	2.0
131.07312	2.1
131.08559	8.2
133.06450	1.6
133.10144	8.1
135.08041	4.1
135.11702	4.4
136.07584	2.5
137.02365	1.8
137.09624	3.1
138.05519	2.9
139.11179	1.3
141.07010	2.1
142.07729	2.5
143.08582	6.2
144.08118	2.0
145.10133	8.2
147.04349	1.1
147.08057	4.2
147.11694	5.7
149.05930	1.6
149.09621	4.9
149.13257	1.5
151.11201	3.0
153.09122	1.3
155.08556	3.8
157.10144	8.0
158.10876	1.4
159.06879	1.6
159.08087	2.7
159.11697	9.8
161.05922	1.4
161.09607	7.9
161.13268	5.5
162.05533	6.1
163.11169	4.7
164.07086	3.7
165.07025	1.6
165.09090	1.7
166.05086	1.8
167.07300	1.3
167.08597	1.5
169.07593	1.3
169.08859	2.2
169.10146	3.6
170.09616	1.3
171.08041	2.5
171.11671	5.3
172.11258	1.5
173.09647	3.8
173.13275	5.7
175.11218	6.5
175.14824	2.0
177.12767	2.5
181.10086	2.5
182.08191	2.5
182.09637	2.3
183.11757	3.0
184.00410	1.7
184.09918	1.8
184.11295	1.6
185.08279	2.0
185.09631	2.9
185.13193	5.1
186.09122	1.8
186.12703	2.5
187.11183	3.2
187.14787	1.8
188.07141	1.2
189.05460	2.8
189.09174	1.7
189.12721	2.8
191.14375	2.5
192.08058	1.6
193.12213	2.4
195.11732	2.2
196.07544	1.4
196.83545	1.3
197.07118	3.8
197.13304	3.7
198.07767	8.9
198.09381	1.3
199.12553	1.5
199.14854	5.3
200.10738	3.4
201.12775	6.0
201.16354	1.1
203.14325	4.7
209.01143	6.1
209.10690	3.1
209.13272	2.7
210.09183	3.1
210.13934	1.1
211.04933	2.0
211.08678	3.6
211.14801	2.5
212.09286	8.1
213.10216	13.0
213.12872	1.6
213.16415	2.3
214.12260	7.8
215.14354	2.5
215.17888	1.5
217.15860	1.8
219.13835	4.8
222.07945	1.6
223.14917	1.9
225.06607	6.8
225.16405	4.0
226.05132	1.5
226.07385	29.1
226.10916	1.2
227.02266	22.7
227.08109	3.2
227.11824	7.5
227.14348	5.4
227.17793	1.3
228.06696	1.9
228.10358	5.8
229.09729	12.3
230.11745	1.2
237.10202	2.6
239.08160	2.2
239.17931	1.4
240.08696	11.0
241.05908	2.8
241.09731	73.6
241.16035	2.2
241.19435	1.5
243.17433	2.6
245.03401	2.3
245.15445	4.7
250.03938	1.6
253.19495	2.0
254.06723	1.5
255.01839	4.6
255.07642	1.1
255.08493	1.5
255.11319	17.5
255.17400	1.6
255.21078	2.3
256.09695	38.9
256.12384	2.1
257.12799	2.0
257.19016	1.4
258.11261	9.6
259.16858	1.3
265.19516	3.0
265.51797	1.1
268.08438	1.5
270.09949	4.5
271.10693	1.6
271.20703	5.4
272.07950	24.7
273.02792	10.2
273.08792	2.3
273.12314	2.3
273.14975	3.0
273.22168	1.2
275.20105	1.9
283.10782	75.6
283.20554	14.3
284.09177	4.4
289.21622	11.6
301.11801	91.4
301.21548	18.4
302.10147	16.0
319.07266	5.4
319.12448	7.6
319.16000	3.5
319.19717	4.1
319.22684	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1752
Annotation	Tomelukast
Peak:m/z	Relative Intensity
50.14307	1.1
53.03936	3.9
53.79852	1.2
54.56660	1.2
55.01862	5.6
55.05512	20.7
57.03437	10.0
59.04986	3.1
65.03918	1.8
67.05507	52.5
69.03413	4.4
69.07069	21.1
70.08316	1.3
71.04974	3.6
71.52544	2.0
73.03278	1.3
74.02430	4.2
79.05495	23.8
81.03423	8.3
81.06606	1.7
81.07059	29.6
83.04977	9.0
83.08617	9.1
85.02896	8.0
85.06524	3.1
86.09709	77.5
87.04473	2.8
91.05476	15.4
93.07043	24.2
95.01331	2.5
95.04454	1.2
95.04974	7.5
95.08610	22.4
97.02869	1.9
97.06539	8.3
97.10181	10.5
99.04410	1.7
100.11223	1.5
101.02402	1.2
103.05492	1.3
104.75722	1.2
105.07040	17.5
107.04947	11.6
107.08597	19.5
109.02859	5.6
109.06520	4.1
109.10159	39.4
111.04457	8.2
111.05122	1.9
111.08088	6.1
113.09651	1.3
117.07032	7.8
119.04918	1.8
119.08595	20.0
121.06489	5.2
121.10143	20.8
122.06071	3.2
123.04433	1.8
123.08052	5.2
123.11665	1.9
124.07568	1.6
125.09624	13.4
127.03902	2.7
127.42172	1.1
128.06236	1.5
129.06984	4.1
131.04926	2.8
131.08582	7.9
132.10211	25.0
133.10121	8.0
135.08037	4.6
135.11710	11.0
136.07613	1.8
137.02365	1.7
137.09625	3.7
141.09160	2.4
142.07655	2.0
142.08633	7.7
143.08585	4.9
145.06490	3.3
145.10120	18.8
145.11182	2.2
145.77356	1.2
147.04410	3.7
147.08029	5.0
147.11659	5.8
149.06006	2.4
149.09648	6.5
149.67741	1.3
151.03995	1.3
151.11205	2.4
153.12733	3.0
154.08650	1.8
155.08527	4.7
155.10640	5.4
157.10123	6.4
159.08064	3.1
159.11700	9.0
160.09734	1.8
161.05969	1.4
161.09616	6.7
161.13234	5.1
163.11186	20.2
165.09018	1.4
166.05009	4.3
169.10031	2.2
171.08064	3.1
171.11650	5.4
173.09663	9.7
173.11713	13.9
173.13248	5.8
175.11241	9.0
175.14844	2.0
177.12747	5.1
181.10052	2.1
181.12250	4.1
183.11673	3.6
185.09662	1.4
185.13213	3.1
187.11174	2.7
187.14815	2.5
189.05492	2.2
189.12764	3.2
191.10710	8.5
193.12299	2.1
194.04659	1.4
195.11719	1.9
197.13335	2.6
199.11246	2.3
199.14868	3.1
201.12726	2.3
203.14363	4.3
209.11717	4.6
209.13422	2.2
210.14108	1.6
211.14958	1.9
213.12872	1.8
213.16269	1.7
214.08620	1.9
215.14287	2.9
218.73192	1.4
219.13734	1.5
225.16376	5.5
227.12750	5.2
227.14648	2.6
229.14328	30.1
229.16570	1.6
237.16447	1.9
239.17940	2.0
241.15921	2.6
241.19588	2.9
243.17531	2.6
245.15356	2.0
255.17105	5.8
255.21088	2.0
257.19022	2.8
259.10806	1.8
259.13342	2.9
265.14453	8.6
265.19458	2.6
271.20511	7.6
273.03879	1.3
273.12219	2.7
273.14886	6.6
273.18069	1.3
275.12067	1.3
276.12320	1.5
283.15399	28.6
283.20480	15.1
289.21606	3.7
301.11594	6.9
301.16873	11.3
301.21561	25.5
319.12640	4.4
319.18671	4.7
319.22662	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	11R-HEPE
Peak:m/z	Relative Intensity
53.03938	4.0
55.01867	2.3
55.05311	1.1
55.05515	12.2
57.03429	2.4
61.48653	1.1
65.03947	1.7
67.05505	21.3
69.03440	6.5
69.07072	11.6
69.21829	12.2
70.06581	1.4
71.04970	1.5
77.26515	1.2
79.05495	19.4
81.03447	6.4
81.06586	2.2
81.07058	29.4
83.04977	12.2
83.08615	8.0
85.02883	2.1
85.06524	2.4
86.09698	2.1
91.05477	18.2
93.07047	26.6
95.04977	7.0
95.08617	22.7
95.62542	1.3
97.02915	1.9
97.06534	12.0
97.10160	3.9
98.21538	2.9
99.04481	1.5
99.08091	5.4
100.11304	1.6
105.07034	27.4
107.04968	3.7
107.08595	27.1
109.02892	6.2
109.06517	5.3
109.10160	18.5
111.04427	3.0
111.08090	6.8
111.11740	1.8
115.05450	2.7
117.07013	11.9
119.04910	2.8
119.08578	21.9
121.06513	6.0
121.09344	1.6
121.10151	20.9
123.04390	2.2
123.08076	7.9
123.11697	4.6
125.09633	13.5
126.09080	1.4
127.03898	1.6
128.06253	1.5
129.06990	7.8
131.00142	1.5
131.04935	2.3
131.08571	22.0
133.06512	2.8
133.10133	18.3
135.08060	9.1
135.11688	10.1
137.05971	2.3
137.09628	7.3
137.13226	1.5
139.07513	2.0
139.11171	4.4
141.06985	3.3
142.07736	2.6
143.08578	20.1
144.09349	1.7
145.10132	22.7
147.04408	5.9
147.08037	3.5
147.11697	13.5
149.06023	2.1
149.09619	9.9
149.13240	2.4
151.11140	6.7
153.05495	6.3
153.09100	3.4
155.08560	4.7
156.09352	1.4
157.10129	18.5
159.08052	2.8
159.11699	16.3
160.12364	1.7
161.05981	3.2
161.09604	5.0
161.13261	6.7
163.11168	9.8
165.12794	1.8
167.08582	2.3
167.10707	2.3
169.08775	2.5
169.10147	5.3
171.07985	1.7
171.11714	11.6
173.09641	1.9
173.13303	9.4
175.11182	6.8
175.14850	5.7
177.12808	9.0
181.10143	3.1
182.81161	1.4
183.11734	7.4
185.09561	1.8
185.13243	18.6
187.11220	2.6
187.14832	5.3
189.05495	2.8
189.12733	5.8
189.16396	5.3
193.12234	2.0
195.11687	4.4
197.13206	7.8
199.11215	2.6
199.14838	25.1
201.12758	4.0
201.16339	2.8
203.14357	10.4
205.15750	2.4
209.13266	4.0
210.11296	1.4
211.08675	1.7
212.09326	2.3
213.10208	3.9
213.12758	1.5
213.16441	4.7
215.14365	3.3
215.17932	2.1
217.15865	20.1
223.14786	3.3
225.16429	8.6
226.07532	2.1
227.14331	7.9
227.17970	2.9
228.10205	2.3
231.17479	1.7
237.16472	2.9
237.59064	2.3
239.07977	1.4
239.17867	2.1
241.09746	8.0
241.15852	2.9
241.19553	5.8
243.17485	16.3
245.13625	2.8
245.15785	1.8
253.19551	2.8
255.11282	3.3
255.17393	2.1
255.21109	4.9
256.09702	5.5
259.13287	4.0
259.20657	1.9
261.18475	2.0
265.19482	9.9
271.20572	9.7
273.12320	2.4
273.14932	5.4
283.10800	17.7
283.20581	44.7
289.21634	2.9
301.11304	8.7
301.14688	8.1
301.21591	36.6
302.10147	2.8
318.61581	1.8
319.07138	1.9
319.12231	2.4
319.15311	6.0
319.19351	4.7
319.22675	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.227
Annotation	CAY10410
Peak:m/z	Relative Intensity
53.03919	0.2
55.01865	0.2
55.05315	0.2
55.05520	2.3
57.03440	0.2
57.07067	0.9
59.05006	0.3
60.04520	0.5
61.02929	0.6
65.03963	0.3
67.05504	3.0
69.03427	0.5
69.07076	5.1
70.06579	0.3
70.78254	0.7
71.08630	0.2
72.22038	0.2
74.06087	0.3
78.11556	0.2
79.05486	1.5
81.07059	6.7
83.04967	0.8
83.08621	2.4
85.06535	0.7
85.10194	0.6
88.07611	0.6
89.07922	0.4
91.05476	1.5
93.07050	9.0
95.04961	0.9
95.08615	13.2
97.06538	3.1
97.10161	0.8
99.08098	0.2
105.07039	3.5
107.04948	0.2
107.08603	5.6
109.06521	0.7
109.09470	0.4
109.10165	5.2
111.08099	1.2
111.11738	0.4
116.17049	0.2
117.07035	0.6
119.07812	0.3
119.08595	3.9
121.06508	2.0
121.10161	2.6
123.08079	0.6
123.11711	9.0
126.66109	0.2
129.06970	0.4
131.08577	1.5
131.94116	0.2
133.10152	2.9
135.08075	2.2
135.11736	1.5
136.93077	0.3
137.09631	0.7
139.07544	0.6
143.08589	2.2
145.10126	5.0
147.08060	0.9
147.11682	2.9
149.09625	0.9
149.13332	1.3
151.11169	0.5
153.09111	2.4
154.94164	0.4
155.08553	0.3
156.09334	0.5
157.10133	3.7
159.08026	0.4
159.11703	4.4
161.09662	1.2
161.13260	2.4
163.07555	0.3
163.11179	0.8
163.14857	1.4
165.12766	0.9
169.10117	3.4
171.11691	10.0
172.95267	0.3
173.09625	0.9
173.13261	1.8
175.11182	1.1
175.14836	2.2
177.12759	2.1
179.10744	0.3
179.14384	0.4
183.11702	1.5
185.09647	0.4
185.13271	4.5
187.11189	1.2
187.14861	1.0
189.09053	0.2
189.12741	2.6
189.16402	0.6
191.10704	0.4
191.14363	0.8
195.11713	0.4
197.13219	1.0
199.11125	0.6
199.14868	2.3
201.12724	0.9
201.16379	2.7
203.14336	8.4
205.12285	1.2
209.13243	0.4
211.14877	0.3
213.12856	1.4
213.16360	0.8
215.14313	0.3
215.17978	0.9
217.12260	0.3
217.15923	0.2
217.19522	0.2
219.13799	0.6
223.14784	0.5
225.16440	0.5
227.14316	0.7
227.18069	0.3
229.19559	0.3
229.83842	0.2
231.13805	2.3
231.21100	1.4
233.15413	0.7
239.17957	2.3
241.15800	0.6
241.19542	8.4
242.19937	0.3
243.17450	1.2
245.15398	1.3
255.21082	0.8
257.18936	1.1
257.26730	0.3
259.20590	24.3
261.18530	0.5
265.19467	0.8
271.28345	0.5
273.22076	1.3
277.44608	0.2
283.17743	0.3
283.20590	2.6
301.21640	12.6
319.22684	100.0
319.30411	3.8
320.22961	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	CAY10410
Peak:m/z	Relative Intensity
55.05516	5.9
57.03436	1.8
57.07069	1.5
59.05006	0.6
67.05518	4.0
69.03428	0.9
69.07076	5.1
75.04475	2.3
79.05494	4.1
81.07060	7.8
83.04967	1.4
83.08623	4.8
85.06563	1.2
88.07663	0.9
91.05480	2.8
93.07048	6.9
95.04961	1.5
95.08609	7.9
97.06540	21.1
97.07162	1.4
97.10148	1.0
98.20699	1.5
105.07057	5.2
107.04948	0.7
107.08599	5.7
109.06525	1.4
109.10165	8.3
111.08099	3.1
117.07017	2.6
119.08598	6.1
121.06483	3.1
121.10152	3.7
122.23412	0.8
123.08117	1.1
123.11726	10.5
123.91860	0.7
125.09565	0.9
129.06992	1.6
131.08583	2.9
132.55254	0.6
133.10118	4.3
135.08073	5.9
135.11708	2.1
137.09628	1.9
143.08540	4.2
145.10121	4.7
147.08055	2.1
147.11703	3.7
149.09625	1.0
149.13255	2.4
151.07564	0.8
151.11188	2.3
155.08577	2.7
156.09259	1.2
157.10130	6.2
159.08075	1.3
159.11717	4.4
161.09613	2.5
161.13271	4.3
163.14804	3.2
165.09157	0.9
165.12775	1.0
169.10187	2.1
171.11714	5.5
173.09657	1.6
173.13287	3.0
175.11150	1.9
175.14853	4.4
177.12794	3.1
183.11676	1.9
185.13246	4.7
187.11147	2.5
187.14882	1.6
189.12796	2.7
189.16362	1.0
191.14388	0.9
195.11711	2.8
197.13231	0.7
199.11186	0.9
199.14838	2.5
201.12787	2.5
201.16350	1.2
203.14301	10.5
209.13277	1.5
211.14738	0.9
213.12773	4.8
213.16364	1.8
215.14296	1.2
215.17963	1.6
225.16377	2.0
227.14418	1.3
227.17938	2.2
231.13794	2.7
241.19562	2.6
243.17436	3.7
243.21147	1.6
245.19127	1.4
255.17499	2.0
255.21147	2.0
257.26709	1.7
259.20602	5.8
265.19528	1.8
271.20609	1.4
273.22113	2.6
273.24811	0.8
283.20657	5.7
289.21637	7.0
301.21609	18.3
301.25101	1.1
301.29193	1.2
319.22687	100.0
319.30341	7.2
320.22922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2269
Annotation	CAY10410
Peak:m/z	Relative Intensity
53.03940	0.4
55.05276	0.2
55.05516	3.1
56.05026	0.2
57.07082	1.0
59.04992	0.3
60.04531	1.1
61.02905	0.5
63.05379	0.2
64.10480	0.1
65.03944	0.2
67.05170	0.3
67.05503	2.6
69.03410	0.6
69.07066	5.1
71.52718	0.2
71.53093	0.2
74.06065	0.2
79.05497	1.7
81.07058	7.2
83.04985	1.0
83.08627	2.3
85.06562	0.8
85.10176	0.5
88.07625	0.7
91.01169	0.2
91.05481	1.3
93.07043	9.3
95.04953	1.3
95.08609	13.7
97.06541	2.9
97.10169	0.7
105.07024	3.2
107.07876	0.4
107.08597	6.4
109.06519	0.6
109.10157	5.0
111.08086	1.1
111.11738	0.3
111.25253	0.2
117.07013	0.9
119.04941	0.2
119.08592	4.3
121.06516	1.9
121.10138	2.7
123.08074	0.7
123.11710	10.5
125.09666	0.2
128.06183	0.3
129.07033	0.4
130.07764	0.2
131.08578	1.9
133.06451	0.2
133.10139	2.9
135.08070	2.5
135.11693	1.6
136.93108	0.2
137.09590	0.6
137.13263	0.3
138.28149	0.1
139.07550	0.5
142.07782	0.2
143.08557	2.3
145.10126	4.7
147.08086	1.0
147.11687	2.9
149.09615	0.6
149.13245	1.5
151.11176	0.8
153.09119	3.4
154.71207	0.2
155.08525	0.6
156.09351	0.6
157.08786	0.3
157.10133	4.5
159.08127	0.4
159.11697	5.3
161.09616	1.1
161.13252	2.7
163.07507	0.4
163.11177	0.7
163.14850	1.5
165.09026	0.2
165.12769	1.2
169.10124	3.8
170.10841	0.2
171.08228	0.2
171.11693	9.3
172.12436	0.3
173.09628	1.3
173.13269	2.4
175.07549	0.2
175.11234	1.1
175.14848	2.4
177.09227	0.2
177.12735	2.3
179.14319	0.3
181.08615	0.2
183.11641	1.3
185.09587	0.3
185.13260	4.5
187.11168	1.2
187.14827	1.1
188.12010	0.2
189.09181	0.2
189.12764	2.7
189.16344	0.3
191.10672	0.5
191.14265	0.9
197.13225	0.8
199.11171	0.4
199.14844	2.4
201.12793	0.7
201.16394	2.4
203.14325	8.8
205.12207	1.0
209.13306	0.4
211.14838	0.4
213.12787	1.5
213.16339	1.0
215.14297	0.4
215.18024	0.8
217.12245	0.6
217.15950	0.3
217.19514	0.5
219.13826	0.6
222.94423	0.2
223.14857	0.4
225.16367	0.5
227.14310	0.9
227.17879	0.4
231.13815	2.4
231.17448	0.2
231.21103	1.5
233.15430	0.8
239.17953	3.2
239.20274	0.1
241.15819	0.6
241.19514	9.3
243.17366	0.8
245.15440	1.5
247.16968	0.2
255.21106	1.1
257.19009	0.8
257.26697	0.4
259.20581	25.9
260.21048	0.2
261.18451	0.3
265.19528	0.5
271.28326	0.6
273.22202	1.2
283.20602	2.8
283.28201	0.2
301.21616	12.9
319.22668	100.0
319.30383	4.5
320.23059	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	Agallochin H
Peak:m/z	Relative Intensity
53.03943	0.6
55.00508	0.3
55.01866	0.4
55.05318	0.2
55.05515	2.4
57.03436	0.4
57.07086	0.5
57.43721	0.3
58.90984	0.3
61.02890	0.3
67.05240	0.3
67.05511	3.2
69.03432	1.9
69.06740	0.3
69.07061	2.0
70.16481	0.9
71.04971	0.4
79.05501	2.9
81.03421	3.1
81.07057	6.7
83.04974	1.9
83.08588	1.0
85.06512	0.4
89.08975	0.3
91.05486	3.2
93.07044	6.9
93.68747	0.3
95.04964	1.3
95.08070	0.5
95.08620	6.1
97.06528	0.8
97.10155	1.0
100.11269	0.4
105.06398	0.5
105.07038	5.7
107.04956	0.7
107.08598	6.4
109.06515	1.6
109.10155	4.4
111.08066	1.1
111.11792	0.3
114.16927	0.3
114.22736	0.3
117.07054	1.5
119.07823	0.4
119.08591	4.8
121.06531	1.7
121.09328	0.5
121.10149	6.3
123.08071	1.2
123.11719	0.8
125.09653	1.6
128.06270	0.5
129.07011	0.8
129.34212	0.3
131.08565	2.4
133.06511	0.6
133.10141	4.5
135.08060	2.4
135.11705	2.9
137.05968	0.3
137.09637	2.5
139.11119	0.6
143.08568	2.6
145.10139	3.7
147.08057	1.2
147.11703	2.7
149.09630	5.1
149.13260	1.7
151.09970	0.5
151.11197	7.5
151.64162	0.3
155.08568	0.6
155.10703	0.6
157.10141	2.6
157.12109	0.3
159.08130	0.3
159.11700	3.2
161.09589	2.0
161.13290	1.2
163.11191	3.8
165.12766	0.5
169.10127	1.1
171.08006	0.6
171.11684	1.9
173.09663	0.8
173.13313	1.5
175.11195	1.8
175.14774	1.0
177.12753	6.8
179.08496	0.4
179.10646	1.8
181.10100	0.6
183.11673	1.2
185.09671	0.3
185.13239	1.6
187.11180	1.1
187.14780	2.2
189.12744	1.3
195.11639	0.5
197.13275	0.8
199.11153	0.5
199.14845	2.6
201.12804	1.7
201.16377	0.5
203.14328	0.8
209.13252	0.8
211.14835	0.5
213.16396	0.4
215.14311	0.7
217.15884	1.3
223.14879	0.4
225.16283	0.7
227.14284	1.4
229.15930	0.3
235.16837	0.4
237.16061	0.4
241.15959	0.7
241.19595	0.7
243.17398	0.8
243.21011	0.3
255.17480	0.6
255.21033	0.5
257.19006	0.7
261.18481	0.5
265.19815	0.3
270.19946	0.3
271.20547	3.1
273.22083	0.4
283.20694	1.4
291.23282	0.9
301.21649	4.0
319.22678	100.0
320.22986	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	CAY10410
Peak:m/z	Relative Intensity
55.05503	1.9
57.07071	1.0
60.04520	0.5
60.60070	0.6
65.03956	0.5
65.04409	0.5
67.05508	4.2
69.06783	0.5
69.07076	4.9
69.42786	2.9
69.43198	1.4
75.52669	0.5
79.05499	7.8
81.06601	0.6
81.07062	11.1
83.08613	1.4
90.83413	0.5
91.05473	2.5
93.07044	7.7
95.08611	7.9
97.06508	1.0
97.10162	1.0
105.07035	3.9
107.08601	12.9
109.10165	6.8
110.13916	0.5
110.74261	0.5
111.08082	0.7
111.11705	1.2
117.07002	1.0
119.08574	3.8
121.10151	6.2
123.08082	0.7
123.11710	34.3
129.06956	1.0
131.08589	4.3
133.10120	4.0
135.08052	14.5
135.09019	1.1
135.11693	5.9
137.13222	1.0
143.08537	1.8
144.98784	0.6
145.10117	2.9
147.11682	2.8
149.09575	2.0
149.13293	2.8
157.10109	1.5
159.11681	3.3
161.13226	3.5
163.11183	2.8
163.14796	0.7
170.66653	0.6
171.11684	1.8
173.13275	4.1
175.11223	1.0
175.14824	1.6
177.11237	0.6
177.12727	12.3
185.13255	4.0
187.14830	1.1
189.12746	2.2
189.16345	3.1
191.14278	5.5
199.14795	4.2
201.16504	0.7
203.14310	2.0
205.15891	1.3
207.17242	0.6
213.16409	1.4
215.17982	2.2
217.15854	5.5
227.17961	1.8
227.92525	0.6
231.57660	0.5
245.22588	1.1
255.21098	23.6
257.26724	0.6
273.22131	100.0
274.22498	1.0
301.21619	1.5
319.22672	54.3
319.30185	3.4
320.22806	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2268
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
54.32472	1.0
55.05505	6.7
57.07069	2.5
58.07413	1.0
60.04519	1.6
63.61239	1.0
65.03908	1.2
67.05505	9.3
69.07071	16.4
73.51108	0.9
79.05486	10.0
81.07060	31.8
83.08616	4.4
88.07656	1.3
91.05486	10.9
93.03400	1.2
93.07048	25.9
95.04952	1.4
95.08614	19.7
97.10168	4.2
98.20736	3.1
99.96728	0.8
101.88347	1.0
102.75676	0.9
103.55854	1.0
105.07038	10.6
106.95680	1.0
107.04964	1.2
107.08598	24.4
107.90144	1.0
109.10153	18.6
110.41473	0.9
111.11742	1.3
115.05477	0.8
117.07021	7.3
119.04965	1.6
119.08579	13.9
121.06515	4.0
121.10144	20.0
123.11710	12.8
124.54929	1.0
128.26558	0.9
129.07037	5.2
130.07755	1.1
131.08553	10.7
133.10138	12.3
135.08047	9.2
135.11694	8.7
137.05988	3.4
137.09616	1.2
137.13254	1.6
139.07530	1.9
142.07899	1.3
143.08586	6.5
145.06494	1.8
145.10144	11.8
147.08072	1.4
147.11705	4.8
149.05983	1.8
149.09674	8.1
149.13258	17.1
151.07536	2.1
153.09149	4.1
155.08589	1.1
157.10138	6.2
159.08025	1.6
159.11700	9.9
161.09608	2.3
161.13252	2.5
163.07550	3.1
163.14822	22.4
163.16112	1.4
165.09076	1.9
167.10675	7.1
169.10098	1.9
171.11678	5.3
173.09552	1.0
173.13228	7.3
175.14786	2.6
177.09091	2.3
177.16406	1.3
179.10704	1.9
185.09695	1.4
185.13261	7.2
187.11162	4.9
187.14867	1.8
189.16328	1.8
191.10716	4.5
199.11143	1.5
199.14856	5.5
201.12753	2.6
201.16399	1.2
203.10571	1.5
205.12238	17.5
205.13992	1.7
213.12732	4.0
213.16370	3.8
217.12315	5.6
218.92216	1.1
219.13857	7.0
227.14491	1.8
227.17952	1.8
229.19516	2.5
231.13792	15.8
233.15271	1.3
245.15370	8.7
255.21074	14.6
259.16898	3.0
265.19315	1.2
266.08478	0.9
271.28186	1.2
273.22177	4.1
283.20560	8.3
301.21613	100.0
302.21848	1.3
319.22641	22.9
319.26624	1.3
319.30182	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	320.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.7
57.03429	9.3
67.05508	18.9
68.05835	2.8
69.03421	5.5
69.07060	9.3
70.63782	5.0
70.64138	2.8
71.04976	2.6
74.49367	2.0
79.05482	16.6
81.03424	50.1
81.07052	18.8
83.04564	2.2
83.04979	12.0
83.08617	17.8
85.02880	12.2
85.06518	2.6
85.25232	2.5
91.05483	18.7
93.07054	16.0
95.04979	19.8
95.08614	10.7
97.06513	5.4
97.10172	6.0
105.07015	15.1
107.04939	4.8
107.08607	7.1
108.08924	2.7
109.02876	2.4
109.06525	3.5
109.10147	4.5
110.10488	4.0
111.08077	10.8
119.08576	15.5
121.06553	2.5
121.10126	8.5
123.08054	3.3
125.09558	3.0
129.06970	8.4
131.08546	7.3
133.06458	4.2
133.10117	9.6
137.09619	2.9
147.11690	11.6
149.09619	7.5
149.13260	2.4
157.10167	10.7
165.12631	2.3
175.11205	10.3
193.12245	44.0
193.13911	4.2
211.13304	43.8
267.15878	7.0
281.00784	2.4
284.20963	4.6
285.16977	100.0
302.17569	3.5
302.21967	6.4
320.18643	12.4
320.22961	15.3
335.10956	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	320.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.0
55.05523	7.3
57.03431	5.3
67.05500	10.9
69.03410	2.3
69.07064	3.1
70.64201	2.2
70.64535	1.7
71.05001	2.7
79.05505	10.3
81.03422	38.1
81.07058	13.8
83.04626	1.0
83.04995	9.6
83.08617	14.4
83.76862	1.0
83.80788	1.0
85.02917	11.4
85.06577	1.1
91.05484	10.6
93.07052	9.6
95.04962	13.3
95.08613	6.1
97.02928	1.5
97.06509	2.8
97.10149	2.3
105.07036	10.9
107.04983	3.9
107.08589	5.6
109.02876	1.1
109.06511	2.7
109.10155	1.9
111.08058	5.9
111.88298	1.2
113.06031	1.7
119.08578	10.4
121.10178	6.1
123.04436	1.2
123.11756	1.5
129.07030	5.4
131.08604	7.4
132.40578	1.2
133.10146	4.9
137.09653	1.8
145.10149	1.9
147.11674	11.3
149.09615	4.9
157.10149	7.6
165.12764	2.7
175.11194	12.7
193.12253	52.2
211.13298	44.9
211.15308	2.3
229.14365	2.2
238.42883	1.2
267.15952	16.0
285.16977	100.0
320.22873	4.9
321.24176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0949
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
50.30281	3.8
50.69301	3.9
58.00436	3.8
69.93830	5.0
69.94125	23.8
94.93034	5.2
98.10569	3.9
100.02132	4.2
100.47497	5.2
112.89550	4.5
114.12631	4.4
115.93406	4.2
119.92493	6.1
126.12911	4.4
164.15866	4.5
321.05630	4.0
321.09344	100.0
321.11954	57.8
322.05634	9.4
337.59976	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98289	2.8
71.00426	4.9
71.00760	3.4
73.02895	3.5
82.99860	8.4
85.56881	2.2
87.11787	3.0
97.01385	6.9
101.00887	58.2
103.00639	3.3
104.46174	2.7
113.00873	26.6
113.03508	6.5
115.02461	22.7
117.03973	3.7
119.01928	56.3
119.92502	20.6
127.02429	2.6
129.03996	3.7
131.01904	31.4
133.03476	35.8
137.00870	3.3
137.02888	5.7
143.01910	20.3
145.03465	9.4
147.05022	3.2
149.02986	6.1
151.04477	2.8
155.01883	14.7
157.03430	6.0
159.05054	14.1
161.02939	23.1
163.04405	3.6
168.99809	21.8
171.01376	7.1
171.04994	15.5
173.02968	24.4
175.04494	2.9
177.02461	4.2
183.05019	3.3
187.00899	26.7
189.02432	13.2
189.06026	3.1
191.02390	3.6
191.03996	14.3
196.99341	10.3
201.02452	8.3
201.06067	5.9
203.03983	12.1
205.01913	5.9
213.02559	3.2
213.06097	3.5
215.00389	36.1
217.02122	3.7
219.03484	12.5
219.06966	6.2
221.05061	20.3
225.05968	3.0
229.01947	25.0
231.03630	6.6
231.07074	4.9
233.05074	18.5
243.07178	4.0
245.05106	5.6
247.03003	59.9
249.04607	3.2
261.04614	4.9
261.08142	20.5
265.03937	8.7
279.05994	4.9
279.09232	26.6
289.04050	10.9
320.98944	5.1
321.09448	100.0
333.18619	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
53.52206	0.3
53.55575	0.3
55.01871	1.9
55.05514	0.5
57.03424	0.4
57.72672	0.3
61.02929	0.4
65.03944	2.5
67.05517	0.7
68.99799	1.3
69.03436	3.5
69.07062	0.5
71.01401	0.7
71.04974	0.6
71.51298	0.3
73.02921	0.5
79.05495	0.6
81.03418	3.0
81.07080	0.8
83.04987	0.3
85.02911	3.4
87.00839	2.0
87.04465	0.4
91.05488	100.0
92.05825	0.7
93.07059	0.8
95.04951	0.3
95.08604	0.8
97.02883	0.9
97.06528	0.3
99.04450	0.9
103.05478	0.5
105.07047	1.8
106.58973	0.3
107.08646	0.4
109.02886	2.8
111.04440	0.5
111.08158	0.4
113.91766	0.3
114.26798	0.3
115.05486	1.3
117.07029	10.3
119.04942	0.7
119.08556	0.8
121.10180	0.3
122.06044	4.0
123.11710	0.3
127.03940	1.1
128.06255	3.0
129.01888	0.8
129.07010	6.2
131.04973	0.5
131.08534	1.6
132.95840	0.7
133.06502	1.0
134.06091	0.4
136.03998	0.5
136.07578	4.2
138.75397	0.3
141.06993	1.0
143.06227	0.3
143.08583	3.5
145.06511	4.1
146.06050	0.8
147.04451	0.7
147.08043	0.9
148.03978	0.4
150.05518	2.3
152.06181	0.4
153.06967	1.7
155.04930	2.5
155.06096	0.9
157.06551	1.2
159.08081	0.6
161.07147	0.4
162.05475	1.7
168.06639	0.8
169.06520	1.0
171.08055	4.2
172.03969	0.9
173.04593	0.4
173.05940	3.8
173.07094	0.5
174.05478	0.5
174.96899	0.7
175.07605	0.6
175.11288	0.3
181.06493	3.7
189.04057	0.7
189.06598	1.6
189.09146	0.4
190.05051	1.2
194.12596	0.6
199.07536	6.5
201.03983	0.3
207.59668	0.3
217.08589	3.8
218.04535	0.3
235.07196	0.8
235.09512	0.4
243.11238	0.3
268.16318	0.7
270.07178	0.3
277.08356	0.4
286.17307	0.4
303.12927	0.8
321.06827	0.8
321.10266	0.8
321.14288	0.8
321.17715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26056	0.5
53.03970	0.8
55.01899	0.4
55.05515	0.6
65.03960	0.7
65.92603	0.5
67.05512	6.8
69.07084	0.7
69.32584	3.9
70.18231	0.4
77.03943	0.8
79.05505	1.1
81.03432	1.1
81.07079	1.6
82.03771	1.0
83.08661	0.8
84.08989	0.5
91.05495	2.0
93.07047	2.4
94.06573	8.4
95.04994	1.0
95.08635	1.0
100.21410	0.5
105.07013	1.0
107.04916	0.5
107.08597	1.2
109.06573	0.5
109.10129	0.5
119.04951	0.5
119.08608	1.0
121.10124	0.9
122.06041	28.0
127.80119	0.5
135.11777	0.4
136.07590	57.0
140.07027	1.1
143.08524	0.5
145.09981	0.5
147.04437	2.2
147.11711	0.6
150.05487	0.5
161.05757	0.4
162.05501	1.5
164.07082	100.0
165.07422	0.9
172.03926	0.7
173.18835	0.5
177.20627	0.4
182.08142	76.8
183.08632	0.6
189.06598	1.3
190.05063	0.8
193.12312	0.9
194.12575	1.9
212.13730	0.7
213.13997	0.4
217.05994	0.5
218.04514	0.6
230.11830	0.9
234.82451	0.5
243.11395	0.7
258.11148	0.7
268.16309	1.3
285.12344	0.9
286.10834	1.0
286.17276	1.0
289.11771	0.8
303.13165	1.8
303.22989	0.7
304.11633	1.2
321.07190	0.6
321.14334	1.6
321.17993	0.5
321.24600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02073	0.4
53.03952	0.7
53.47608	0.4
54.21461	0.4
60.71134	0.5
60.71437	0.4
65.03935	0.8
67.05177	0.9
67.05511	10.1
69.07078	0.6
69.27501	0.4
69.42966	3.0
77.03905	0.7
79.05505	1.7
81.03414	1.6
81.07074	2.7
82.03783	0.8
83.04979	0.4
83.08636	0.6
91.05492	2.6
93.07062	2.7
94.06569	8.7
95.04971	1.1
95.08622	1.9
97.06571	0.7
105.07028	1.4
107.08604	1.9
108.08144	0.5
109.02924	0.5
109.10184	1.2
112.50843	0.4
117.07028	0.7
119.04943	1.2
119.08580	1.7
121.10161	1.4
122.06039	29.9
123.08051	0.5
131.08598	1.0
133.10132	0.6
135.11725	0.4
136.07588	59.3
140.07066	1.4
145.10155	0.5
147.04407	3.0
147.11696	1.1
149.13235	0.4
157.10193	0.8
159.11737	0.5
161.13216	0.5
164.07080	100.0
165.07289	0.7
169.10146	0.6
175.11206	0.6
177.12762	0.5
182.08142	83.3
183.08447	0.5
185.13197	0.6
188.07104	0.4
193.12289	0.6
194.12593	1.8
217.22015	0.5
227.17975	0.5
267.21088	0.5
268.16296	1.3
285.03961	0.7
285.11963	0.5
285.22049	0.9
286.10730	0.7
286.17303	0.8
303.13315	1.0
303.19839	0.7
303.23105	1.6
304.11682	1.0
321.10440	1.0
321.20721	0.5
321.24097	0.8
330.50186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06364	0.5
53.03955	0.8
55.05520	2.8
67.05508	5.1
69.03429	0.7
69.07074	5.2
70.68655	1.1
70.69022	1.2
71.05006	0.8
72.04512	1.2
72.12792	0.5
79.05500	3.9
81.03428	1.2
81.07073	7.4
83.05016	1.1
83.08614	1.1
86.09712	100.0
91.05483	2.3
93.07047	6.6
95.04977	8.1
95.08620	6.9
97.06530	1.4
97.10172	2.8
99.04414	0.8
103.05449	3.7
105.07027	5.2
107.04984	1.6
107.08611	5.2
109.06531	2.2
109.10150	3.7
111.08113	1.1
111.11710	1.0
119.08574	4.8
120.08115	100.0
121.06502	1.4
121.10171	4.6
121.71083	0.5
123.08105	1.0
123.11726	2.1
125.09661	1.1
128.10728	48.9
131.04930	2.4
131.08603	1.2
131.68398	0.5
133.10176	2.8
135.11694	2.7
137.09618	1.2
137.13254	0.6
139.11218	1.2
145.10147	2.0
147.11714	4.1
149.05991	2.0
149.09735	0.5
149.13278	1.5
151.11282	0.8
156.10228	15.7
159.11754	1.7
161.13277	1.7
163.11234	1.1
165.12767	1.8
166.08653	66.9
173.13275	0.8
181.12192	0.7
187.14859	0.8
201.16396	0.6
215.17810	0.8
267.21277	0.7
275.23730	1.3
285.22122	1.5
303.23181	6.3
321.17014	1.1
321.20724	1.3
321.24277	14.2
321.56369	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.6
55.01878	5.3
55.05519	44.1
57.03455	12.3
62.06101	4.5
67.05508	28.4
69.03434	5.3
69.07070	12.1
69.64018	2.2
69.84237	2.5
71.52953	2.6
79.05499	32.7
81.03439	5.1
81.07066	27.0
83.04979	12.4
83.08624	22.6
91.05495	31.8
91.06021	3.8
91.25583	2.4
92.74198	2.1
93.07053	29.8
95.04963	6.4
95.08614	18.8
96.57691	2.3
97.10178	37.9
105.07050	18.7
107.04987	6.6
107.08609	30.7
109.06519	7.8
109.10159	15.1
111.08090	5.9
115.05476	2.4
117.07026	19.1
117.83749	2.6
119.08591	65.1
121.06527	7.4
121.10165	8.9
123.08073	5.3
123.11745	4.8
125.09640	43.2
129.07047	5.4
129.80751	2.4
131.08566	14.0
133.06522	5.7
133.10149	8.3
135.08067	29.7
135.11707	5.3
137.09645	9.7
143.08560	6.1
145.06546	5.4
145.10127	12.8
147.08083	10.4
147.11729	5.6
149.09612	6.5
151.11230	3.8
153.09120	7.6
155.08696	4.1
157.10201	3.8
159.08067	42.4
159.11739	8.6
161.09665	9.1
163.07584	8.8
169.10126	5.5
173.09604	7.0
175.11214	4.7
177.09236	4.7
177.12798	4.7
187.11226	5.0
187.14914	2.8
191.80212	2.3
197.13362	3.8
203.12743	20.8
203.14255	3.0
211.14894	2.7
215.14261	5.4
225.16435	6.0
227.17923	2.8
233.15401	7.0
243.17534	4.4
253.15738	6.2
261.18323	3.8
271.16977	28.5
273.22037	4.8
285.22073	6.7
289.17987	100.0
303.19839	4.6
303.23282	14.5
321.20581	14.2
321.24289	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	321.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.7
55.01880	5.5
55.05509	15.0
57.03164	2.0
57.03439	33.3
57.07065	3.6
58.54976	1.0
59.05000	1.2
65.03934	1.7
66.43073	1.0
67.05140	1.2
67.05504	22.6
69.06802	0.9
69.07075	10.2
70.92434	3.4
71.04991	1.9
71.08608	2.1
79.05081	1.4
79.05500	19.0
81.03429	1.7
81.07056	22.7
83.04986	27.1
83.08621	6.6
85.06544	5.5
85.06964	1.3
88.18845	1.1
91.05480	21.0
93.06508	1.4
93.07051	21.5
95.04993	6.6
95.08612	20.3
97.06522	3.7
97.10132	3.1
99.04443	3.3
99.08081	2.0
103.05431	2.2
105.07033	14.9
107.04958	28.9
107.08604	13.2
107.94231	1.3
109.06512	26.8
109.10172	8.2
111.04447	18.8
111.08060	4.8
113.05999	3.1
115.05418	1.4
117.07005	10.2
119.08587	15.5
121.06503	7.6
121.10155	8.9
123.04408	2.4
123.08066	40.7
123.11687	2.4
125.05975	4.1
125.09669	2.0
128.06276	1.3
129.06992	6.5
131.08566	13.2
133.06520	7.0
133.10124	9.7
135.04448	1.3
135.08052	12.3
135.11687	4.8
137.05968	2.1
137.09639	5.5
139.07536	1.3
141.06972	2.7
143.08543	4.4
144.05690	1.1
145.06483	3.9
145.10138	8.6
147.08078	7.3
147.11687	4.9
149.05972	3.8
149.09602	4.9
149.13249	2.5
151.07527	2.7
151.11169	2.1
155.08522	3.3
157.10101	3.6
159.08070	8.6
159.11658	5.5
161.05930	1.5
161.09656	6.9
161.13229	2.4
163.07553	4.3
163.11174	4.7
165.08961	1.0
167.10724	1.3
169.10118	3.9
171.11659	6.2
173.09624	6.1
173.13205	3.6
175.11208	3.2
176.04092	1.4
177.09157	2.9
177.12721	9.5
178.13530	1.8
179.14314	50.0
183.11766	2.0
185.13245	1.3
187.11118	2.5
187.14857	4.5
189.09117	1.7
189.12744	2.6
191.10880	1.6
193.15926	2.2
197.13258	3.4
199.11218	1.7
201.09056	1.5
203.14264	1.2
205.15900	6.9
211.14784	2.3
215.14369	5.9
225.16312	2.3
233.15384	27.9
243.17432	8.4
247.16768	1.8
253.15816	4.3
261.18497	13.8
265.17996	7.9
271.16925	16.3
271.62656	1.1
275.20053	1.7
285.22327	1.2
289.17987	47.8
303.19901	2.2
303.23193	6.0
321.24231	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.05499	3.5
67.05514	7.2
69.03424	1.3
69.07066	6.5
69.09385	1.0
69.90451	3.6
69.90872	2.0
74.14596	1.1
79.05487	6.4
79.08165	1.3
81.07067	17.2
83.04979	3.4
83.08618	4.5
91.05463	4.9
93.07048	12.3
95.04984	1.7
95.08608	14.9
95.51360	0.9
96.64425	0.9
97.06548	1.2
98.21477	2.1
105.07042	6.4
107.08595	13.6
109.06509	1.7
109.10155	10.9
117.07041	2.1
119.08591	8.6
120.60732	1.1
121.06496	3.2
121.10147	8.6
123.08057	2.6
123.11715	14.4
125.09608	1.3
129.07031	1.3
131.08601	3.0
133.10175	5.4
135.08043	4.8
135.11679	4.4
137.09578	2.5
143.08609	2.8
145.10162	5.2
147.08093	2.2
147.11699	5.0
149.13293	2.5
151.11218	1.6
155.08589	2.1
155.10626	1.1
157.10181	5.4
159.11696	5.9
161.09619	4.1
161.13223	7.0
163.14844	2.8
165.12766	2.5
169.10159	3.5
171.11710	5.7
173.13260	3.5
175.14856	5.3
177.12769	8.1
179.14323	1.9
183.11667	1.9
185.13275	5.3
187.11217	1.3
187.14845	3.5
189.12770	3.0
191.14226	1.6
194.62218	1.3
197.13246	3.6
199.14821	2.5
201.16403	1.3
202.01990	1.0
203.14354	11.0
211.14761	2.6
213.16394	2.3
215.14349	5.0
215.17929	1.2
217.15877	1.4
225.16339	2.2
227.17964	6.2
229.15825	2.6
233.15193	1.1
236.20981	1.0
241.19556	2.3
243.17439	2.6
243.21074	1.2
245.18993	1.2
245.22638	1.2
255.21071	1.3
257.22562	1.6
259.20654	3.1
267.21106	5.4
273.22141	18.0
285.22147	22.8
285.25229	1.1
303.23206	37.3
321.24258	100.0
322.24438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.02968	1.0
55.05516	4.4
67.05513	6.0
69.03425	1.0
69.07077	4.6
69.51414	6.1
70.21853	0.9
72.47898	0.8
78.15323	0.8
79.05492	4.7
81.07060	11.6
83.04967	2.6
83.08616	3.4
91.05476	4.4
93.07059	7.9
95.04946	1.6
95.08612	14.0
97.06548	1.2
105.06994	6.1
107.08600	10.2
109.06554	1.5
109.10159	8.9
111.08089	1.3
119.08572	8.8
121.06517	3.6
121.10171	6.8
123.08073	2.6
123.11710	9.6
129.07019	1.6
131.08589	3.4
133.10159	4.6
135.08084	4.1
135.11710	3.5
137.09563	0.9
143.08566	2.5
145.06479	1.2
145.10133	6.3
147.07986	1.3
147.11697	3.9
149.09634	2.5
149.13280	2.2
151.11183	1.0
155.08542	1.6
157.10144	5.3
159.08098	1.4
159.11696	4.1
161.09644	3.3
161.13292	4.1
163.11148	1.1
163.14835	2.2
165.12750	1.5
169.10092	1.9
171.11743	5.2
173.09630	1.4
173.13295	3.2
175.11147	1.5
175.14842	3.8
177.12784	5.8
179.14308	2.2
180.65794	0.9
183.11726	2.1
185.13336	5.3
187.11227	1.1
187.14861	2.7
189.12737	2.6
191.14281	1.2
197.13255	4.4
199.14896	2.1
201.16344	1.1
203.14362	8.5
211.14836	2.2
213.16444	1.7
215.14392	4.2
215.17833	1.2
216.47623	1.0
227.17905	5.8
229.15753	1.8
233.15302	1.1
241.19531	1.8
243.17493	2.8
243.21030	1.2
255.21068	1.9
257.18845	1.7
257.22629	1.9
259.20612	2.2
267.21039	3.9
273.22137	10.9
285.22156	14.5
303.19656	1.7
303.23187	48.1
321.24258	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.05500	1.9
55.80641	0.4
57.07068	0.9
58.47625	0.4
61.02913	1.8
62.06079	1.0
63.10273	0.4
67.05507	5.1
69.07067	3.8
69.16228	1.5
69.16649	2.9
79.05492	2.8
81.07056	14.9
83.04973	0.8
83.08595	1.7
91.05476	3.1
93.06564	0.6
93.07060	6.0
95.04979	0.9
95.08607	23.0
97.10179	2.0
98.21503	0.9
105.07036	6.7
107.08596	6.5
109.06521	1.3
109.10162	13.8
111.08083	0.6
111.11730	1.1
115.05424	0.5
117.07031	1.2
119.08586	6.7
121.06512	1.3
121.10161	4.5
123.08080	5.8
123.11705	17.7
125.09653	0.4
129.07013	0.9
131.08539	3.3
133.10146	5.3
135.08037	0.9
135.11691	3.3
137.09613	5.3
137.13254	1.2
142.66991	0.5
145.10135	4.2
147.08037	1.0
147.11678	5.6
149.09679	0.6
149.13255	3.5
151.11272	0.6
157.10211	0.7
159.08072	0.5
159.11685	4.7
161.13257	5.7
163.14806	3.4
165.09157	1.0
165.12741	0.5
171.11758	0.4
173.13269	5.4
174.13998	0.7
175.14822	2.8
177.12680	0.7
185.13304	0.5
187.14827	6.9
189.12721	0.5
189.16356	0.6
191.14453	0.4
200.15303	0.5
201.16393	1.6
203.14307	0.4
210.85754	0.4
243.21104	28.3
261.22144	100.0
262.22473	1.0
267.21027	0.5
273.22168	1.7
273.66760	0.4
285.18979	0.5
285.22147	1.9
289.17972	1.0
303.23193	8.6
321.24033	5.5
330.23752	0.5
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	19S-HETE
Peak:m/z	Relative Intensity
53.03953	2.7
55.05513	19.9
57.03423	5.7
57.07070	9.2
58.67791	2.8
59.04991	3.4
67.05507	23.8
69.07078	43.5
69.62842	2.9
69.75449	15.3
70.06584	6.1
71.04998	11.4
71.06923	2.8
75.04491	6.6
79.05495	17.5
80.40193	2.6
81.07060	44.0
83.04980	12.2
83.08627	17.6
85.02953	2.6
85.06545	6.7
87.04462	11.5
88.07635	7.0
90.60073	2.5
91.05488	18.7
93.07043	68.0
95.04972	10.5
95.08614	69.7
97.06500	19.3
97.10152	3.4
98.21403	5.0
99.04473	6.2
99.08070	8.1
102.09177	3.6
105.07018	28.3
107.08595	68.8
109.06499	6.0
109.10162	40.9
111.08084	5.7
111.11708	3.7
113.09669	6.6
115.07588	10.8
119.08586	49.3
121.10151	44.3
123.08076	6.5
123.11684	16.7
125.09662	4.2
129.09192	3.1
129.71883	2.6
131.08597	15.1
133.00204	2.7
133.10124	41.7
135.08049	5.1
135.11708	29.8
137.09613	13.3
137.13295	4.1
139.07552	7.6
139.11115	4.1
141.09122	9.1
143.07022	5.3
143.08560	7.1
145.10146	18.7
147.11705	37.9
149.13277	34.1
151.11172	3.7
155.08597	3.6
155.10674	7.1
157.07390	1.9
157.08624	48.5
157.10112	10.8
159.10207	15.5
159.11728	21.8
161.13272	31.4
163.14830	100.0
164.00720	2.9
169.08621	4.8
169.10068	3.9
171.11734	8.8
173.11806	4.8
173.13287	10.3
175.11247	4.6
175.14816	16.2
177.16458	5.7
183.10207	4.0
185.13284	9.0
187.14857	11.4
189.12750	2.8
189.16368	16.4
192.14227	2.9
193.12277	3.7
197.13318	4.8
199.14725	6.5
201.16357	16.0
203.17949	14.6
205.15627	4.3
207.13921	3.2
211.14833	4.7
213.16347	3.4
215.14427	6.1
215.17999	12.5
217.19522	41.5
227.17946	10.8
229.15916	6.5
229.19403	3.3
243.17537	3.5
243.21025	15.5
255.21332	3.5
257.22839	3.6
257.26706	9.7
258.27090	4.0
259.27249	13.0
267.21176	9.8
273.22040	7.9
285.22128	34.2
303.19971	5.1
303.23166	37.6
321.20926	3.3
321.24286	90.9
321.30807	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2426
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05513	4.6
57.03423	0.6
58.08202	0.6
59.04995	0.6
61.38161	0.6
62.42877	0.6
65.82054	0.6
67.05509	5.6
69.03424	2.1
69.07074	6.4
70.69836	1.1
70.70163	0.7
79.05491	4.8
81.06593	0.8
81.07063	12.9
83.04965	2.7
83.08624	5.3
85.06531	1.0
86.37907	0.6
91.05489	3.6
93.06479	0.9
93.07047	10.6
95.04967	1.4
95.08606	14.1
97.06549	1.4
97.10153	1.2
97.38940	0.7
105.07037	7.7
107.04960	1.0
107.08607	12.5
109.06503	1.6
109.09477	0.8
109.10168	10.7
111.08083	1.1
111.11736	0.8
117.06987	1.3
119.08598	7.7
121.06515	2.8
121.10160	6.8
123.08056	2.2
123.11724	9.4
129.07016	1.5
131.08575	2.8
133.10155	6.0
135.08072	3.6
135.11711	3.4
137.09624	1.2
139.11147	1.8
141.09105	1.9
143.08604	3.6
145.10126	5.1
147.08078	1.9
147.11703	4.1
149.09637	2.1
149.13249	2.4
151.11211	1.6
155.08592	1.6
157.10152	4.4
159.08081	2.0
159.11723	5.5
161.09676	3.2
161.13280	5.0
163.11157	1.4
163.14786	3.2
165.12773	1.5
169.10135	1.8
171.11720	6.0
173.09621	1.9
173.13245	3.1
175.11201	1.4
175.14824	4.9
177.12775	7.2
179.14342	1.6
183.11607	1.2
184.14258	0.6
185.13271	4.6
187.11165	0.9
187.14799	1.8
189.12726	2.0
189.16412	1.4
191.14322	2.4
197.13249	4.4
199.14906	3.2
199.16432	0.7
201.12720	1.7
201.16455	1.9
203.14362	10.1
205.15936	0.9
211.14851	2.7
213.16429	1.5
215.14354	6.1
215.17928	1.7
217.15904	1.7
225.16551	1.3
227.17943	6.9
229.15932	2.2
231.17282	0.7
233.15358	2.1
241.19516	1.7
243.17430	2.0
243.21123	1.6
245.19058	1.0
245.22537	0.6
255.21072	2.0
257.18997	1.2
257.22675	1.9
259.20633	2.3
267.21097	4.6
273.22141	10.9
275.23770	0.9
285.22134	14.8
303.23203	48.0
313.73581	0.6
321.24261	100.0
322.24530	0.7
330.55478	0.6
344.60657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.03937	2.3
55.05513	11.9
57.07074	5.9
67.05510	18.1
68.17838	1.6
69.07075	16.6
69.23507	14.6
71.05023	2.1
78.03935	1.5
79.05495	17.5
81.06581	3.4
81.07057	45.9
83.04991	3.4
83.08639	11.1
91.05491	13.9
93.07045	30.3
95.04958	5.6
95.08608	42.0
97.06528	3.3
97.10162	4.8
98.20773	2.7
105.07029	31.1
107.04950	1.9
107.08595	30.6
109.06515	7.4
109.10159	28.4
111.08083	2.5
111.11703	5.7
117.06993	4.5
119.08588	28.4
121.06510	3.2
121.10150	40.3
123.08062	5.6
123.11710	18.6
125.09616	3.0
128.06227	1.6
129.06969	7.3
131.08578	18.9
133.10141	29.3
135.08064	4.8
135.11707	11.9
137.09625	5.6
137.13216	1.7
138.56546	1.5
139.11183	14.2
141.12724	1.8
142.07779	5.6
143.08571	28.4
145.10127	26.7
147.08040	4.3
147.11690	38.2
149.13239	8.5
151.11201	3.3
155.08585	4.7
156.09299	4.0
157.10144	21.7
157.12160	2.3
159.11690	26.2
161.09654	3.3
161.13281	12.5
163.11188	8.4
163.14816	3.3
165.12766	13.6
169.10118	4.7
171.11649	13.6
173.09584	2.4
173.13289	14.6
175.11259	4.2
175.14807	7.7
177.12773	12.0
179.14209	2.9
183.11674	6.5
185.13271	19.3
187.11156	2.5
187.14842	10.3
189.12709	3.9
189.16452	3.0
197.13293	5.7
199.14726	8.5
201.16391	11.9
203.14305	9.0
203.17931	10.6
211.14799	7.8
213.16437	3.8
215.14308	7.0
215.17961	22.8
217.15935	4.2
217.19577	1.9
225.16399	3.8
227.17953	26.2
229.15855	4.6
229.19531	2.1
233.00063	1.7
241.19540	3.7
243.17491	3.3
243.21065	12.9
245.19032	28.1
247.17073	1.8
255.21054	6.6
257.19034	2.5
257.22580	2.7
259.20596	2.4
263.20050	16.6
267.21066	12.8
273.22165	17.3
275.16324	3.9
285.22156	39.5
303.15991	2.1
303.23193	56.4
307.34714	1.6
321.24243	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	11,12-EET
Peak:m/z	Relative Intensity
53.03940	1.4
55.01859	2.4
55.05511	32.2
57.03418	2.2
57.07078	3.3
59.04987	2.7
65.03925	1.9
67.05507	21.0
69.03431	4.6
69.07069	44.2
69.59084	3.8
71.01355	1.0
71.04994	8.3
71.08611	0.8
73.06547	0.9
79.05078	1.0
79.05492	14.9
81.03404	1.3
81.07056	54.8
83.04981	6.7
83.08615	8.1
85.06547	5.7
87.04479	1.0
91.05479	13.8
93.07043	47.4
95.04970	47.0
95.08607	46.8
97.06023	0.7
97.06538	8.7
97.10171	31.3
98.97602	0.8
99.08092	3.3
101.06001	0.8
105.07032	30.3
107.04972	1.0
107.08595	43.9
109.06519	18.8
109.10159	31.8
109.10921	1.2
111.08104	6.6
111.11713	8.7
113.06004	0.6
113.09629	1.1
115.07566	1.1
115.11201	1.4
117.07017	2.6
119.07707	0.8
119.08582	24.4
121.06503	4.3
121.10145	40.6
123.08075	7.9
123.11709	16.8
125.06030	0.9
125.09625	5.4
129.06995	1.1
131.08574	7.2
133.10126	14.9
135.08076	3.4
135.11693	24.2
135.12726	1.2
137.09596	5.9
137.13231	3.9
139.11176	15.6
143.08607	1.8
143.10657	4.3
144.09323	0.8
145.10114	12.8
147.08037	1.0
147.11687	30.8
149.09637	4.3
149.13245	6.0
151.11179	10.8
151.14767	0.9
153.12741	5.7
155.08609	0.8
155.10638	1.1
157.10106	2.0
157.12242	9.8
159.08084	1.0
159.10461	1.2
159.11693	14.7
161.09659	1.5
161.13261	10.9
163.11183	12.0
163.14806	2.2
165.09076	1.5
165.12762	19.9
165.16385	0.8
167.10661	1.2
169.10150	1.2
171.11693	2.4
171.13808	2.1
173.13205	5.0
175.11198	0.9
175.14792	4.9
177.12755	5.3
177.16425	1.6
179.10637	1.1
179.14316	2.9
181.12303	3.0
181.15782	0.9
183.11748	1.2
185.13202	0.9
187.11188	1.9
187.13402	0.9
187.14789	4.5
189.11227	0.9
189.12764	1.0
189.16377	1.7
191.07147	0.8
191.14268	2.1
191.17906	0.9
193.12260	1.2
193.15881	1.3
195.13730	1.0
197.13249	1.2
201.12743	0.8
201.16371	2.9
203.12740	1.6
203.14363	1.0
203.17891	1.6
205.15860	2.4
209.15311	1.0
211.14803	1.8
213.16272	1.2
215.17978	1.9
217.19420	1.0
219.17389	1.1
221.15532	1.0
221.19044	1.1
223.17065	0.8
227.17880	1.1
229.15938	0.9
229.19545	0.7
231.17557	1.0
233.15437	0.7
243.17465	2.8
243.21123	1.2
247.17004	1.0
249.18411	1.0
251.16451	0.8
255.21257	0.6
257.18970	1.0
257.22629	4.2
261.18497	2.6
261.22061	0.8
263.20096	1.2
265.17984	0.8
267.21075	2.5
273.22104	1.1
275.20486	1.3
275.23691	11.5
277.21619	1.7
285.15161	1.0
285.18655	1.5
285.22116	7.3
291.23224	1.8
293.24747	2.6
303.15994	1.6
303.19833	2.7
303.23169	61.6
321.20895	4.8
321.24219	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	11,12-EpETrE
Peak:m/z	Relative Intensity
53.03939	2.3
55.05507	14.6
57.07072	3.8
59.04997	2.5
65.03923	2.2
67.05502	19.2
69.03424	3.5
69.07072	19.7
69.19464	13.9
69.89613	1.6
71.04984	5.0
79.05499	11.7
81.07056	39.2
83.04952	2.4
83.08625	8.0
85.06535	4.0
91.05484	9.4
93.07050	28.5
95.04967	8.9
95.08609	38.1
97.06528	5.8
97.10148	5.0
98.21480	2.8
99.08091	3.6
100.11305	1.7
101.05977	1.5
103.05417	1.5
105.06407	2.1
105.07037	22.4
107.04939	1.8
107.08601	32.8
109.06495	5.8
109.10164	42.8
111.08103	4.6
111.11735	3.0
115.07551	5.5
117.07005	3.8
119.08586	27.6
121.06525	2.7
121.10145	30.4
123.08070	4.2
123.11713	16.9
125.09631	5.1
129.06985	2.6
131.08574	9.7
133.10141	19.5
135.08041	4.1
135.11697	17.4
137.05997	1.8
137.09621	6.1
137.13228	3.7
139.11169	3.6
141.09087	1.8
143.08545	5.2
143.10658	2.1
145.10123	15.0
147.04369	1.9
147.11691	17.9
149.09608	4.5
149.13213	8.5
151.07524	1.8
151.11223	8.7
153.12718	3.6
155.08662	1.5
157.10165	6.7
159.11685	14.7
161.09656	1.9
161.13246	14.2
163.11182	6.9
163.14825	9.1
165.12744	12.3
167.10710	2.3
171.11678	5.3
173.13286	11.7
175.11171	2.7
175.14832	8.0
177.12785	13.1
179.14278	1.5
183.11700	2.9
185.13281	6.5
187.14795	11.0
189.12779	3.1
189.16342	4.1
191.14317	6.2
191.17926	1.7
193.15828	2.9
197.13354	2.1
199.14801	4.6
201.12709	2.6
201.16382	7.3
203.14415	2.0
203.17845	2.5
205.16003	3.8
207.17448	2.2
211.14905	2.3
213.16370	2.1
215.14409	1.9
215.17947	5.0
219.17377	1.9
225.16301	2.0
227.17978	5.4
229.15962	2.1
231.17412	2.6
233.18954	4.5
241.19432	1.6
243.21075	4.4
245.19026	5.0
255.21016	3.7
257.18652	1.7
257.22586	2.1
263.19986	1.7
267.21146	6.8
273.22092	11.0
275.16397	1.8
275.20010	2.0
275.23590	4.1
285.22153	19.8
291.23206	4.4
303.15982	1.6
303.19699	3.3
303.23154	32.3
304.16440	1.8
321.24222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2424
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05516	3.6
63.58694	0.6
67.05504	6.1
69.03428	1.2
69.07065	3.7
70.77837	1.6
71.04972	0.7
76.70396	0.6
79.05494	5.6
81.07060	13.4
83.04498	0.9
83.04982	17.5
83.08640	1.5
91.05475	4.4
93.07045	13.1
93.07632	0.7
95.04957	1.3
95.08610	14.6
97.06524	2.4
97.10191	0.8
105.07028	10.9
107.08588	14.3
109.06503	1.9
109.10160	10.5
111.08080	1.6
117.07014	1.3
119.08595	10.7
121.09319	1.2
121.10139	12.1
123.08079	4.0
123.11754	3.1
125.09601	1.8
131.08566	3.4
133.10126	7.7
135.08044	5.1
135.11699	7.6
137.09612	3.9
137.13263	1.5
139.11191	1.7
145.10118	3.9
147.11697	8.2
149.09615	2.4
149.13281	4.5
149.23911	0.7
151.11156	4.1
157.10121	1.1
159.11684	3.4
159.20126	0.7
161.13251	6.8
163.11177	2.8
163.14854	1.3
165.12755	1.7
169.10109	0.8
171.11691	1.4
173.13275	1.7
175.11154	0.9
175.14763	1.5
177.12718	1.7
177.16489	0.9
179.14264	1.4
185.13243	1.9
187.14815	2.5
189.12700	1.2
189.16400	0.9
191.14191	0.6
201.16382	1.5
203.17899	0.6
205.15880	1.3
211.14798	1.4
219.17618	0.6
227.17915	0.7
229.15817	0.7
243.21095	1.0
255.21022	2.8
259.20828	0.7
261.22220	1.6
267.21078	2.2
273.22025	3.1
285.22168	2.4
303.23221	4.5
321.24246	100.0
322.24692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2425
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
53.03936	0.5
55.05264	0.5
55.05511	3.3
57.01883	0.4
57.07063	1.0
59.45442	0.4
61.02904	0.5
67.05506	5.6
69.03419	1.2
69.07070	3.0
79.05497	5.8
81.06593	0.9
81.07059	14.5
83.04984	14.5
83.08611	1.3
85.80358	0.5
91.05494	5.6
93.06492	0.9
93.07047	13.5
95.04961	1.3
95.08608	14.7
97.06544	2.2
97.10168	0.9
105.06404	0.8
105.07040	10.9
107.08597	15.8
109.06529	2.7
109.09393	0.5
109.10161	11.2
111.08062	1.6
117.07044	1.1
119.08578	11.6
121.06511	0.8
121.10143	11.1
123.08075	4.0
123.11713	4.6
125.09604	2.0
129.07039	0.6
131.08557	2.7
133.10132	6.8
135.08066	5.7
135.11699	8.3
137.09627	3.2
137.13255	1.7
139.11180	0.7
143.08556	1.4
145.02890	0.5
145.10127	4.3
147.11699	8.3
149.09589	1.8
149.13249	3.8
151.11195	4.8
153.12735	0.5
157.10135	1.2
159.11693	3.8
161.09619	1.3
161.13255	6.5
163.11240	2.5
163.14832	1.8
165.12770	1.7
169.10199	0.7
171.11684	1.6
173.09602	0.5
173.13258	2.1
175.11119	0.8
175.14842	1.5
177.05469	1.1
177.12703	1.4
179.14320	2.1
183.11696	1.1
185.13239	2.1
187.14792	2.6
189.12793	0.8
189.16336	1.0
191.14363	0.8
197.13200	0.8
199.14853	1.6
201.16428	1.4
205.15952	1.2
211.14735	1.2
213.16451	0.6
215.17923	0.7
217.15797	0.9
225.16347	1.1
227.17990	1.6
229.15938	0.7
243.21149	1.4
245.19078	0.6
250.65318	0.5
255.21069	1.7
259.20264	0.7
261.22095	1.2
267.21048	2.1
273.19580	0.6
273.22144	2.6
285.22192	4.5
303.23175	6.9
321.24246	100.0
322.24484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04039	1.6
69.03426	4.1
70.06593	1.6
70.15715	3.9
70.16109	3.8
74.24741	1.6
85.02903	5.8
94.27426	1.4
97.02898	2.3
98.20918	2.2
100.74136	1.6
101.00861	2.5
102.00961	1.7
119.01894	1.9
127.03940	3.2
131.01881	2.3
132.01970	2.7
143.01849	1.9
144.02084	3.1
173.03026	2.2
174.03123	2.7
183.01489	1.7
190.01248	18.8
201.02629	1.8
202.02650	6.6
219.03595	2.6
220.03667	8.2
230.02031	2.0
232.03653	3.2
248.03076	4.1
272.06866	1.8
281.36041	1.8
290.04272	2.1
322.05484	100.0
338.28839	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	322.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	0.5
55.05493	0.5
59.59766	0.3
65.03941	1.1
67.05505	1.1
68.05820	0.4
69.92242	1.9
70.06589	0.9
79.05476	0.8
81.03426	1.0
81.07055	0.5
83.05035	0.4
91.05488	10.6
91.38503	0.3
93.07040	0.9
94.06560	0.5
94.21898	0.4
95.04983	0.5
95.08636	0.8
99.76209	0.3
105.07071	0.6
119.04956	25.2
119.08611	0.4
120.31190	0.4
120.51185	0.4
122.06032	2.5
123.06387	1.5
124.07584	0.4
130.08646	1.7
132.72627	0.3
136.07582	4.2
137.07942	3.0
147.04427	100.0
147.11722	0.6
148.04834	0.7
164.07080	6.8
165.07446	7.1
182.08150	6.2
183.08488	4.7
201.11324	0.4
255.08777	0.5
322.12842	0.4
322.20166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01866	6.0
55.05511	7.5
57.03429	6.6
57.43230	2.2
58.73975	2.0
59.05009	2.6
60.96098	2.0
67.05510	37.8
68.99802	2.6
69.03433	9.0
69.07062	4.2
70.10258	7.9
70.60133	2.4
71.83533	2.3
79.05510	16.0
81.03400	2.5
81.07054	30.6
83.04968	5.3
83.08611	3.8
85.02919	6.9
87.00869	3.5
91.05486	18.5
93.07043	14.0
95.01347	7.7
95.04958	6.7
95.08610	6.0
97.06525	17.1
98.20918	3.4
102.47203	2.2
103.05479	2.1
105.07039	7.3
107.04988	7.2
107.08590	2.5
109.06522	16.9
109.10164	45.3
111.08052	3.7
113.02369	2.3
115.05476	2.8
117.07034	6.1
119.04984	5.7
119.08587	13.5
121.06510	29.0
121.10141	2.8
123.04445	4.9
123.08051	3.3
125.06009	2.5
131.04927	3.6
133.06480	2.4
135.04321	3.6
135.08049	5.6
137.02388	2.1
137.05965	7.0
137.09579	5.5
139.03929	4.7
139.07530	2.5
147.08063	6.9
149.06001	34.8
155.10672	28.7
163.07574	14.0
165.05380	2.5
165.09129	12.8
167.06998	3.6
173.04561	2.3
173.05948	3.6
173.11740	81.7
175.07515	2.3
177.05460	3.7
177.33237	2.3
181.08589	6.5
183.10144	4.4
191.07048	18.6
193.08569	12.1
195.06544	4.8
197.04463	5.5
209.08095	32.2
211.09694	13.3
219.06464	6.6
226.16614	2.2
227.09131	3.1
237.07559	13.5
251.09084	6.4
255.08644	100.0
269.10217	61.2
273.09662	14.4
273.12296	2.8
277.84631	2.1
287.11200	11.6
322.16312	2.6
322.20135	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	322.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01870	4.4
55.05511	11.0
57.03435	5.8
58.26231	1.8
59.05009	3.2
65.03938	3.2
67.05182	2.6
67.05509	34.5
67.34125	2.1
68.99797	2.7
69.03430	11.4
69.07059	6.6
69.84387	4.2
69.84784	3.8
71.01359	1.7
71.04979	3.2
73.24308	1.8
79.05493	27.1
81.03403	4.1
81.06592	3.3
81.07056	43.5
83.04990	3.8
83.08608	5.2
85.02907	10.4
87.00801	2.5
91.05485	16.2
93.07044	14.1
95.01314	8.8
95.04976	13.8
95.08588	8.7
97.02900	8.9
97.06535	21.7
98.94679	1.7
99.02434	1.7
100.11267	2.3
101.02399	1.7
103.05439	3.3
105.07052	10.2
107.04949	6.6
107.08591	6.9
109.02888	2.2
109.06519	24.2
109.10162	42.1
111.04433	4.6
111.08089	4.0
113.02352	2.4
114.92522	1.7
115.05409	3.0
117.07022	5.2
119.04918	6.7
119.08578	13.9
120.08115	1.8
121.06515	7.6
121.10127	4.6
123.04405	5.3
123.08067	5.5
123.11681	2.0
125.05977	4.0
129.07004	2.3
131.08560	7.0
133.10149	2.0
135.04367	3.3
135.08032	5.1
135.11618	2.3
137.05974	6.9
137.09593	4.5
139.03893	7.0
139.07545	2.6
141.01854	2.9
145.06378	3.5
147.04404	3.0
147.08058	7.3
149.05971	8.2
149.09621	3.2
151.07533	3.9
155.07028	5.4
155.10672	17.7
159.02942	2.2
161.05960	2.2
163.07539	10.1
165.09138	17.6
167.06979	2.7
173.11742	79.4
175.07538	4.5
181.08574	7.4
183.10207	5.3
191.07043	6.4
193.08614	22.0
197.04443	4.8
199.09618	9.7
205.12285	3.0
209.08110	13.9
211.09644	11.2
219.06453	2.2
223.13521	2.7
227.09108	8.0
237.07625	8.9
240.67654	2.4
251.12779	3.0
255.08640	100.0
255.78792	2.0
269.10205	36.0
269.13336	2.3
273.09659	7.4
287.11368	16.1
304.19183	3.6
307.41599	2.1
322.09561	2.3
322.20319	5.9
322.24261	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.8
55.05510	5.3
57.07064	1.0
58.67612	0.7
60.04537	0.8
62.06093	100.0
62.18733	0.7
67.05507	14.2
69.07070	5.6
72.03418	0.7
72.03849	0.7
79.05502	9.3
81.07062	14.7
83.08622	1.7
86.69762	0.6
91.05483	4.7
93.07058	10.8
95.04936	1.3
95.08069	0.9
95.08615	12.8
97.10169	1.3
105.07048	2.7
107.08607	7.4
109.10155	5.7
116.61880	0.7
117.07011	1.3
119.08551	2.2
121.10151	4.1
123.11699	2.3
125.09608	1.0
131.08546	2.5
133.10117	1.8
135.11700	3.9
137.13261	1.1
145.10112	2.2
149.13309	1.4
161.13312	1.3
163.14806	1.0
173.13264	1.2
177.16409	1.4
186.14864	0.8
200.16521	0.9
214.18013	1.0
234.91452	0.9
243.21028	2.1
261.22253	3.6
266.21155	0.7
291.19458	5.1
304.26297	2.0
305.24692	1.6
322.24191	1.1
322.27466	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	323.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44678	1.0
52.79258	1.1
67.05502	3.7
69.03428	2.5
69.28471	10.2
70.06590	2.7
79.05457	1.4
81.07059	3.0
82.58318	1.2
85.02899	6.8
86.09708	1.8
90.66570	1.5
91.05469	2.6
93.07042	2.4
94.06565	3.4
97.02937	1.4
98.97566	3.1
108.08127	15.4
110.06044	5.6
116.98648	1.3
118.06553	4.8
119.04989	1.7
119.07291	5.6
120.08138	9.9
121.06556	1.4
122.06002	3.5
123.06792	1.2
124.07583	8.2
136.07590	100.0
142.08658	10.7
145.04976	1.5
146.06017	6.2
147.04414	5.7
147.06795	4.1
148.07584	4.7
152.07127	2.7
154.08652	3.5
160.07593	2.4
162.05501	2.1
163.03871	2.1
164.07086	38.0
165.05499	4.9
166.08633	2.0
170.99637	1.3
173.10773	5.2
174.07962	1.8
175.35574	1.5
177.05585	1.2
181.08862	2.6
185.04295	1.7
196.11198	2.8
197.10680	1.6
198.11481	3.2
201.10211	5.3
211.08563	2.7
212.09482	2.6
213.10287	7.0
213.13869	4.1
217.04942	1.4
224.10783	2.5
225.10233	4.1
226.11034	8.7
239.33575	1.2
240.08804	1.7
240.12453	1.7
241.09828	6.1
241.13361	20.2
253.10051	1.2
254.10477	2.7
259.14462	29.0
269.12863	38.4
277.15411	3.6
287.09113	1.5
287.13919	40.0
305.14972	98.6
318.84476	1.2
323.07516	2.6
323.12256	2.4
323.15732	1.5
341.66714	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77909	2.1
53.03939	8.4
55.01874	23.0
55.05512	43.8
56.29934	1.9
56.96556	2.9
57.03450	9.8
57.07077	4.7
59.04998	3.0
67.05139	2.3
67.05508	50.1
69.03434	11.3
69.07072	53.6
70.07420	1.9
71.04996	6.9
71.08652	3.2
71.52541	2.7
72.65245	1.8
77.03915	2.4
79.05495	43.1
81.03394	5.2
81.07064	67.1
83.04976	10.8
83.08624	21.9
85.02907	6.5
85.06543	5.7
88.00494	2.5
91.05489	48.1
93.07048	81.7
95.04975	28.0
95.08614	100.0
97.02910	5.0
97.06535	17.4
97.10172	58.1
97.23401	1.9
98.97589	4.0
99.04465	2.6
99.08076	4.7
103.05475	4.4
105.07034	25.6
107.04971	14.0
107.08597	46.4
109.02884	4.1
109.06519	21.7
109.10166	28.9
111.04427	4.0
111.08086	35.5
111.11745	13.0
113.05989	3.5
115.05489	3.1
116.98604	3.1
117.07035	15.3
119.04958	3.2
119.08585	22.9
121.06510	32.7
121.10158	35.3
123.04453	3.2
123.08066	50.3
123.11722	26.9
125.09642	22.3
125.16854	2.0
127.03938	2.7
129.07004	4.6
131.03391	2.6
131.04863	2.3
131.08575	15.2
133.06488	8.6
133.10086	11.7
135.04378	4.0
135.08061	24.6
135.11665	13.6
137.05956	9.2
137.09601	12.0
137.13246	4.6
139.07538	17.7
139.11180	33.0
141.06970	3.0
141.09100	4.2
143.08531	6.1
143.10645	4.6
145.06519	3.7
145.10118	9.0
147.04370	2.1
147.08080	10.3
147.11693	9.0
149.05997	35.2
149.09659	16.6
149.13266	18.8
151.07570	22.5
151.11168	4.7
153.09093	7.0
153.12750	6.5
155.07129	2.4
155.08527	2.9
157.06535	2.3
157.10132	6.7
157.12225	27.5
159.08083	8.9
159.11646	4.3
161.06064	4.1
161.09612	8.7
161.13301	3.4
163.07552	6.5
163.11223	3.6
163.14856	5.7
165.06941	2.1
165.09138	9.0
165.12794	3.8
167.08533	3.0
167.10712	2.7
169.10139	2.4
171.08017	4.5
171.10168	4.2
171.11571	2.8
171.22725	2.3
173.09686	5.0
173.11818	3.1
175.07535	5.0
175.11171	3.0
175.14764	2.2
177.09123	22.8
179.07082	5.6
179.10616	3.8
181.10048	3.6
183.10262	2.5
185.09595	4.8
185.13284	3.1
187.11217	3.3
189.09164	6.6
189.11238	14.7
189.12714	3.4
189.16223	2.2
191.10623	2.4
193.08513	2.5
195.10187	6.5
199.11238	2.9
199.14844	2.6
203.10829	5.1
203.12811	5.8
205.12178	4.3
207.13773	3.0
213.12778	2.5
217.15944	2.2
227.12759	52.8
227.14880	2.6
231.17458	2.9
231.21439	4.1
241.15901	15.6
251.14323	4.2
259.16888	12.6
263.16373	5.6
269.15396	38.6
270.15744	2.3
277.18008	9.6
277.25165	3.4
287.16422	46.5
287.23511	3.0
305.14767	2.5
305.17514	56.5
305.21103	5.0
305.24713	24.8
323.05725	2.8
323.14651	64.9
323.18521	33.9
323.25934	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	323.1855
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
53.03948	4.4
55.01877	11.8
55.05275	2.7
55.05516	34.7
56.94714	1.5
56.96561	1.9
57.03434	3.9
57.07073	3.0
59.05010	1.4
65.03959	1.3
67.05510	29.2
69.03440	8.3
69.07071	19.7
69.89229	7.0
71.04991	6.0
74.78136	1.3
79.05495	35.8
81.03425	6.8
81.06590	2.9
81.07063	49.5
83.04987	5.2
83.08633	17.6
85.02937	2.0
85.06514	2.1
91.05479	18.9
93.07044	35.7
95.04982	10.6
95.08598	25.5
97.06525	5.9
97.10175	29.9
98.21429	1.8
99.08112	3.1
105.07027	12.9
107.04962	70.1
107.08603	25.4
109.02854	2.4
109.06516	18.4
109.10169	15.6
111.04443	2.3
111.08108	9.0
111.11727	1.7
115.05405	1.8
115.60593	1.6
117.06998	7.9
119.04956	1.2
119.08572	11.0
121.06552	8.3
121.10166	11.8
123.04457	2.4
123.08072	15.8
123.11701	7.0
125.09634	26.1
127.07549	1.7
129.07007	3.4
131.08575	6.0
133.06473	6.6
133.10136	7.2
135.08061	100.0
135.11685	3.9
137.05989	15.9
137.09601	6.4
139.07541	24.6
139.11208	7.5
141.09167	1.6
143.08556	2.2
143.86824	1.5
145.06499	1.7
145.10109	3.0
147.08022	4.9
147.11639	4.5
149.05995	27.8
149.09604	8.0
149.13292	4.1
151.07555	17.9
153.09132	16.0
155.31706	1.6
157.06528	1.5
157.10124	3.5
157.12247	4.0
159.08051	1.8
161.05969	5.5
161.09595	2.9
161.13240	2.2
163.07581	1.8
163.14764	1.4
165.09175	1.3
167.10603	2.2
169.08638	1.7
169.10094	1.6
171.10274	2.6
171.11699	3.3
173.09599	2.8
173.11731	4.6
175.07571	7.6
175.14867	1.6
177.09119	6.3
179.07057	5.8
179.10696	2.2
181.08603	3.1
189.09111	4.5
189.11203	7.5
189.12627	2.5
191.10712	1.6
193.08670	2.2
195.10181	3.5
197.13284	1.6
199.11374	1.8
201.65262	1.4
203.10800	1.6
203.12740	2.2
203.17943	1.6
207.13841	1.4
213.16402	1.6
217.12318	7.9
223.14928	2.0
231.13834	2.5
235.13165	2.7
241.15840	5.1
249.18571	2.9
251.14293	2.9
252.06421	1.7
259.16968	25.0
269.15311	8.1
277.17981	8.5
282.06522	3.1
283.06390	2.1
287.16446	38.5
287.19641	3.2
287.23370	2.0
305.17493	55.5
305.24683	5.9
323.05521	2.3
323.18619	11.9
323.25754	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03968	1.5
55.01877	5.6
55.05515	5.8
57.03441	28.5
57.07060	2.1
60.03061	0.7
65.03930	2.1
67.05511	25.2
69.03433	1.0
69.07076	2.7
70.70001	1.5
70.70338	1.2
71.04977	2.4
79.05495	13.3
81.07061	14.4
83.04993	4.0
83.08636	2.0
83.09588	0.7
85.06550	30.0
85.57430	0.7
91.05492	10.2
93.07047	12.4
95.04977	37.8
95.08620	6.3
97.06535	2.6
97.10176	1.6
99.08150	1.0
105.07044	8.2
107.04972	4.9
107.08604	8.0
109.06523	27.9
109.10145	2.2
111.04460	3.3
111.08071	2.4
113.06013	100.0
117.07030	5.1
119.08571	5.4
121.06527	2.5
121.10158	3.8
121.82362	0.9
123.08076	2.7
125.09669	0.9
129.07024	1.8
131.08583	7.5
131.30133	0.8
133.06502	1.1
133.10141	2.8
135.08066	24.6
135.11688	2.8
143.08591	3.3
145.10156	5.9
147.08086	3.2
147.11703	1.0
149.09662	3.7
153.12729	1.5
155.08572	1.2
157.10138	3.0
159.08084	1.3
159.11723	2.0
161.09618	4.0
163.11221	3.2
165.09177	0.9
171.11736	1.9
173.13263	1.1
175.11214	2.0
177.12802	1.8
181.12314	1.8
183.11636	1.0
185.13289	1.1
189.12726	0.8
191.10623	1.9
195.13870	1.2
199.11296	0.8
199.14883	1.6
201.12839	1.4
209.11736	1.4
217.15941	7.2
227.12810	1.5
227.18037	1.2
245.19063	1.4
251.16492	0.9
255.17448	2.7
271.27924	0.7
273.18506	16.5
291.19559	42.2
305.21207	4.8
323.22391	1.2
325.85284	0.7
329.55072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81787	0.6
51.93845	0.6
53.03949	1.3
55.01862	4.0
55.05513	22.5
57.03423	3.1
58.75003	0.6
59.04994	1.1
61.99889	0.6
63.10545	0.6
63.52493	0.6
67.05190	1.0
67.05509	15.1
69.03429	3.3
69.07071	16.0
69.77631	2.9
71.04991	1.8
73.43443	0.6
79.05074	1.0
79.05496	14.6
81.03403	2.9
81.07059	16.0
83.04970	3.1
83.08614	12.2
85.06526	1.0
91.05483	10.5
93.07042	12.2
95.04969	7.9
95.08615	9.0
97.02879	2.7
97.06512	1.6
97.09559	1.0
97.10172	19.4
105.07038	10.1
107.04943	5.1
107.08592	11.8
109.02868	1.0
109.06511	2.2
109.10171	3.9
111.08060	1.9
113.06012	0.7
115.05422	0.8
117.06993	4.1
119.04952	1.1
119.08578	8.4
121.06500	2.6
121.10184	4.4
123.08076	6.5
123.11755	0.8
125.08772	1.2
125.09639	19.0
127.07584	0.9
129.07004	1.9
131.08572	5.5
133.06506	2.5
133.10124	3.5
134.07278	0.9
135.08070	5.7
135.11682	2.0
137.09610	2.0
139.11176	1.1
143.08533	2.5
145.10127	5.7
147.08035	5.2
147.11696	2.5
149.09618	2.0
149.13269	0.9
151.11166	0.9
153.09106	3.3
157.10135	1.9
157.12263	1.5
159.08063	1.0
159.11685	1.6
161.09584	1.9
162.10356	0.9
163.11166	1.4
165.09120	2.5
167.10728	0.7
169.12259	0.9
171.10233	0.8
171.11702	0.9
175.11195	3.2
177.12720	0.8
182.26434	0.6
185.13239	0.7
187.13217	0.8
193.12306	2.6
195.11688	0.9
195.13766	0.7
199.11023	0.9
203.12781	10.3
205.12202	0.9
221.11731	0.7
223.13281	10.7
225.14886	0.9
237.14781	2.2
245.19063	1.9
249.14931	1.4
255.17371	1.9
263.20099	2.1
273.18475	11.3
291.19540	100.0
305.21121	18.8
305.24646	1.1
323.22308	5.1
323.25629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17618	1.6
53.03945	5.1
55.01878	12.6
55.05514	39.5
57.03441	9.5
57.07059	3.2
65.03938	2.5
67.05508	71.1
67.62385	1.6
69.03424	8.2
69.07070	21.7
71.04991	3.0
71.53613	2.6
73.06559	2.7
74.85956	1.5
79.05498	50.2
79.05968	2.6
81.03414	6.9
81.07059	100.0
83.01314	3.8
83.04489	3.0
83.04987	54.1
83.08628	15.5
83.31676	1.3
85.06530	8.8
85.34552	1.5
91.05481	55.6
93.07047	62.4
95.04971	13.8
95.08609	39.2
97.02870	2.2
97.06540	10.5
97.10165	6.8
99.08089	4.3
103.05505	2.2
105.04574	1.8
105.07034	56.9
106.47332	1.8
107.04934	15.8
107.08598	50.8
109.06525	16.8
109.10162	55.7
111.04440	9.8
111.08090	9.0
113.38564	1.5
116.06245	1.9
117.06989	9.7
119.08604	21.2
121.06514	14.7
121.10148	18.5
123.04438	3.8
123.08069	14.1
123.11729	17.4
125.06036	5.0
125.09630	4.4
127.07499	4.0
129.07013	7.3
131.04961	2.6
131.08575	19.9
133.06512	13.3
133.10138	92.9
135.08058	11.4
135.11659	10.4
137.05959	3.0
137.09618	5.9
139.07547	8.8
143.08546	7.0
145.10136	13.2
147.08064	10.0
147.11679	7.8
149.09639	19.4
149.13258	2.9
151.11189	80.8
153.09164	3.5
155.08519	2.2
157.10127	6.3
159.08070	5.7
159.11708	8.6
161.09605	13.7
161.13257	4.5
163.11220	6.3
165.09087	5.7
165.12773	1.6
167.10736	2.5
169.10199	2.8
171.11676	10.0
173.09602	3.5
173.13295	2.7
175.11205	10.6
177.09128	16.1
177.12744	4.6
179.10670	13.0
181.12289	1.7
183.11459	2.0
183.13832	29.0
185.13336	2.4
187.11139	2.2
189.12737	4.7
193.12230	8.5
200.18806	1.6
203.14384	2.0
207.13654	3.2
211.13284	2.9
213.12756	1.8
217.12354	2.2
219.14014	1.8
223.13307	2.1
227.17888	4.0
229.14305	5.6
235.13225	2.3
237.16461	3.8
245.18985	16.5
255.17447	8.7
263.20059	17.5
273.18500	44.6
287.20148	2.6
291.19559	62.9
305.21124	27.0
305.24548	2.7
323.22180	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00368	0.4
53.03939	1.3
55.01876	3.6
55.05516	18.1
57.03444	2.6
57.58298	0.4
57.64281	0.4
57.80485	0.5
59.04999	0.7
64.74203	0.5
65.03937	0.5
67.05511	11.2
69.03432	3.7
69.07076	13.5
69.10040	0.4
70.33286	0.4
70.96808	1.0
71.04996	1.1
71.36854	0.5
71.93789	0.5
79.05498	11.6
81.03408	2.3
81.07060	11.0
83.04993	2.1
83.08625	8.8
85.02911	0.6
85.06503	0.5
91.05488	8.2
93.07051	9.7
95.04978	3.4
95.08626	6.0
95.89605	0.4
97.02907	2.6
97.06519	1.3
97.10177	14.4
99.98180	0.6
103.05508	0.5
105.03442	0.4
105.07043	7.9
107.04985	2.9
107.08602	9.1
109.02910	0.8
109.06526	1.8
109.10170	2.8
111.04443	0.6
111.08095	1.5
117.07056	3.8
118.16132	0.5
119.04895	0.6
119.08591	6.0
121.06501	1.9
121.10158	3.1
123.08060	2.4
123.11674	0.7
125.09642	13.5
127.07552	0.8
128.06258	0.7
129.07022	1.9
131.08577	4.5
133.06483	2.3
133.10127	2.7
135.08073	4.3
135.11670	0.9
137.09599	1.7
143.08553	1.7
145.06480	0.6
145.10135	3.8
147.08046	3.5
147.11690	1.4
149.09654	0.9
149.13312	0.7
151.11214	0.8
151.61847	0.4
153.09145	2.2
155.08545	0.5
157.10101	1.3
157.12296	0.7
159.08002	0.5
159.11696	0.9
161.09665	2.2
162.10457	0.6
163.11153	1.3
165.09138	1.5
171.10280	0.7
171.11613	0.8
175.11172	1.6
185.13290	0.6
189.11249	1.1
189.12772	0.7
193.12285	0.6
203.12784	6.7
203.14517	0.6
205.12242	1.2
217.15884	0.6
221.11732	1.0
223.13295	11.9
227.18262	0.5
237.14900	2.0
245.19041	1.5
249.14946	1.0
253.44125	0.5
255.17601	1.2
263.20020	1.1
273.18463	8.0
291.19562	100.0
292.20020	1.4
305.21146	19.3
305.24637	1.1
323.22421	2.5
323.25473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.9
55.01875	14.8
55.05514	42.4
57.03440	8.2
57.07070	3.7
59.04996	1.1
65.03931	4.5
67.05509	84.8
69.03434	9.4
69.07073	30.6
69.56513	8.4
71.04977	4.6
73.06536	2.3
77.03941	1.5
79.05499	57.1
79.58186	1.1
81.03445	5.7
81.07061	95.1
83.01343	5.4
83.04987	37.1
83.08628	14.2
84.76402	1.4
85.02908	1.4
85.06558	7.3
91.04896	2.3
91.05486	69.4
93.07048	74.9
95.04977	16.8
95.08613	45.1
97.02898	3.0
97.06523	12.3
97.10174	7.6
99.08097	3.7
105.04528	2.0
105.07038	60.6
107.04972	16.1
107.08601	56.5
109.06529	15.6
109.10159	56.0
111.04442	8.3
111.08087	16.5
115.05441	2.0
115.07568	1.8
117.07025	13.1
119.05002	1.6
119.06047	1.6
119.07721	1.5
119.08584	28.3
121.06516	21.7
121.10150	21.1
123.04424	5.7
123.08081	10.8
123.11720	17.1
125.06007	5.0
125.09604	2.6
127.07587	1.4
128.06229	4.3
129.06998	7.5
130.07722	2.8
131.04857	1.2
131.08586	24.3
133.06511	18.1
133.10139	90.8
135.08067	11.5
135.11676	12.7
137.05974	3.7
137.09641	7.4
139.07552	13.0
139.11211	2.8
141.09113	2.3
142.07747	1.7
143.08580	12.6
145.06490	2.8
145.10139	17.0
147.08061	15.2
147.11720	12.6
149.09621	17.2
149.13255	1.8
151.07657	2.5
151.11189	84.7
153.09131	2.8
153.12755	1.7
155.08554	2.1
156.09363	1.6
157.10118	7.7
159.08133	5.0
159.10493	1.2
159.11713	7.0
161.09636	20.5
161.13252	6.9
163.07617	1.6
163.11133	7.2
165.09128	6.5
165.12744	3.3
167.10721	3.1
169.10141	2.6
171.11703	11.0
173.09627	3.2
173.13347	2.8
175.11221	9.0
177.09093	10.8
177.12732	4.2
179.10687	13.7
179.14320	3.7
181.08595	3.0
181.10106	1.8
181.12154	3.0
183.13821	34.2
185.09645	1.9
185.13307	3.5
187.11145	3.8
189.12709	7.6
191.10616	2.0
191.14320	1.8
193.12260	2.1
195.13849	1.5
199.11205	4.1
199.14851	1.6
201.12689	1.9
203.14304	2.5
207.13834	5.6
211.13312	3.8
213.12856	1.5
217.12260	4.0
217.15834	1.6
217.19533	1.4
219.14021	1.8
223.13266	2.2
227.18056	5.9
229.14323	5.2
231.17490	1.7
235.13225	2.9
235.16994	1.7
237.16586	2.6
245.19035	21.7
249.15050	2.0
255.17456	6.5
263.20078	23.4
273.18506	54.4
274.19064	1.8
277.21628	3.9
291.19565	100.0
305.21112	18.5
323.22186	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	323.2218
Annotation	Monacolin L acid
Peak:m/z	Relative Intensity
52.88014	8.5
55.01866	16.3
55.05512	37.6
57.03437	17.0
57.07069	12.2
61.03583	8.5
67.05511	47.7
69.07078	51.2
71.05000	10.7
71.16375	19.6
71.55548	8.2
79.05501	40.3
81.03404	7.9
81.07061	100.0
83.04983	9.4
83.08615	36.2
91.05491	41.4
93.07036	70.2
95.04971	13.6
95.08614	96.1
97.06535	15.1
97.10170	12.4
98.86076	9.1
98.97577	12.0
99.08130	9.3
105.07043	47.5
107.08617	54.7
109.06526	21.8
109.10152	56.5
117.07022	18.3
119.08582	47.7
121.06550	10.5
121.10138	45.7
123.08056	20.1
123.11698	29.7
123.59138	7.7
125.05934	9.5
127.07505	11.7
129.07037	13.7
131.08560	26.6
133.10178	44.3
135.08075	17.0
135.11732	50.4
137.09625	14.7
137.13239	17.7
143.08557	27.5
145.10123	32.9
147.11688	34.4
149.13223	37.9
151.11179	10.5
157.10100	21.3
159.11717	34.3
161.13269	34.7
163.14847	20.9
171.11696	27.0
173.13263	15.3
175.07652	11.3
175.14906	19.0
179.10651	16.3
185.13277	28.8
187.11107	11.8
189.16373	12.5
191.10670	14.2
199.11354	10.7
203.10728	9.5
203.14413	9.7
205.12225	15.3
217.12253	17.4
225.16422	10.6
229.19511	12.9
231.13792	18.6
231.21075	59.2
241.19496	34.3
259.20441	45.2
269.19141	14.7
273.18622	11.1
275.20123	45.5
275.23657	7.1
277.21475	16.1
287.16833	12.6
287.20068	93.6
291.19568	11.4
305.17969	12.1
305.21002	40.4
305.24365	9.4
323.22125	18.8
338.53836	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	323.2579
Annotation	9,10-Seco-8,10(20),13-labdatriene-3,11,15-triol
Peak:m/z	Relative Intensity
53.03945	5.0
54.33722	2.8
55.01876	3.5
55.05510	27.9
55.86407	2.4
57.03429	8.8
57.07074	6.0
59.04994	5.2
67.05506	40.7
69.03418	3.1
69.07060	30.7
69.70253	16.6
71.04994	16.7
73.06561	2.9
79.05492	28.7
81.07056	92.8
83.04967	7.6
83.08613	16.9
85.06532	6.2
87.33023	2.5
90.87849	2.6
91.05468	22.2
93.07042	60.2
95.04983	8.0
95.08608	100.0
97.06537	13.0
97.10166	14.9
99.08071	5.5
101.06033	3.4
105.07026	38.1
107.04956	3.9
107.08588	58.1
109.06535	9.9
109.10155	77.5
111.04429	29.7
111.08057	6.6
111.11713	8.0
111.53989	3.0
115.07561	19.1
117.07047	4.6
119.08586	29.1
121.10146	64.9
123.08094	5.9
123.11705	28.7
125.09654	14.3
129.06989	4.1
129.09148	4.8
131.08594	13.4
133.10126	24.0
135.08087	3.2
135.11688	55.0
137.09634	23.8
137.13255	7.5
139.11171	6.1
143.08592	3.4
143.10646	16.8
145.10132	16.7
147.11678	27.5
149.13269	49.3
151.11211	5.2
153.12788	6.1
155.84421	2.7
157.10173	3.7
159.11668	14.3
159.13826	3.0
161.09639	3.0
161.13245	22.5
163.14793	26.3
165.12773	5.0
167.10750	3.9
169.10141	4.3
171.11772	3.5
173.13271	9.2
175.14832	14.5
177.12775	3.8
177.16382	14.4
179.14371	8.3
185.13232	5.8
187.14853	12.6
189.11206	3.9
189.16400	6.6
191.14359	3.9
191.17911	4.8
193.15794	3.7
199.14854	4.9
201.16431	7.1
203.17969	6.3
205.16061	3.3
207.17506	7.9
213.16422	9.3
214.87906	3.3
217.19521	14.5
229.19467	7.6
257.22635	16.7
269.22574	14.0
273.18491	7.1
275.23648	25.8
287.16498	4.2
287.23663	26.8
291.19592	12.0
293.24731	59.9
305.17407	3.8
305.24698	48.5
323.09332	3.3
323.22433	6.4
323.25787	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03945	5.5
55.01869	5.5
55.05519	37.9
56.96553	9.0
57.03428	4.8
57.07071	11.9
59.04985	2.9
59.62655	2.3
67.05508	37.9
69.03419	9.8
69.06731	3.7
69.07075	50.5
71.04990	4.7
71.08611	2.6
79.05508	24.1
81.03400	6.8
81.07062	100.0
82.60394	2.5
83.04973	9.7
83.08623	18.7
85.02906	6.5
85.06510	3.2
91.05481	19.7
93.06496	3.2
93.07055	57.9
95.04980	7.1
95.08611	87.4
97.02886	5.3
97.06548	13.4
97.10173	24.9
98.20728	5.3
98.97583	20.1
99.08064	4.1
105.07036	24.6
107.04934	2.7
107.08606	55.6
109.02865	11.0
109.06510	9.2
109.10165	53.0
111.08086	15.2
111.11717	8.3
116.98654	3.4
117.06980	2.7
119.08580	26.8
121.09346	3.5
121.10154	37.4
123.08078	7.6
123.11708	39.3
125.09611	12.9
127.03904	9.3
128.23868	2.4
128.24930	2.4
129.96976	2.2
131.00136	2.5
131.08574	4.3
133.10139	34.3
135.08041	2.5
135.11705	30.7
137.09615	6.8
137.13248	8.5
139.11186	10.8
140.98512	2.3
143.08606	2.7
145.10144	3.6
145.98596	2.3
147.11696	17.3
149.13269	44.5
151.11165	9.2
153.12759	2.6
157.10152	3.2
157.12245	7.1
158.99652	7.6
159.11694	8.4
161.13301	13.2
163.14835	13.8
165.12738	6.9
165.16370	7.0
173.01230	4.9
173.13274	4.6
175.14828	7.5
177.00752	4.3
177.09117	2.8
177.12706	2.7
177.16399	9.5
187.14798	5.2
189.16444	11.4
191.14355	2.7
191.17830	2.8
193.15829	4.3
219.01801	4.2
221.19141	3.5
223.16893	2.8
228.98456	3.3
244.99643	2.7
249.18588	2.8
259.24268	15.5
264.07114	2.2
269.22641	6.6
275.23410	3.1
277.25250	27.9
287.16501	6.0
287.23697	8.2
293.24896	4.9
295.06009	11.3
305.17453	5.8
305.24768	53.0
312.88239	2.3
314.13870	5.9
323.05582	20.4
323.19244	2.7
323.25781	33.8
349.20630	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	323.2581
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03945	3.8
55.01868	2.9
55.05270	2.5
55.05515	37.7
57.03446	3.4
57.07080	10.9
59.14141	1.8
63.74273	1.5
65.03941	1.8
67.05180	2.8
67.05509	35.5
69.03405	2.5
69.07072	47.2
71.04983	4.0
71.08638	3.0
79.05492	23.3
81.07063	97.2
83.04971	10.6
83.08624	17.8
85.06537	5.3
85.10176	1.8
85.59795	1.5
90.81448	1.4
91.05470	11.2
93.06483	3.0
93.07050	53.7
93.07642	2.8
93.62398	1.4
95.04973	4.8
95.08614	100.0
97.06555	15.9
97.10178	23.1
99.08084	2.9
105.07037	26.0
107.08592	54.7
109.06523	7.8
109.10164	58.4
111.08096	15.7
111.11733	7.6
115.11213	1.9
119.08589	29.8
121.09323	3.2
121.10152	42.6
123.08080	6.0
123.11716	34.5
125.09647	15.4
125.13318	2.1
131.08542	4.5
133.10146	27.1
135.11699	28.0
137.09633	6.9
137.13260	7.4
139.11189	10.1
145.10133	6.8
147.11702	21.3
149.13261	53.0
151.11159	10.0
151.14827	2.5
153.12753	4.0
155.10718	1.7
159.11746	9.9
161.13257	17.0
163.11209	2.7
163.14842	15.8
165.12762	6.4
165.16441	4.2
167.14304	3.8
173.13318	4.9
175.14874	9.9
177.16414	10.5
179.14313	3.4
187.14877	3.0
189.16418	12.8
191.14293	2.8
191.18002	2.0
193.15936	4.4
195.13799	1.9
195.17430	2.7
203.17999	4.8
207.17365	3.3
213.16530	2.4
213.18466	1.7
217.19432	2.4
231.17348	2.1
249.18674	2.1
259.24203	10.0
263.23703	2.4
269.22696	6.8
275.23746	8.1
277.25281	25.4
287.16467	1.8
287.23755	10.0
293.24719	8.9
305.17413	3.1
305.21295	3.4
305.24756	44.9
323.22104	3.9
323.25769	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	8-HETrE
Peak:m/z	Relative Intensity
53.03944	2.3
55.01878	1.8
55.05513	31.2
57.03421	2.4
57.07087	10.9
67.05509	38.4
69.03426	3.0
69.07071	48.5
69.19001	15.8
71.05006	3.1
71.08643	2.3
79.05495	20.0
81.07064	97.0
83.04992	7.8
83.08628	14.7
85.06560	4.6
86.50479	1.4
88.73441	1.6
90.70474	1.6
91.05489	12.3
93.07052	40.1
95.04991	3.8
95.08615	100.0
97.06540	12.1
97.10183	28.4
99.08088	3.2
105.07043	14.9
107.08607	43.0
109.06528	7.8
109.10173	35.1
111.08091	11.3
111.11722	10.1
115.11233	1.9
117.07016	1.8
119.08582	13.6
121.10157	25.6
123.08089	3.4
123.11723	88.3
125.09637	6.2
131.08574	2.1
133.10149	19.1
135.08102	3.2
135.11691	20.7
137.09625	5.9
137.13274	5.0
139.11206	20.3
145.10188	3.7
147.11711	11.4
149.13268	37.2
151.11160	4.7
151.14859	1.8
153.12758	11.5
155.14349	1.4
157.12257	16.4
159.11687	4.0
161.13271	6.6
163.14798	14.0
165.12767	4.4
171.13846	6.8
173.13281	2.6
175.14827	5.3
177.16370	3.3
187.14746	1.9
189.16389	6.3
191.14336	1.8
203.12801	2.5
203.17947	3.6
209.15410	1.6
217.68796	1.5
221.19087	2.6
224.22311	1.7
235.16975	1.6
249.18510	2.9
259.24176	13.1
269.22653	3.5
277.25281	19.2
287.23712	7.2
305.24768	56.0
323.25882	18.6
326.67471	1.8
346.80991	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	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03935	2.5
55.01863	3.6
55.05512	50.7
56.96570	1.2
57.03444	5.8
57.07077	9.0
59.04991	3.7
65.03936	1.5
67.05507	34.4
69.03429	7.3
69.07072	89.0
69.65907	4.5
71.04990	4.0
71.08634	1.8
73.06567	4.7
73.54484	0.8
79.05495	14.9
81.03415	1.1
81.07059	83.5
83.04980	9.6
83.08620	17.1
85.02872	0.8
85.06551	10.8
91.05487	10.3
93.07049	48.7
95.04964	5.2
95.08612	100.0
97.06542	16.8
97.10175	89.4
97.16326	0.9
98.97563	1.4
99.04436	1.4
99.08096	4.4
101.06008	1.5
105.07036	13.0
107.04946	1.7
107.08599	44.8
109.02872	0.7
109.06521	7.1
109.10160	35.6
111.08085	16.6
111.11732	22.3
113.06002	1.8
113.09634	1.4
115.11201	2.9
117.07064	1.7
119.08584	11.1
119.52383	0.9
121.06488	1.6
121.10149	35.7
123.04486	0.9
123.08073	6.0
123.11712	52.7
125.09646	7.9
125.13280	1.2
129.07002	1.4
131.08531	1.7
133.10132	9.3
135.08049	2.1
135.11700	21.2
137.09616	3.6
137.13249	7.9
139.11186	57.5
141.09151	0.9
143.08539	1.0
143.10680	10.8
145.10121	2.4
147.08128	0.9
147.11694	8.2
149.05977	1.4
149.09619	1.7
149.13271	39.7
151.07582	1.2
151.11166	6.2
153.09189	1.1
153.12776	12.8
157.10187	2.0
157.12248	55.2
159.11700	3.5
161.13298	5.2
163.14844	9.2
165.12791	2.8
167.10721	1.9
167.14357	3.3
169.12314	1.8
171.10258	1.3
171.11708	1.1
171.13803	4.3
173.13252	1.9
175.07550	1.3
175.14868	3.9
176.49162	0.8
177.16344	2.1
179.14340	2.3
183.13850	1.4
187.13321	1.2
187.14912	1.8
189.11253	2.2
189.16426	2.4
193.15863	1.3
195.13788	1.8
195.17480	1.6
199.11676	1.4
199.14815	1.9
201.16428	1.2
203.12785	13.6
203.17999	2.1
207.17464	1.8
208.12372	1.0
213.16423	1.5
214.24484	0.9
215.18015	1.5
221.15459	1.1
227.12779	1.7
227.17955	1.1
231.13914	1.3
231.17424	1.4
234.43370	0.9
235.16870	1.3
244.22261	1.0
249.18498	1.4
249.22282	1.2
259.17007	1.3
259.24207	2.2
263.23630	1.4
269.22705	4.1
277.17764	1.0
277.25293	10.1
279.23193	2.2
287.16550	4.2
287.23697	7.3
295.06033	1.1
305.17358	6.1
305.24750	50.9
323.18533	2.5
323.25842	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	324.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.7
57.01751	1.6
58.85472	1.6
67.05508	3.8
69.07070	2.5
69.20940	7.9
69.21369	7.8
78.48324	1.4
79.05492	3.8
79.48686	1.4
81.07057	4.3
82.07410	1.7
83.08611	6.8
88.46172	1.5
91.05470	8.9
93.07038	3.9
95.08569	4.0
97.10168	8.9
100.11157	1.5
105.07072	2.6
107.08567	4.0
108.75858	1.5
112.81975	1.6
117.06996	2.8
119.08591	100.0
121.10160	3.9
125.09602	4.6
133.06500	2.4
135.08038	7.2
143.08557	1.8
145.10135	3.4
147.08035	4.7
157.10065	2.0
159.08073	37.0
161.09637	3.0
169.10014	2.0
173.09639	4.1
175.12335	4.0
189.11224	11.6
243.72818	1.6
253.15993	4.0
271.16959	27.3
280.18063	4.3
289.18008	13.4
324.24374	20.3
325.21606	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	325.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
54.46574	1.1
55.01876	11.3
55.05517	1.3
57.03440	10.7
57.07075	1.3
60.02534	1.1
61.02932	6.5
64.95738	1.1
65.22900	0.9
67.05474	1.5
69.03437	37.4
69.07059	1.2
70.06586	4.7
71.04991	1.8
71.50690	1.4
73.02922	6.8
73.84915	0.9
79.05510	1.2
81.03421	5.6
81.07069	1.0
83.01324	1.3
83.05008	1.5
85.02913	100.0
86.03237	1.1
87.04476	1.7
90.94854	0.9
91.03961	1.9
97.02898	28.0
99.04478	8.1
101.02381	6.2
105.03374	1.1
108.90588	1.0
109.02892	6.5
111.04531	1.2
112.07544	1.2
115.03920	3.2
119.01950	2.6
121.01689	1.9
123.04442	1.0
127.03928	61.4
132.95840	2.5
136.06194	1.8
143.01927	3.6
145.01634	7.2
145.03720	2.0
145.04970	41.6
145.07581	11.6
150.19531	1.2
154.09450	1.0
155.01898	1.7
157.01677	3.4
157.63774	0.9
161.02977	2.4
162.03209	1.3
163.02684	7.6
163.06029	4.2
163.08702	7.8
173.02972	1.6
174.96889	2.4
175.02779	4.3
186.96953	2.2
187.45171	0.9
195.98836	1.0
203.04044	2.8
205.03728	6.2
227.07172	1.3
232.77194	1.2
234.58694	1.6
234.99084	2.7
252.99834	1.1
254.37680	1.0
265.05991	3.3
307.04626	1.3
308.11130	1.4
325.10770	1.4
325.14105	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95737	0.3
53.03948	1.9
55.01870	2.2
57.03450	2.5
59.04987	0.3
61.02921	0.8
69.03432	16.4
70.06576	0.4
71.01337	1.0
71.04607	0.3
71.04996	5.5
71.32030	0.7
73.02907	0.9
81.03421	17.3
81.89208	0.3
85.02898	1.4
87.04465	0.7
91.05466	1.0
93.07043	0.3
97.02881	0.5
99.04461	7.2
116.04964	0.4
117.05496	1.5
118.06561	4.4
118.08779	0.3
127.03909	0.8
145.07620	5.8
147.05525	0.4
147.09190	7.7
162.07860	1.1
163.03876	0.5
163.07507	1.0
163.08681	0.9
173.07114	12.9
175.08672	6.7
175.10992	0.4
189.10315	0.3
190.07373	0.3
191.08159	100.0
192.08511	0.7
203.08200	0.7
205.09796	0.8
215.11856	0.5
231.11287	0.6
233.09248	1.2
237.07713	0.3
241.78690	0.3
271.10904	0.5
289.11871	1.7
307.12881	35.6
325.13937	32.0
327.12360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06747	0.3
55.01869	0.3
55.05499	1.0
57.03416	0.4
62.50614	0.2
67.05515	1.4
67.40672	0.2
69.03419	1.1
69.07056	0.6
69.30035	2.3
71.04985	0.3
79.05482	1.1
81.03403	0.8
81.07066	1.5
81.14141	0.3
83.04972	0.4
83.08618	0.7
85.02903	1.4
85.06529	0.4
91.05468	1.0
93.07030	1.2
95.04962	0.7
95.08624	1.5
97.02888	0.6
97.06573	0.4
97.10152	0.5
99.04474	0.6
105.07027	0.7
107.04926	0.5
107.08589	1.0
109.02852	0.3
109.06515	0.3
109.10157	1.2
111.08107	0.5
119.08562	1.0
121.06503	0.4
121.10133	1.0
123.08102	0.6
125.09625	0.5
127.03902	1.0
129.50758	0.3
131.08557	0.6
133.10156	0.4
135.08089	0.6
135.11673	0.8
141.09106	0.4
143.08551	0.4
145.04938	0.5
145.10072	0.5
153.09204	0.3
163.03923	2.8
163.07515	0.4
163.11258	0.4
169.08611	0.4
189.11259	0.4
261.18616	0.3
269.12421	0.5
289.18042	0.4
307.15161	1.5
307.18610	0.6
324.61688	0.5
325.16220	100.0
326.16501	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03946	5.9
55.01872	14.5
55.05270	2.6
55.05516	32.3
56.96571	2.4
57.03438	19.9
57.07076	2.4
59.05010	4.3
60.61347	1.5
61.76406	1.6
64.20546	1.6
67.05510	42.4
69.03413	10.1
69.06734	1.9
69.07075	27.3
71.04997	9.0
71.52276	2.5
71.52670	2.0
73.02893	2.2
79.05499	28.9
79.24632	1.5
81.03422	34.2
81.07059	46.3
83.04987	15.8
83.08628	15.2
85.02905	7.8
85.06541	6.4
87.95966	1.6
91.05481	23.1
93.07040	31.0
95.04974	31.6
95.08611	44.2
97.02888	3.3
97.06532	15.6
97.10175	28.5
99.04458	3.2
99.08115	3.3
105.03457	2.0
105.07036	18.5
107.04963	19.9
107.08599	26.1
109.02880	3.4
109.06521	100.0
109.10160	22.2
111.04435	5.0
111.08100	8.1
111.11679	1.7
113.06013	14.0
115.07565	5.5
117.07021	8.4
119.08585	15.8
121.06509	33.4
121.10138	10.7
123.04446	1.9
123.08071	38.8
123.11719	4.5
125.05996	4.1
125.09622	21.5
127.03924	2.1
129.07019	6.1
131.04988	2.1
131.08577	13.7
133.06467	3.9
133.10136	7.5
135.08072	15.2
135.11708	7.9
137.06012	2.1
137.09630	17.3
139.07544	5.5
139.11186	10.8
141.09108	27.0
143.08601	5.2
145.05081	2.1
145.06427	1.8
145.10095	10.0
147.08063	6.2
147.11691	6.4
149.09622	5.1
149.13274	1.9
151.07570	5.1
151.11272	2.8
153.09120	7.3
153.12747	2.7
154.17032	2.0
155.08569	2.7
155.10648	2.6
157.10115	4.4
157.12257	8.1
159.08052	19.2
159.11693	4.9
161.09674	5.1
161.13234	3.2
163.03923	4.5
163.07587	4.4
163.11198	5.9
165.09161	9.4
165.12804	2.2
169.08582	4.5
169.10075	2.9
171.10262	2.9
171.11719	4.5
173.09633	4.9
173.11829	3.2
173.13217	4.0
175.11203	3.4
177.09216	2.9
179.10822	2.2
181.08604	2.5
181.12311	4.7
183.11742	2.8
185.09602	2.2
187.11140	1.9
187.14790	2.6
189.11224	13.4
189.12749	2.7
191.10645	5.4
193.12265	3.6
195.10181	1.7
197.13338	3.1
199.11214	3.5
205.12215	3.9
205.15814	1.9
208.01437	1.8
211.13254	2.7
214.02701	2.0
215.14352	3.5
217.12279	3.9
219.13879	6.1
221.15450	3.0
223.13283	6.3
225.16437	3.5
233.15323	10.9
235.13277	6.1
237.14859	4.3
243.17490	4.7
249.14990	3.2
251.16475	2.8
253.15884	6.2
261.18500	10.4
263.16452	3.7
271.16913	20.8
281.11746	1.9
289.17996	63.3
289.21310	4.0
307.15448	3.8
307.19049	56.4
307.22446	4.1
325.19983	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03946	21.5
55.01880	14.2
55.05272	3.8
55.05514	45.1
57.03426	11.4
67.05508	69.4
69.03423	10.2
69.07076	18.7
70.17303	4.7
70.17670	9.0
71.04998	43.1
73.02900	2.7
77.34985	2.5
79.05499	61.1
81.03426	49.1
81.07057	100.0
83.04978	47.0
83.08616	14.9
85.02900	5.0
85.06551	3.7
87.04461	2.4
91.04979	4.1
91.05488	52.7
93.07050	58.5
95.04982	32.8
95.08613	46.7
97.02887	3.4
97.06521	17.1
97.10150	7.8
101.06017	7.4
105.07042	42.6
107.04962	24.7
107.08612	28.1
108.65546	2.7
109.06512	35.4
109.10167	17.9
111.08070	11.9
113.06001	3.4
117.07033	19.0
119.08587	32.6
121.06534	17.0
121.10140	18.3
123.04440	8.3
123.08074	20.3
123.11720	2.9
125.05962	4.4
125.09622	10.6
128.06233	6.9
129.07036	12.9
131.08568	27.5
133.06485	9.4
133.10115	22.1
135.08035	15.3
135.11711	18.0
137.09607	7.6
139.07512	3.8
141.06998	6.6
141.09174	4.3
142.07768	5.6
143.08554	11.2
145.06543	12.5
145.10104	17.1
147.08046	14.5
147.11691	11.4
149.05981	4.7
149.09546	4.1
149.13289	4.4
151.07545	5.3
153.09074	4.0
155.08578	7.2
157.10127	11.9
159.08051	14.4
159.11696	14.1
161.09676	14.7
161.13258	7.5
163.07454	4.3
163.11127	7.3
165.07092	3.3
169.10158	10.1
171.08046	3.4
171.11714	14.7
173.09622	9.6
173.13257	7.1
177.09068	2.9
177.12732	8.0
181.10121	3.5
183.10150	5.5
183.11662	6.2
185.09660	3.7
185.13284	5.0
187.11224	11.0
189.11224	3.8
189.12727	6.4
191.14302	7.7
194.10733	3.3
195.11705	7.3
197.13342	3.6
199.11095	3.6
199.14880	4.8
201.12758	4.7
205.12216	5.4
207.11931	3.4
207.13805	14.8
219.13791	7.8
221.15472	2.7
225.16458	5.3
227.14406	3.7
229.45927	3.3
231.13826	5.1
233.11679	3.8
233.15350	7.2
237.14856	11.7
243.17406	5.4
249.14812	5.6
251.14201	5.4
253.15945	3.5
261.18533	22.5
269.69797	2.7
271.16946	26.2
289.17975	90.3
297.22052	3.0
307.18973	18.6
325.14825	12.6
325.20026	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	325.201
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03952	15.0
55.01870	15.4
55.05512	28.7
57.03440	27.3
57.07062	3.0
65.03970	2.6
67.05508	68.2
69.03423	10.0
69.07077	30.1
69.72031	12.7
71.04990	6.9
71.16928	2.1
79.05498	56.6
81.03419	46.2
81.07059	81.7
81.07536	5.3
83.04983	44.2
83.08636	15.8
85.06531	7.3
90.17357	2.6
91.05489	43.0
93.07047	53.5
95.04967	27.5
95.08057	4.5
95.08614	46.7
97.06533	65.2
97.10162	13.0
97.26241	2.6
99.04463	4.8
99.08141	4.9
101.71371	2.2
102.93764	2.6
105.07037	39.0
107.04961	36.3
107.08598	39.0
109.06537	15.3
109.10158	30.6
111.04453	24.8
111.08062	13.2
113.06006	6.8
115.07568	2.8
117.06999	18.5
118.21515	2.4
119.08585	29.6
121.06521	19.8
121.10148	14.6
123.04414	5.4
123.08088	26.1
123.11761	4.2
125.05988	9.4
125.09616	14.8
129.07008	8.0
131.08571	22.7
133.06502	7.9
133.10138	34.5
135.08095	14.4
135.11699	20.5
137.05933	3.8
137.09631	10.6
139.11166	2.3
141.07005	4.3
145.06485	15.6
145.10100	17.0
147.08099	6.1
147.11690	10.8
149.05939	5.0
149.09628	10.3
149.13260	6.5
151.11198	13.9
153.09018	3.0
155.08543	4.7
157.10083	5.6
159.08078	17.2
159.11714	25.1
161.09616	6.2
161.13211	5.7
163.11223	11.0
167.14259	2.5
169.10129	8.2
171.10139	2.7
171.11694	6.9
173.09636	6.6
173.13281	6.2
175.11194	4.6
177.09090	3.2
177.12721	18.7
179.10759	2.5
183.11688	3.9
187.11232	18.3
187.14813	5.3
189.12796	3.9
191.10638	3.0
193.12224	4.7
195.13826	8.8
197.13278	2.7
205.12286	10.5
205.15939	4.6
221.11581	2.9
223.13281	25.7
233.15488	20.2
233.18985	2.9
237.14891	2.5
241.14302	30.6
243.17447	4.9
245.37352	2.5
247.13196	4.3
247.20776	3.4
251.16463	3.3
253.15891	6.6
257.18994	5.0
261.18576	20.1
271.16992	23.5
275.20114	24.9
289.18002	100.0
289.21344	5.4
293.21057	4.3
307.19092	35.7
307.22443	3.2
325.14560	4.3
325.19913	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03954	6.7
55.01865	34.2
55.05510	89.4
55.05760	6.7
57.03439	32.7
59.05013	8.1
67.05497	60.8
68.56919	3.9
69.03442	9.4
69.07068	46.2
69.41243	4.2
70.80325	12.9
71.05001	9.9
79.05492	63.5
81.03429	27.8
81.07051	99.6
83.01331	22.1
83.04982	50.2
83.08622	46.0
85.02924	12.4
85.06576	6.4
91.05477	38.9
93.07041	71.0
95.04958	20.6
95.08610	40.1
97.06565	30.9
97.10172	63.7
98.97601	8.3
99.04491	6.2
99.08105	5.8
103.30035	4.1
105.07059	19.9
107.04951	24.4
107.08575	44.2
109.06523	28.5
109.10149	46.0
111.04453	41.6
111.08114	17.5
111.11741	14.6
117.07019	26.4
119.08598	33.1
121.06525	11.2
121.10170	34.8
123.08072	35.3
123.11732	13.1
125.06074	5.6
125.09641	26.2
128.06233	6.0
129.07011	11.8
130.07800	5.0
131.08604	15.7
133.06485	4.1
133.10147	16.5
135.08076	17.6
135.11708	31.2
137.09644	19.0
139.11217	29.5
143.08531	6.9
145.06461	5.8
145.10117	43.2
147.08055	11.5
147.11714	10.1
148.21875	5.0
149.09659	6.9
151.07544	7.0
151.11172	6.7
153.09116	7.0
153.12721	24.0
155.08595	7.9
157.12251	22.4
159.08121	11.0
159.11755	8.3
161.09659	6.5
163.11185	80.2
167.19392	4.7
173.09622	29.5
181.12215	34.2
183.11792	5.2
189.11243	15.5
191.10689	39.9
209.11713	100.0
227.12781	87.0
227.14911	5.8
233.15251	6.7
251.22525	4.4
253.12852	9.6
261.18500	11.6
262.13358	5.9
263.16473	21.7
271.17020	11.1
271.76001	4.3
281.17688	5.4
289.18002	47.5
307.19037	58.6
307.22375	7.1
325.14429	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	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03935	3.0
55.01869	8.4
55.05313	1.8
55.05519	20.4
57.03428	6.0
57.07065	4.5
64.19709	2.3
67.05511	31.7
69.03423	4.7
69.07084	20.0
70.96757	4.7
71.04986	5.2
72.90629	2.0
73.06538	8.6
79.05149	2.3
79.05506	25.8
81.03414	3.9
81.07068	47.3
83.04990	5.5
83.08611	8.5
85.02894	3.2
85.06562	2.6
91.05489	20.6
93.07053	27.8
95.04971	9.1
95.08054	3.1
95.08613	32.1
97.06519	14.8
97.10177	4.8
105.07040	23.4
107.04958	3.6
107.08598	20.0
109.06522	10.7
109.10191	15.3
111.08097	4.8
113.05999	2.5
117.07018	7.8
119.07957	1.9
119.08603	24.5
121.06512	6.5
121.10138	16.5
123.08094	6.9
123.11700	4.8
125.09618	3.2
129.07066	2.3
131.08560	9.4
133.10133	22.9
135.08057	6.1
135.11707	5.4
137.09607	5.3
143.08644	2.1
145.10193	9.7
147.11711	14.1
149.09639	7.1
149.13260	4.5
151.11125	2.9
159.11719	6.3
161.13298	4.0
163.11192	6.1
165.12741	4.0
169.10129	2.9
171.11678	2.4
173.13222	5.4
175.11197	3.5
177.12744	5.1
183.13768	2.5
191.14369	4.2
197.13374	3.1
205.12201	2.4
207.17448	3.3
229.19585	5.4
235.16917	3.3
239.17964	3.4
247.20618	2.9
256.62112	2.4
257.18936	6.5
261.22162	6.4
263.20102	16.1
275.20053	26.5
279.23160	4.7
289.21631	8.4
293.21100	7.9
295.22614	3.5
295.87250	2.2
302.26532	2.3
307.22702	100.0
325.23688	10.2
325.27518	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	325.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09735	0.5
55.01880	0.9
55.05513	8.5
57.07038	0.7
67.05499	6.1
69.03423	1.1
69.07072	5.6
71.08633	11.9
79.05493	4.1
81.07053	4.7
83.04964	1.1
83.08621	3.2
91.05468	2.3
93.07036	2.4
95.04950	2.4
95.08598	2.4
97.10176	5.6
98.20742	1.5
98.58999	0.6
99.08089	8.3
101.11604	0.6
105.07011	2.1
107.04965	1.4
107.08601	2.8
108.05742	0.6
109.06515	1.1
109.10186	0.9
111.08052	0.9
119.08558	0.8
121.06494	4.3
121.10152	1.2
123.08127	0.6
125.09634	4.5
133.10077	1.0
135.08061	1.4
135.11748	0.6
143.08482	0.6
151.11174	1.1
153.00385	0.9
153.09132	0.7
155.01923	0.6
157.10208	0.5
159.11652	0.8
164.11942	0.8
165.12741	1.2
167.10736	0.6
171.01436	3.9
176.10747	0.7
177.12729	2.2
185.23250	0.6
195.13756	1.0
203.12851	2.7
237.09671	0.6
237.14948	0.6
257.19135	0.9
275.20047	3.5
281.16562	2.0
285.94083	0.6
293.21106	100.0
294.21460	1.2
303.17978	1.6
307.22659	10.5
325.22696	1.7
325.27182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2376
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
50.43867	2.4
50.55845	2.5
53.03945	4.8
55.01868	10.5
55.05515	62.4
57.03430	10.7
57.07077	16.1
58.32436	2.8
59.05002	3.9
62.06088	4.8
67.05508	96.0
68.83530	2.7
69.03432	9.1
69.07073	49.9
69.95204	7.4
71.05003	6.5
71.08636	9.6
72.20104	2.8
73.06547	4.1
79.05501	49.4
81.03443	7.9
81.07059	95.2
83.04987	18.4
83.08620	33.9
85.02940	6.7
85.06549	11.6
85.10190	6.2
91.05480	44.4
93.07049	64.2
95.04948	27.9
95.08617	66.7
97.02967	3.2
97.06532	9.9
97.10181	20.2
99.08089	10.6
105.07033	47.9
107.04944	14.4
107.08601	51.5
109.06557	15.1
109.10166	50.8
111.04436	5.1
111.08095	12.1
111.11722	3.2
113.09655	6.1
113.24610	2.7
117.07025	12.2
119.08585	25.6
121.06506	18.2
121.10152	25.5
123.08076	11.0
123.11716	17.6
125.05997	3.1
125.09683	14.3
129.07014	4.2
131.08566	23.7
133.06541	4.2
133.10141	78.3
134.10394	2.6
135.08090	8.7
135.11716	24.8
137.09622	18.7
139.07573	3.8
141.09109	7.5
145.10165	23.8
147.11729	15.5
149.09587	20.7
149.13264	8.4
151.11194	76.8
153.09044	3.2
153.12752	5.6
157.10162	6.0
159.08057	3.9
159.11708	12.3
161.09610	7.5
161.13275	4.5
163.03961	3.2
163.11212	20.7
163.14700	3.4
163.47456	2.6
165.12743	6.1
169.10130	3.0
173.09720	3.7
173.13239	8.8
175.11263	4.0
177.12766	9.7
179.10690	18.1
181.12303	9.1
183.11722	4.6
183.13820	30.3
187.11258	3.7
195.13817	7.1
207.13795	6.5
209.15283	3.3
219.13753	4.4
219.17548	2.8
222.22334	2.7
223.13258	4.3
229.19481	8.5
237.14894	5.3
239.17964	4.4
247.20560	26.6
257.18997	15.7
265.21631	11.1
275.13223	2.8
275.20081	100.0
287.22156	3.3
289.21674	4.4
293.21100	78.1
302.06702	2.6
307.22702	43.0
318.04852	3.1
325.23694	15.7
325.27466	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	325.2374
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
53.03944	6.2
55.01879	12.5
55.05513	56.8
55.13807	1.6
56.37648	1.9
57.03427	11.7
57.07072	12.1
65.03944	3.9
67.05508	83.3
69.03424	4.2
69.07069	49.1
69.77599	3.5
69.78015	6.5
71.04980	6.9
71.08631	8.2
73.06558	1.8
77.84477	1.7
79.05498	49.1
81.03411	11.1
81.07059	100.0
83.04985	18.6
83.08624	38.1
85.02908	3.8
85.06537	9.6
85.10182	9.0
91.05485	49.2
93.07043	56.1
95.04979	23.7
95.08610	59.1
97.02905	3.0
97.06534	15.4
97.10184	18.0
98.20798	1.9
99.04431	2.4
99.08094	6.9
105.07037	48.2
107.04946	16.1
107.08594	49.0
109.06529	12.3
109.10163	52.2
111.04440	5.9
111.08083	11.5
111.11671	1.9
113.09619	8.1
116.12492	1.6
117.07031	10.5
119.08587	23.9
121.06544	13.8
121.10134	24.1
123.08095	12.4
123.11702	17.7
125.06007	1.8
125.09623	17.5
127.07524	2.5
129.07027	2.7
130.07814	1.6
131.08583	17.4
133.06502	3.8
133.10132	63.3
135.08040	7.1
135.11699	17.8
136.28696	1.9
137.09622	17.2
137.13229	1.6
139.07510	2.5
139.11223	3.6
141.06966	3.4
141.09105	5.1
143.08571	3.2
145.10120	18.5
147.08070	1.9
147.11684	11.9
149.09604	15.3
149.13257	6.0
151.11182	57.6
153.09081	2.0
153.12720	4.4
155.08533	2.1
157.10146	3.8
159.08076	2.7
159.11707	10.6
161.09599	3.7
161.13298	3.9
163.11182	22.0
163.14825	2.6
165.09146	2.9
165.12746	6.5
167.10718	4.3
169.10074	2.1
169.12241	3.5
171.11726	4.1
173.09607	3.6
173.13211	8.6
175.11325	2.6
177.09209	2.1
177.12761	7.4
179.10681	7.1
181.12254	8.9
183.11966	1.9
183.12244	2.1
183.13844	16.8
184.10333	1.8
187.11237	3.8
187.14745	2.3
189.12675	2.7
191.10725	3.2
191.14313	3.1
193.12326	2.4
195.13800	8.2
197.13266	1.6
201.12791	3.5
203.12782	2.1
207.13814	5.1
209.11461	1.6
209.15335	2.1
210.62483	1.5
211.13354	3.9
215.17975	1.9
219.13826	5.3
223.13371	3.3
229.19536	5.4
237.14920	4.2
239.17886	5.3
247.20599	17.3
257.18988	14.8
265.21588	15.3
275.16974	1.9
275.20056	79.7
293.21109	91.9
307.22675	34.7
321.90649	1.7
325.23676	18.6
325.27399	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56857	0.5
55.01869	1.1
55.05278	0.7
55.05516	7.9
57.03414	0.5
63.79238	0.5
67.05510	5.6
69.03431	1.0
69.07070	5.0
69.46389	2.0
69.46820	1.7
71.08636	10.0
74.10059	0.5
79.05510	3.4
81.07061	4.8
83.04971	0.8
83.08628	3.2
91.05475	1.3
93.07045	3.5
95.04958	2.4
95.08628	2.7
97.10170	6.2
97.81042	0.5
98.21555	0.8
99.08105	5.2
105.07048	1.3
107.04951	1.5
107.08591	3.3
108.05724	1.1
109.06544	0.9
109.10141	1.0
117.06992	0.8
118.68228	0.5
119.08595	0.8
121.06534	3.7
121.10167	0.8
123.08147	0.7
125.09625	5.3
131.08609	0.9
133.10114	0.5
135.08038	1.6
139.11270	0.5
145.10101	0.9
147.11699	0.5
149.09610	0.6
151.11206	1.0
153.09106	1.1
164.11949	1.3
165.12776	1.0
167.10709	0.9
177.12752	2.2
179.58246	0.5
191.14389	0.6
201.12851	0.6
203.12823	2.7
218.25815	0.5
222.68828	0.4
237.15002	0.7
246.27007	0.5
257.19052	1.2
275.20074	4.7
293.21124	100.0
294.21576	1.0
307.22675	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	325.2738
Annotation	Barbatol
Peak:m/z	Relative Intensity
51.12179	0.6
55.01859	1.2
55.05515	34.8
57.03440	16.2
57.07079	18.5
61.30871	0.6
67.05514	6.9
69.07071	40.6
70.97375	0.8
70.97722	1.2
71.08631	10.7
73.02901	0.9
73.06561	0.8
77.23512	0.6
78.89079	0.6
79.05482	3.5
81.07054	8.8
83.04994	0.7
83.08621	35.0
85.06505	0.7
85.10181	6.7
91.05483	1.1
93.07041	5.0
95.08604	8.6
97.06544	4.5
97.10172	25.4
107.08578	4.2
109.10165	4.2
111.08076	2.1
111.11736	7.5
121.10134	5.9
123.11707	1.5
125.09660	0.7
125.13318	1.5
135.11667	3.5
139.11148	0.9
149.13335	1.6
153.12761	0.7
153.16359	0.7
163.14821	1.1
177.16380	1.1
233.22554	1.3
233.72784	0.6
251.23566	1.0
293.20975	0.9
315.86102	0.8
325.27393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2738
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.58430	6.6
55.05514	43.9
57.03427	7.2
57.07084	15.4
67.05521	46.1
69.07074	54.2
69.15781	38.0
69.16217	31.3
71.04997	20.2
71.08636	12.2
72.39587	6.0
79.05503	29.4
81.07061	70.0
83.04975	13.9
83.08633	32.9
85.06518	14.5
91.05478	21.1
93.07048	44.1
93.43037	7.7
93.57266	6.7
95.04968	21.8
95.08611	100.0
95.92053	6.4
97.06510	13.1
97.10164	23.6
99.08091	14.7
101.05981	7.8
105.07070	13.4
107.08600	44.0
107.89853	6.3
109.10162	72.9
111.08097	8.2
111.11714	8.5
115.07578	29.0
119.08583	20.3
121.10166	42.2
123.11720	30.3
125.09674	16.5
129.09125	13.3
131.08614	11.8
133.10147	12.2
135.08064	10.1
135.11697	44.5
137.09642	8.1
137.13272	19.0
138.28476	6.1
139.11157	9.9
141.36504	7.2
147.11716	11.8
149.13263	36.2
151.11165	10.4
159.11705	10.8
161.13182	7.1
163.11159	10.3
163.14832	39.8
173.13248	8.5
175.14880	10.2
177.12761	6.7
177.16402	14.6
191.17982	27.5
193.19530	16.4
201.16487	9.9
205.19508	23.8
217.19434	8.9
219.60715	6.7
223.13490	7.8
266.06396	6.3
271.24066	34.0
275.19965	11.2
289.25266	28.2
293.21057	38.1
307.22659	10.0
307.26224	25.3
325.23672	20.7
325.27347	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
54.66227	0.9
55.01876	6.6
55.05512	6.7
57.03429	2.1
57.07067	1.4
65.03934	1.4
66.20171	0.9
66.86523	0.8
67.05507	27.7
68.93235	0.8
69.03433	2.6
69.07069	11.1
71.04987	4.0
71.25863	2.0
76.55412	0.8
77.28265	0.8
79.05499	12.0
81.03416	2.0
81.07056	31.6
83.04977	6.1
83.08611	2.6
84.09791	1.0
85.02903	1.4
85.06532	4.0
91.05482	19.3
93.07045	13.8
94.96521	0.9
95.04967	4.7
95.08624	8.6
97.06524	2.3
98.98469	100.0
99.04442	3.1
99.08098	1.7
105.07035	23.0
107.04990	2.0
107.08604	22.7
109.06520	4.4
109.10159	43.4
111.08108	1.7
112.68977	1.0
113.06030	1.7
116.99541	1.3
117.07048	1.8
119.08580	2.4
120.40147	0.9
121.06510	1.1
121.10148	2.6
123.08105	2.1
123.11706	7.6
125.09630	1.2
127.07558	2.9
131.08560	2.9
132.58435	0.9
133.06548	1.2
133.10133	54.1
135.08041	1.8
135.11684	2.5
143.08502	1.0
145.10141	2.0
147.08015	1.3
147.11687	1.7
149.09590	2.5
151.11185	41.1
157.10123	1.1
159.08032	1.1
159.11662	1.3
161.09595	2.3
163.11182	1.7
169.12222	14.1
171.11729	1.7
174.99246	12.0
175.11192	1.0
179.10703	3.4
193.04950	1.3
197.11728	1.1
215.12791	5.6
241.12207	1.0
245.18982	1.3
251.00005	2.1
255.17439	1.7
263.20129	2.1
263.64078	1.0
273.18561	7.2
273.21106	1.4
291.19516	14.9
293.60480	1.1
325.76361	5.2
326.22238	1.2
326.26508	1.7
326.34265	2.0
327.25366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.1
57.03438	6.7
69.03438	2.2
70.02956	10.7
71.01363	2.2
71.51345	2.2
73.02923	3.0
82.99858	3.7
85.02896	5.4
86.09718	1.5
94.99852	2.0
97.02888	3.1
98.98476	43.9
101.00893	24.3
113.00861	19.6
113.03504	13.8
115.03920	3.3
119.01923	26.8
131.01910	28.9
133.04994	2.5
137.02922	1.8
139.02429	1.7
143.01917	10.0
153.01448	11.5
155.01912	17.3
157.03465	15.9
161.02963	14.6
167.01884	4.4
171.02524	64.3
173.02985	18.9
173.61787	1.5
174.99223	6.3
175.04512	3.8
182.02991	4.1
185.02963	21.7
189.03583	88.9
190.03702	1.6
195.02504	13.6
203.04002	2.4
207.02525	11.7
209.03990	2.5
213.03586	100.0
214.03798	2.4
215.03847	7.6
225.03561	43.8
225.05736	2.7
227.05145	5.9
231.04637	37.2
233.05077	23.5
237.01311	2.0
237.03467	10.1
242.08003	1.4
243.04671	9.2
249.03662	3.6
255.04628	17.6
267.04694	6.3
285.05734	4.3
291.09140	2.1
303.06726	4.7
327.06757	94.9
338.07678	1.4
345.07910	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	327.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	6.1
55.05511	24.9
57.03423	4.7
67.05501	19.2
68.35651	1.3
69.03431	3.7
69.07074	9.8
70.96902	3.1
71.04989	1.4
79.05493	17.3
81.03418	6.2
81.07064	36.4
83.04968	5.7
83.08620	19.4
85.02926	1.8
85.06506	1.4
91.05482	6.6
93.07043	13.9
95.04967	8.9
95.08620	9.8
97.06548	8.0
97.10175	28.2
98.98470	100.0
99.08090	5.0
105.07047	7.2
107.04964	3.4
107.08582	10.6
109.06524	4.2
109.10178	4.8
111.04446	5.8
111.08100	2.2
113.79219	1.5
117.07026	2.8
119.08556	7.8
121.06485	1.9
121.10165	4.6
123.08052	16.8
125.09628	26.2
129.07014	1.7
131.08525	3.4
133.10190	2.5
135.08043	2.9
135.11728	4.0
137.09581	3.6
139.11191	2.5
145.10136	6.3
147.07974	3.2
147.11717	2.0
149.09581	3.1
153.09128	3.6
153.12781	1.7
159.11668	2.2
160.13884	1.4
163.11156	10.6
165.09148	4.8
171.10176	6.6
173.09407	1.7
174.99229	15.0
181.12195	2.7
189.11229	31.6
191.10750	2.4
193.12256	4.3
211.13298	4.0
222.90660	1.7
223.13243	2.2
227.12799	3.2
227.17886	1.7
245.18953	1.7
251.00171	1.8
273.18469	12.9
291.19540	51.6
309.20605	25.6
327.16406	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	327.2167
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
55.01878	27.2
55.05511	7.5
57.03436	2.4
59.05021	0.9
65.03925	1.4
67.05173	1.5
67.05508	16.2
69.03436	1.0
69.07072	9.3
70.53516	0.9
70.77032	1.5
70.77338	1.1
71.04993	2.1
79.05505	7.0
81.03416	3.7
81.07049	6.9
82.03798	0.8
83.04996	4.8
83.08612	4.3
87.67876	0.9
91.05481	4.5
93.07071	6.3
95.04978	9.2
95.08617	5.3
97.06539	29.4
97.10161	3.8
98.98473	100.0
99.04439	2.4
105.07031	3.0
107.04986	2.0
107.08588	5.0
109.06567	1.9
109.10171	9.2
111.04458	8.0
111.08082	1.9
116.99521	1.2
117.07001	1.5
119.08567	4.0
121.10147	2.5
121.80764	0.8
123.08066	2.5
125.09633	4.8
129.06990	1.1
131.08557	1.7
133.10214	4.3
133.11012	0.9
135.08043	1.1
135.11708	1.0
135.61917	0.9
137.09610	7.5
140.01108	0.9
143.08534	1.5
143.30678	1.0
145.10143	1.8
147.11755	1.8
149.09648	0.9
153.09082	2.0
155.10660	1.0
157.10190	1.4
159.11720	1.5
161.09593	2.1
163.11133	1.5
173.11739	3.0
174.99225	14.7
175.11107	1.6
179.10649	1.0
183.13762	1.5
189.11214	1.5
195.13799	1.0
211.13306	3.4
221.15450	1.0
236.68341	0.9
249.14839	1.7
251.00050	2.6
263.20062	6.3
267.16006	2.4
273.18536	5.7
281.21069	5.3
291.19543	21.9
292.19650	1.2
306.43063	0.9
309.20624	46.0
322.98926	1.1
327.21542	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.5
55.01871	3.6
55.05508	8.9
56.32903	1.6
57.03441	3.7
57.07064	4.1
59.04963	1.8
67.05505	17.4
69.07063	12.0
69.98637	3.6
69.99036	3.5
77.61369	1.6
79.05495	13.8
81.03419	2.7
81.07049	22.6
83.04964	2.8
83.08624	4.1
85.06535	2.8
91.05479	25.6
93.07045	54.6
95.04967	47.3
95.08615	37.9
97.06532	14.3
98.98470	100.0
105.07035	43.2
107.08589	23.5
109.06530	6.4
109.10165	11.1
115.05468	2.2
117.07047	11.3
119.08585	42.8
121.06516	13.1
121.10141	21.9
123.08076	9.1
123.11721	6.1
128.06229	5.7
129.07008	7.0
130.07776	3.6
131.08578	19.6
133.06522	2.4
133.10130	32.2
135.08081	8.0
135.11710	7.0
137.09612	5.5
141.06972	2.2
142.07782	8.4
143.08565	14.3
144.09348	5.8
145.10114	28.8
147.08054	3.0
147.11667	9.4
149.09650	4.5
151.14890	1.7
152.06236	5.8
153.07027	3.9
155.08557	3.6
156.09428	5.4
157.10126	20.7
159.08086	4.3
159.11711	27.8
160.12473	2.0
161.09602	12.3
161.13245	2.4
163.11165	2.1
167.08606	3.7
168.09367	2.1
169.10112	11.2
170.10974	4.0
171.11702	11.0
173.09657	2.6
173.13287	11.9
174.99231	14.4
175.11275	2.3
175.14836	11.6
179.08620	2.2
181.10165	3.2
182.10887	2.7
183.11739	5.7
184.80550	2.0
185.13264	5.5
187.11214	6.0
187.14796	9.2
189.12802	1.9
193.10188	2.6
194.10902	2.4
195.11703	5.2
195.45087	2.0
196.12419	2.2
196.33275	1.8
197.09689	1.9
197.13243	6.2
199.14841	6.4
201.16364	3.2
209.13290	6.8
211.14861	4.9
215.02531	2.2
217.16037	3.3
221.13121	2.4
223.14781	3.1
225.16412	3.3
233.03773	3.0
235.14642	3.6
281.22879	2.5
291.21164	3.4
309.22223	7.3
327.07794	26.0
327.23123	10.6
328.87775	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01870	2.1
55.05519	6.2
57.03429	1.4
57.07064	3.8
59.04979	1.4
61.76036	1.2
64.68832	1.1
67.05512	17.4
68.48099	1.2
69.03410	1.2
69.07075	7.1
69.85187	6.2
74.61681	1.4
79.05506	10.8
81.03434	1.7
81.07059	16.6
83.04965	1.2
83.08623	3.4
85.06540	3.0
86.38367	1.2
90.89172	1.1
91.05479	20.5
93.07046	36.5
95.04971	40.8
95.08609	30.0
95.18925	1.3
97.06538	10.6
98.20831	1.9
98.98470	100.0
103.05495	1.5
105.04497	1.5
105.07035	30.5
107.08604	20.0
109.06509	5.5
109.10175	12.6
114.88205	1.1
115.05470	2.3
117.07028	7.1
119.08583	35.2
121.06511	10.7
121.10148	17.0
123.08080	7.0
123.11723	5.6
125.09666	1.2
128.06216	2.3
129.07002	3.9
130.07773	2.7
131.08571	13.6
133.06541	2.4
133.10139	23.2
135.08058	6.6
135.11705	7.7
137.09622	2.7
141.07005	3.5
142.07788	5.5
143.08603	9.3
144.09352	3.0
145.10129	22.0
147.08067	2.8
147.11707	8.3
149.09627	3.7
149.13280	1.6
151.11206	1.5
155.08554	4.3
156.09331	3.8
157.10139	16.1
158.10898	2.8
159.08055	2.1
159.11713	21.7
160.12500	1.8
161.09689	6.4
161.13272	4.0
162.13303	1.5
163.11172	2.3
168.09323	1.3
169.10176	7.8
171.11665	6.0
172.12401	2.1
173.09644	2.0
173.13251	9.9
174.99243	14.8
175.11293	1.5
175.14818	10.9
179.08549	1.6
181.10144	2.7
182.10886	2.1
183.11681	5.1
185.13271	4.5
187.11214	4.4
187.14778	6.2
189.16431	2.1
193.10149	2.3
194.10846	1.8
195.11737	4.2
197.13260	4.4
199.14806	4.7
201.16473	1.8
205.10011	1.5
205.15884	1.8
207.11685	1.8
209.13289	4.8
211.14879	3.6
213.16328	2.0
217.15900	3.1
221.13245	1.6
223.14735	2.0
225.16415	2.3
229.15834	1.8
235.14859	1.8
239.17896	1.8
241.19594	1.3
251.00079	2.0
253.15926	2.9
265.19324	1.7
291.20947	2.4
295.22696	2.8
309.22098	3.4
327.08139	1.4
327.23102	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	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
56.96564	1.0
57.03427	2.0
59.05005	29.9
61.02929	0.8
69.03431	1.2
69.07057	1.6
70.06602	7.3
70.43439	1.7
70.43793	1.0
72.08160	10.0
73.06559	65.2
74.06091	0.6
81.03409	1.0
84.08116	0.7
84.20569	0.6
85.02904	6.4
86.09708	19.6
97.02893	1.3
98.98470	100.0
99.04382	0.6
105.07008	0.9
116.07100	16.8
116.99525	2.3
117.09143	7.2
120.08125	1.1
127.03898	1.3
130.15942	5.6
131.10709	5.9
138.09131	1.4
142.76714	0.6
149.11742	44.8
166.08603	3.3
174.99242	10.7
175.06383	1.1
175.99544	1.8
176.98935	4.6
185.16515	8.5
201.04314	0.7
213.15997	5.1
237.06310	1.0
237.43497	0.7
251.00099	1.5
252.99844	1.6
328.21207	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.01868	2.1
55.05509	12.1
57.03424	3.0
57.07066	0.8
59.05001	1.3
61.33923	0.8
67.05508	35.3
68.95026	0.7
69.03409	1.3
69.06738	1.1
69.07073	14.9
71.04971	2.2
71.14050	1.5
79.05500	14.8
81.03429	1.7
81.07059	41.5
83.04984	3.5
83.08627	11.2
85.06541	2.2
91.05489	11.1
93.07051	17.0
95.04964	2.9
95.08612	18.3
97.06537	6.6
97.10169	6.4
97.69308	0.8
98.98472	100.0
99.08073	2.4
105.07034	11.7
107.04931	2.6
107.08598	17.6
109.06512	3.7
109.10163	19.8
110.10484	0.9
111.08066	2.4
116.99528	1.3
117.07029	4.0
119.08582	10.3
121.06493	1.8
121.10162	8.4
123.08066	1.8
123.11694	3.7
125.09640	7.1
131.08563	6.0
133.10135	11.8
135.08009	2.1
135.11705	5.4
137.09573	1.8
139.11131	2.2
145.10172	4.0
147.07953	1.1
147.11661	5.6
149.09619	6.5
149.12401	0.9
149.13278	9.4
151.11078	1.0
155.10712	5.2
157.10156	1.1
157.65317	0.8
159.11693	5.0
161.13211	2.0
163.11169	2.2
165.12796	0.9
167.14305	1.1
171.10211	1.0
171.11662	1.9
173.11758	20.4
173.13258	2.4
174.99248	9.3
175.99585	1.3
176.98917	2.9
177.12747	2.9
189.11247	7.4
195.13817	18.8
213.14896	8.8
239.17917	2.9
247.20563	1.0
252.99702	1.2
257.18927	4.6
275.20062	39.1
292.23398	1.9
293.21103	8.8
328.24811	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
54.58352	3.8
55.01874	20.9
55.05516	34.0
57.03436	4.4
57.07076	8.5
67.05508	79.7
69.07070	22.9
69.33932	23.7
69.34350	11.0
71.04973	13.9
78.13732	4.2
79.05499	35.4
81.03410	9.1
81.07067	82.6
83.04989	10.3
83.08611	14.9
83.42661	4.2
85.06540	8.3
91.05495	34.5
93.07049	48.6
93.14192	4.4
95.04977	18.1
95.08628	41.7
97.06533	8.7
98.97873	6.3
98.98477	100.0
99.04388	4.0
99.08069	4.5
105.07034	56.9
107.08589	53.7
109.06502	10.0
109.10175	84.0
111.08056	6.5
113.05994	4.7
117.07012	9.2
119.08570	22.4
121.10149	15.1
123.08081	8.7
123.11699	16.7
125.09656	7.7
127.07533	6.3
131.08554	14.3
133.10135	98.5
135.11736	11.0
137.09592	18.1
143.08531	5.3
145.10121	11.8
147.11720	5.3
149.09627	9.2
151.11206	80.2
159.11682	7.7
161.13301	5.9
163.11171	14.1
165.09024	6.0
169.12215	23.8
174.99185	13.4
177.12791	5.6
179.10675	7.8
215.12727	12.0
257.19028	7.7
275.20096	61.7
293.21179	54.9
296.23196	8.6
328.32040	6.0
328.35678	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01870	5.8
55.05515	34.2
57.03426	2.3
67.05508	24.7
69.03438	4.4
69.07074	67.0
69.38040	11.8
69.83942	1.5
71.04987	1.8
79.05499	28.4
79.13242	1.4
80.01026	1.3
81.03411	2.0
81.07062	26.8
83.04980	4.6
83.08624	26.0
91.05486	14.9
93.07054	16.9
95.04982	2.4
95.08620	18.3
97.06539	11.5
97.10180	45.6
98.98473	56.9
99.08094	1.7
105.07036	17.2
107.04966	5.5
107.08601	58.2
109.06514	2.7
109.10162	6.4
111.08074	1.6
111.28002	1.4
113.09658	2.2
117.07044	2.8
119.08589	15.1
121.06487	2.5
121.10178	8.2
123.08084	3.3
123.11681	3.0
125.09636	45.8
131.08563	5.5
133.10133	13.2
135.08086	7.2
135.11691	5.5
137.09654	2.2
145.10124	7.5
147.11655	8.7
149.09634	19.4
151.11159	2.1
153.09097	2.9
153.97920	1.3
159.11708	7.0
161.09671	1.5
161.13251	7.8
163.11195	7.6
165.09117	2.3
165.12802	3.9
169.10196	1.9
171.10176	8.9
171.11606	2.0
173.13284	4.9
174.99297	7.2
175.11218	2.0
177.12723	3.3
179.14293	9.5
181.12311	2.3
183.11737	1.8
187.11246	2.0
187.14787	1.5
187.74118	1.6
189.11243	53.7
189.12723	2.4
195.13872	2.1
198.15004	2.4
199.14838	1.6
205.12256	1.6
215.17978	2.0
229.19513	2.6
233.19012	1.6
239.18066	4.2
241.14426	1.5
247.20641	3.4
257.18951	11.5
275.20078	100.0
293.21152	19.5
305.65817	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76456	1.2
53.03938	3.7
54.67772	1.4
55.01874	1.7
55.05514	12.6
57.03431	2.9
60.91708	1.4
67.05509	34.3
69.03426	4.8
69.07074	15.8
70.42058	2.5
71.04978	2.4
79.05082	2.2
79.05497	28.3
81.03412	2.9
81.06593	2.1
81.07059	40.1
83.04993	2.3
83.08627	6.3
83.41339	1.3
85.06536	1.7
91.05482	32.0
93.07050	50.2
95.04985	9.8
95.08608	17.4
97.06513	6.2
97.10164	3.7
98.09683	1.7
98.98471	100.0
99.08078	2.0
105.07030	22.2
107.04897	2.2
107.08606	15.1
109.06516	4.1
109.10129	7.8
111.08094	2.3
113.56832	1.3
116.99577	1.5
117.07034	6.3
119.08581	20.2
121.06455	2.1
121.10140	14.3
123.08066	5.1
123.11694	4.7
125.09629	2.6
129.06996	2.5
131.08560	7.7
133.10135	16.2
135.08044	2.8
135.11708	13.0
137.09610	3.3
145.10112	5.4
147.11693	8.4
149.09599	3.8
149.13245	5.0
157.10104	1.8
159.11720	5.1
161.13295	1.9
161.69373	1.3
163.08107	1.5
163.11174	5.0
173.13258	3.3
174.99196	7.2
176.98878	2.7
177.12761	1.6
181.12222	7.0
183.11729	1.6
189.12759	2.7
189.16261	1.3
195.13812	7.2
199.14824	3.8
202.16936	1.2
213.16336	1.7
235.16908	9.0
239.18036	1.8
257.19086	2.2
269.41910	1.5
275.20047	23.0
290.85873	1.3
293.20981	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86193	3.8
53.03922	4.2
55.01874	4.8
55.05515	31.5
57.03432	7.5
65.90568	3.6
67.05508	67.0
67.19987	3.9
69.03430	6.0
69.07071	50.5
69.83543	17.4
71.04973	7.9
73.32123	4.0
76.53896	3.8
79.05499	45.3
81.03423	14.6
81.07061	100.0
83.04987	10.5
83.08626	15.8
85.06532	7.9
91.05482	39.2
93.07059	42.1
95.04988	15.7
95.08617	37.6
97.06532	15.6
97.10180	9.0
98.09691	5.7
98.98469	71.5
99.08098	5.3
103.01799	3.9
105.07042	34.9
107.04917	5.1
107.08585	21.6
109.06554	10.9
109.10149	14.6
111.08117	8.8
117.07035	9.6
119.08579	30.2
121.10146	23.6
123.08084	15.9
123.11703	12.0
125.09651	4.8
131.08597	14.9
133.10149	31.9
135.08112	6.0
135.11693	26.3
137.09653	9.8
145.10141	9.8
147.11682	25.2
149.09669	9.4
149.13292	13.0
159.11710	13.7
163.11229	10.9
165.12750	4.2
173.13419	4.4
174.99242	8.7
177.12750	6.2
181.12279	29.7
185.13333	4.2
193.12312	4.9
195.13817	18.3
207.13908	4.6
257.18915	4.0
275.20096	48.4
293.21136	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	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04475	0.6
55.01878	3.8
55.05515	4.0
56.49784	0.7
57.03434	0.9
57.20492	0.7
67.05510	10.0
68.81384	0.7
69.03420	1.2
69.07066	3.8
71.05009	1.4
71.52220	0.9
79.05497	6.2
81.03400	1.0
81.07062	7.7
83.04979	2.5
83.08619	3.3
85.06541	1.5
91.05485	4.9
93.07043	5.9
95.04958	3.5
95.08615	6.2
97.06550	1.6
97.10172	0.9
98.98476	100.0
104.09948	0.6
105.07044	6.8
107.04998	1.1
107.08607	6.8
109.06518	1.6
109.09454	1.2
109.10157	9.3
111.04462	1.0
113.09613	0.8
116.99522	1.7
117.06973	1.0
119.08600	3.9
121.06505	1.6
121.10157	2.9
123.08067	1.2
123.11707	1.9
125.09653	2.3
131.08600	2.2
133.10138	11.5
137.09668	2.3
140.01105	1.6
145.10124	2.2
147.11722	1.7
149.09604	1.6
151.11189	7.1
157.41266	0.6
159.08070	0.8
159.11734	1.4
161.13371	0.9
163.11212	1.7
165.12704	0.9
167.10684	1.0
169.12260	2.1
174.99254	9.4
175.99564	1.6
176.98984	4.2
185.09738	0.8
187.11194	0.8
193.12434	0.7
195.13861	0.9
210.50093	0.7
211.13324	0.7
215.12875	1.5
220.14691	1.1
246.16241	2.4
247.20563	1.1
252.99745	1.5
257.19177	1.9
258.65540	0.7
275.20157	8.7
293.21185	8.0
328.20291	2.9
328.32263	4.2
328.35666	1.4
334.57877	0.8
348.90689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2323
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
53.03955	0.2
55.01891	0.4
55.05511	1.6
56.96568	0.3
57.03428	0.8
67.05508	4.2
69.03421	0.7
69.07078	2.4
71.05000	1.7
71.52773	0.3
72.75575	0.2
77.01607	0.3
79.05498	2.5
79.74088	0.2
81.03439	0.3
81.07056	3.8
83.04995	0.9
83.08627	0.7
85.06545	0.4
91.05492	2.3
93.07051	3.5
95.04977	2.1
95.08626	2.7
96.20170	0.2
97.06532	5.0
97.10181	0.7
98.98473	100.0
99.08137	0.3
100.98868	0.8
101.06028	0.4
105.07042	2.0
107.08617	1.7
109.06525	0.5
109.10164	1.3
111.08070	0.5
116.99487	1.7
117.07029	0.9
119.08595	1.5
121.06567	0.2
121.10168	1.9
123.08064	0.2
123.70475	0.2
124.50314	0.2
125.09631	0.6
128.06232	0.4
129.07004	0.5
129.09155	0.5
131.04939	0.5
131.08543	1.5
133.10159	1.2
135.08076	0.3
135.11716	1.0
137.09569	0.3
139.11160	0.8
140.01102	1.0
141.06984	0.2
143.08600	0.5
145.10178	1.0
147.04407	0.3
147.08038	0.3
147.11720	0.8
149.09663	0.5
149.13306	0.4
151.11186	0.2
155.08568	0.4
157.06493	0.7
157.10181	0.5
159.08096	0.5
159.11681	0.4
161.09576	0.4
161.13268	0.7
167.08585	0.4
169.06471	0.3
169.10120	0.3
171.11703	0.3
172.08792	0.3
173.11885	0.4
174.99243	10.0
175.07632	0.5
175.99542	0.2
176.98929	4.4
184.08839	0.6
185.09663	1.1
185.13297	0.2
187.07597	0.3
189.11197	0.3
189.12773	0.3
194.10986	0.2
195.11711	0.2
197.06018	0.7
199.07590	0.7
201.09061	0.4
203.12805	0.9
209.09657	0.9
212.08330	1.5
213.09149	0.9
213.12756	0.5
215.07127	0.6
215.10638	0.4
223.11313	0.3
225.14786	0.5
227.10861	0.2
229.12163	0.3
239.10728	0.3
239.18115	0.3
241.12256	4.0
243.06587	0.6
251.00072	0.8
252.99719	1.9
255.13806	0.4
257.19260	0.3
259.06155	0.4
261.07632	0.4
265.12375	0.4
275.20111	1.8
283.13354	0.6
283.16983	0.7
285.11255	3.0
293.21222	1.1
301.14438	0.3
311.12827	1.6
311.16376	0.5
329.13870	1.4
329.17535	0.9
329.21149	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2324
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.05507	1.8
57.03434	0.5
57.07070	0.6
63.52940	0.4
63.53774	0.4
67.05508	4.5
69.03413	0.4
69.07068	2.2
71.04974	0.8
71.08640	5.2
71.25055	0.5
76.74502	0.4
79.05504	2.5
81.07085	2.2
83.04984	1.7
83.08617	1.2
91.05499	1.8
92.50598	0.5
93.07055	2.6
95.04984	0.8
95.08615	2.4
97.06538	11.1
97.10173	0.7
98.98475	100.0
99.08109	3.2
100.98901	0.7
105.07032	1.4
107.08611	1.7
109.10168	2.9
110.98723	0.4
116.99512	1.6
119.08588	0.8
121.10160	1.3
123.08055	0.4
125.09666	0.4
129.06938	0.5
131.04980	0.8
131.08566	0.9
133.10155	1.1
135.08078	0.4
137.09644	0.9
139.11183	3.3
140.01097	0.7
145.10118	0.6
149.09665	0.6
149.13223	0.5
151.07552	0.6
151.11215	1.5
155.10664	1.8
157.10133	0.6
159.11729	0.5
161.09627	0.6
173.11760	1.4
174.99242	8.9
176.98921	4.7
177.12813	0.7
182.86540	0.4
195.13867	1.4
199.07669	1.0
209.09679	0.9
211.11194	0.5
211.21120	0.4
215.10934	0.6
219.17453	0.8
241.12321	0.8
242.95700	0.4
243.06563	2.5
251.00069	0.6
252.99684	1.9
265.21579	0.8
275.20090	2.1
285.11359	2.0
285.14743	0.5
293.21149	10.3
311.22232	8.2
329.17468	1.1
329.21182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2322
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
55.01873	0.5
55.05505	1.9
56.48374	0.4
57.03436	0.8
67.05499	3.9
69.07061	1.6
69.71970	2.8
71.04996	0.8
71.08636	4.7
73.01571	0.4
78.79480	0.4
79.05517	2.3
80.22585	0.4
81.03442	0.6
81.07045	2.1
83.04971	1.4
83.08632	0.5
91.05458	1.3
93.07029	2.3
95.04933	1.0
95.08601	1.8
97.06535	12.6
97.07157	0.7
97.10175	0.6
98.98470	100.0
99.08085	3.0
100.98893	0.7
105.07026	1.2
107.08581	1.3
109.10155	2.7
111.08126	0.5
115.34119	0.5
116.99490	1.4
119.08598	1.0
121.10176	0.9
129.07027	0.6
131.04898	0.5
131.08571	1.0
137.09634	0.5
139.11182	3.7
140.01126	0.6
143.08609	0.6
145.10103	0.7
151.11198	1.7
155.10684	1.6
159.11691	0.5
161.09621	0.7
169.10201	0.6
173.11781	1.4
174.99246	11.5
176.98959	5.1
177.12801	1.2
195.13829	1.6
199.07616	1.4
209.09656	0.8
215.10745	0.6
241.12270	1.1
243.06592	2.9
251.00127	1.2
252.99760	2.2
275.20093	1.6
285.11255	2.3
293.21088	8.5
311.16473	0.8
311.22171	4.9
329.13943	0.8
329.17575	1.0
329.21182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.9
56.96569	0.3
57.03440	0.5
57.07078	1.8
59.05008	0.9
67.05181	0.4
67.05513	5.9
69.03423	0.6
69.07076	8.0
70.02004	1.1
71.04986	0.6
71.08643	1.0
77.01612	0.3
79.01318	0.2
79.05505	2.4
79.16431	0.2
81.07066	19.9
83.05003	0.5
83.08633	1.7
85.02923	0.4
85.06538	0.3
87.04471	0.3
91.05481	1.1
91.36684	0.3
93.07052	2.6
95.04961	1.4
95.08618	11.5
97.06543	3.4
97.10179	3.4
98.20773	0.3
98.98476	100.0
99.08115	0.3
100.98898	0.6
105.07043	1.2
107.08601	2.6
109.06533	0.5
109.10165	7.5
111.08068	0.5
111.11736	1.4
112.07621	0.7
116.99534	1.5
119.08586	0.9
121.06494	0.5
121.10174	2.5
122.29234	0.2
123.04604	0.3
123.08129	0.3
123.11721	8.8
125.09697	0.5
125.13273	0.6
129.07014	0.6
129.09193	0.3
130.12343	0.3
131.04974	0.4
131.08556	0.5
133.10155	0.8
135.11687	1.1
137.09645	0.4
137.13275	9.2
139.11229	1.6
140.01076	0.7
141.09082	0.3
141.12778	1.0
143.00150	0.3
143.08678	0.4
145.10178	0.7
147.11736	0.5
149.09604	0.4
149.13286	0.9
151.11194	0.5
151.14796	0.6
153.12741	0.7
155.08566	0.4
157.06500	0.7
157.10181	0.3
157.12288	1.0
159.11681	0.6
161.09680	0.5
161.13281	0.7
163.11188	0.4
163.14871	0.4
165.12767	0.4
167.10675	0.4
169.06573	0.3
169.12245	1.5
171.11687	0.3
173.13255	0.5
174.97733	0.5
174.99251	9.7
176.98946	4.4
177.16414	0.6
179.14261	0.3
183.08060	0.3
183.13799	0.3
184.08876	0.9
185.09685	1.3
187.13306	3.3
187.14801	0.6
189.09033	0.3
195.13899	0.3
197.06047	1.0
199.14725	0.3
201.16505	0.4
203.12775	0.3
209.09622	0.8
212.08334	1.9
213.09155	0.9
213.12775	0.3
215.06989	0.3
215.10732	0.4
217.19461	0.3
219.17505	0.5
223.11266	0.4
223.16920	0.7
235.20515	0.6
237.18501	1.4
239.10707	0.3
241.05199	0.3
241.12254	3.7
243.06606	0.7
251.00116	0.8
252.99820	2.3
257.22696	0.6
265.25333	1.2
267.09726	0.4
275.20285	0.3
275.23752	1.0
283.13132	0.4
285.11383	3.0
293.24786	6.0
311.12888	1.8
311.16196	0.4
311.26086	0.6
329.13898	1.2
329.17630	0.6
329.21182	0.6
330.19162	0.6
330.58893	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1913
Annotation	Heliotrine N-oxide
Peak:m/z	Relative Intensity
53.03942	1.5
55.01884	6.2
55.05513	8.9
55.14717	1.1
56.35061	1.1
57.03455	1.3
60.10385	1.3
66.35602	1.2
67.05508	14.6
69.03413	2.6
69.07066	2.2
71.04990	4.1
79.05499	8.0
79.40994	1.4
81.03423	2.3
81.07054	7.4
82.06581	2.0
83.04986	21.0
83.08621	4.6
83.54937	1.2
84.04501	1.8
84.08138	1.3
85.02919	2.4
85.06527	2.8
86.06072	100.0
86.09717	1.8
87.04478	10.9
91.05482	6.9
93.07047	9.6
94.37929	1.2
95.04954	2.1
95.08614	3.8
96.80665	1.1
97.06524	4.3
97.10153	1.2
97.56322	1.3
98.98472	86.0
99.04451	3.0
100.11256	7.7
100.98887	1.6
101.02325	1.6
104.07105	16.7
105.07038	3.0
107.04958	1.8
107.08590	6.7
109.10159	6.5
110.06023	4.0
111.04450	47.4
111.05223	2.3
111.08077	13.9
117.06996	1.7
119.08561	4.3
121.06516	2.0
121.10139	8.9
125.05984	2.7
128.01126	1.2
129.06967	2.4
131.08537	4.2
135.11678	10.3
145.10153	10.9
147.11684	3.1
149.09641	3.5
150.09119	2.9
151.03906	1.7
153.12762	16.6
155.08543	2.3
157.13412	1.3
163.09875	2.0
163.11192	29.9
173.09760	6.1
174.99278	4.6
175.99583	1.9
176.98929	5.7
177.99113	1.6
178.08609	9.1
179.52985	1.2
181.12253	28.6
182.15422	3.8
191.10666	27.1
208.05238	14.2
208.13289	2.3
209.11722	14.7
209.16449	2.4
210.15005	2.8
218.17010	1.4
226.19147	2.5
227.10539	2.4
227.12799	49.0
236.04626	2.6
240.04202	2.1
248.16550	1.5
249.03050	1.1
252.99658	1.2
254.05684	4.2
257.04474	1.8
258.14969	3.8
266.17612	2.1
269.08032	9.9
272.06812	1.9
276.15958	10.1
282.05319	1.8
287.09326	2.0
294.16980	16.8
301.07169	1.9
312.18079	29.0
315.08661	29.6
326.28168	1.5
330.11017	26.3
330.19135	10.9
331.19046	2.0
349.29663	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.6
55.01873	17.8
55.05513	68.7
56.74231	6.8
57.03423	7.1
57.07077	16.5
62.48743	5.4
63.22905	5.8
67.05507	91.8
69.03413	6.6
69.07073	51.4
70.12625	19.9
71.04976	7.7
71.08625	25.2
79.05493	51.2
81.03422	10.4
81.07052	100.0
83.05001	30.1
83.08610	36.0
85.06551	12.9
87.04462	20.5
88.07631	7.9
91.05479	55.4
93.07047	89.6
95.04955	18.9
95.08608	67.6
97.06525	15.5
97.10168	17.8
98.21481	7.1
98.98483	79.9
99.08081	23.3
105.07037	33.1
107.08605	30.2
109.10181	17.2
114.91741	6.9
117.07008	17.6
119.08611	13.3
121.10128	30.3
125.09586	7.5
129.06964	6.2
130.05032	7.8
131.08568	16.0
133.10162	31.0
135.11708	32.4
137.09708	7.1
139.11191	58.6
147.11681	21.0
149.13248	32.0
151.11182	13.3
157.10117	7.1
159.11722	18.1
161.13252	7.6
163.11258	8.0
165.12813	12.0
176.98819	8.1
177.12790	18.8
189.11310	7.6
193.12289	17.6
195.13797	83.0
196.17268	6.4
221.15465	8.5
228.76230	6.1
259.20612	18.6
270.27905	7.1
277.21619	86.7
295.22653	54.1
330.29971	25.3
330.33582	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.8
55.05516	57.3
55.68142	2.3
57.07066	2.5
67.05507	24.8
69.03424	4.8
69.07076	10.9
70.76369	3.5
70.76693	3.4
71.08641	39.9
79.05501	19.9
81.03427	4.5
81.07059	27.1
83.04989	4.0
83.08620	40.1
91.05480	11.6
93.07052	15.7
95.08618	14.7
97.10178	89.8
98.98475	54.1
99.08099	39.4
105.07047	10.7
107.08602	25.4
109.10176	6.4
113.09680	2.1
115.27264	2.6
119.08594	4.6
121.10137	3.7
125.09637	70.2
126.12774	2.9
133.10126	4.5
135.08064	5.6
135.11703	6.2
145.10115	3.1
149.13342	2.5
151.11169	25.9
153.09082	5.8
161.13281	18.8
163.11180	13.7
170.11856	2.8
171.10176	22.9
174.99213	4.0
176.98943	5.0
179.14314	21.8
189.11220	100.0
193.15933	2.7
241.19485	4.3
259.20554	7.1
277.21652	91.2
284.25592	2.0
295.22714	23.8
330.29987	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55406	0.9
53.03941	1.9
55.01878	5.7
55.05273	1.5
55.05515	20.4
57.03441	6.8
57.07066	4.3
64.19578	0.9
66.92216	1.1
67.05504	34.0
69.03441	4.8
69.07069	17.5
69.90485	5.2
70.06573	1.8
71.04980	5.1
71.08636	6.0
72.29427	1.0
79.05499	23.8
81.03410	2.6
81.07058	42.9
83.04977	12.5
83.08617	10.3
85.06542	4.8
87.04465	6.3
88.07635	3.0
91.05474	13.3
93.06488	2.2
93.07044	34.3
95.04957	4.9
95.08602	25.9
97.06532	9.7
97.10195	4.9
98.98469	100.0
99.08115	5.1
100.11239	3.2
101.05991	1.8
105.07026	11.2
107.04936	1.5
107.08598	12.9
109.06518	3.2
109.10168	7.0
111.08080	4.2
116.99512	2.1
117.07021	5.5
119.08575	7.6
121.06488	1.4
121.10138	12.3
123.08072	2.5
123.11703	2.2
125.09626	4.7
129.07004	1.2
131.08556	4.8
133.10132	11.7
135.08089	2.4
135.11697	11.0
137.09630	2.0
137.13217	1.0
139.11191	16.3
143.08484	1.7
145.10112	1.4
147.07962	1.1
147.11699	6.4
149.09607	1.4
149.13257	13.7
151.11186	2.5
153.12807	1.4
157.10106	2.5
159.11696	10.5
161.09705	1.1
161.13266	4.7
161.14558	1.1
163.11194	1.8
163.14841	2.1
165.12752	1.8
171.11627	1.4
173.13297	2.2
174.99278	5.6
175.01540	1.4
175.11232	2.2
175.14818	2.5
176.98898	4.9
177.12723	5.5
179.14334	1.5
189.11275	2.4
193.12245	3.8
195.13809	26.0
207.13834	1.7
213.14792	1.4
221.15349	1.4
241.19505	1.6
249.22067	1.3
252.99747	1.7
259.20529	3.2
277.21646	27.1
295.22668	19.2
307.12430	1.4
330.17596	2.3
330.30096	10.0
330.33652	2.0
331.12891	1.5
331.18832	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
55.01878	7.1
55.05513	36.0
57.03441	17.5
57.07085	12.1
67.05508	56.6
69.03423	6.6
69.07070	28.1
70.05036	5.9
70.05431	4.3
70.06588	9.4
71.05001	6.2
71.08618	8.5
73.75623	3.1
75.67321	2.4
79.05498	40.6
81.03406	3.8
81.07063	66.7
83.04984	21.6
83.08622	21.8
85.06527	3.9
87.04477	27.1
88.07639	12.9
91.05500	22.1
93.07054	55.3
95.04967	10.1
95.08615	41.3
97.06534	14.4
97.10181	7.4
98.21467	3.1
98.98473	100.0
99.08083	5.1
100.11267	3.8
101.06025	29.9
102.09177	4.3
105.07045	20.5
107.04971	3.5
107.08588	21.4
109.10168	14.1
111.08073	8.5
117.07011	7.7
119.08623	14.4
121.10152	14.4
123.11755	3.9
125.09622	9.1
129.06984	3.0
131.08553	9.7
133.10150	19.8
135.08054	3.4
135.11719	22.9
137.09631	3.7
139.11194	27.7
145.10054	3.3
147.11714	10.6
149.13277	20.3
151.11200	6.7
153.12723	3.4
159.11661	13.5
161.13271	7.9
163.14989	3.2
165.12743	5.3
165.75763	2.3
173.13223	3.5
174.99242	5.4
175.11198	3.9
175.14783	4.5
176.98952	8.0
177.12744	10.9
179.14394	3.9
185.13109	3.4
189.11298	2.6
193.12167	4.6
195.13809	45.3
200.35533	2.6
204.19023	2.4
209.37311	2.5
213.14897	2.8
215.39984	2.6
241.19533	4.3
256.26401	17.7
259.20651	4.2
270.27905	6.1
277.21658	47.4
295.22809	29.7
330.30081	72.9
331.18839	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14645	1.6
53.03933	2.2
55.01865	2.8
55.05517	13.9
57.03429	6.5
57.07061	5.2
65.13779	1.7
65.32497	1.6
67.05510	43.6
69.07083	9.8
69.18689	3.3
69.19101	15.4
70.06586	2.5
71.04990	2.7
71.08624	4.1
72.16412	1.9
79.05495	16.6
79.49148	1.9
81.03406	3.2
81.07059	37.4
83.04964	6.9
83.08604	8.4
84.92487	1.9
85.06538	2.1
87.04474	13.8
88.07622	3.9
91.05491	13.9
93.07043	18.7
95.04974	4.1
95.08617	16.7
97.06537	4.5
97.10150	2.7
97.85270	1.8
98.98473	100.0
105.07024	7.4
107.08603	10.0
109.10165	27.4
111.08063	2.5
119.08540	4.5
121.10138	7.0
123.11695	3.7
125.09612	2.9
129.06923	2.1
131.08586	3.7
133.10135	5.0
133.65331	1.9
135.11708	4.7
137.09599	2.9
139.11157	8.1
147.11647	3.1
149.13251	7.8
151.11151	2.5
155.10680	11.7
159.11763	3.4
161.13188	3.5
173.11737	33.2
174.99216	6.8
175.99713	1.8
176.98924	5.9
177.12805	2.9
179.84267	1.7
193.12170	2.5
195.13802	13.6
199.14853	1.9
200.56035	1.8
211.13261	3.3
221.15491	2.6
259.20703	2.3
270.27966	4.1
277.21600	16.4
295.22672	8.8
309.12991	5.1
330.29968	16.2
330.33621	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	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
50.26010	0.2
55.05499	0.3
57.07079	6.2
58.06581	0.5
60.04519	0.2
61.96051	0.2
62.06085	0.6
66.69130	0.2
68.05019	0.2
69.07056	0.2
69.35670	0.5
69.36093	0.9
70.06596	11.2
71.08637	2.6
74.06076	1.2
85.10181	1.2
86.06064	0.3
88.07634	14.5
98.98475	1.8
102.09180	4.1
106.08674	7.9
140.50226	0.2
202.67757	0.2
263.56247	0.2
286.31009	0.7
288.78101	0.2
312.32617	5.8
313.33218	0.2
330.33655	100.0
331.33966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Dryopterin
Peak:m/z	Relative Intensity
50.01602	0.6
51.02383	1.0
53.03950	0.9
55.01888	1.0
55.05512	1.5
63.48378	0.5
64.33069	0.5
67.05514	5.2
69.07072	2.6
71.05000	1.0
71.52062	0.9
77.03943	2.2
79.05499	4.4
81.03422	0.7
81.07065	3.7
83.08625	0.7
86.09731	0.7
89.03940	4.8
91.05499	3.1
93.07053	2.7
95.04987	5.6
95.08608	4.2
97.06550	4.6
97.10184	0.8
98.98478	77.9
99.08073	0.6
100.98901	1.5
103.52982	0.5
105.03400	4.9
105.07041	1.8
107.04983	3.0
107.08602	2.1
109.02852	0.8
109.06541	0.5
109.10173	1.5
110.03650	2.3
116.05022	1.4
116.99498	1.2
117.03397	6.7
117.07027	1.2
119.04939	1.2
119.08591	1.3
121.10148	2.8
123.04443	100.0
124.92393	0.6
125.09645	0.6
128.04979	1.0
131.08551	1.5
133.02872	34.5
133.10187	1.5
134.03667	0.5
135.04431	15.7
135.11694	1.6
137.02362	3.8
139.11163	0.6
140.01089	0.6
143.08559	1.3
145.02853	11.3
145.10178	1.4
147.04405	1.1
147.11699	1.2
151.03925	19.3
152.04703	6.1
153.05481	1.6
155.08519	1.0
157.10184	0.7
159.08145	0.5
159.11691	1.1
161.02383	0.8
161.05981	0.9
163.03925	89.6
164.04324	0.7
171.11746	0.9
174.99268	3.5
175.03918	3.6
175.07535	1.5
176.98997	7.1
179.03323	1.4
181.05006	2.9
187.07640	0.7
190.05022	15.8
191.03418	22.4
199.07362	0.6
203.03433	1.1
204.04169	0.8
217.06093	0.7
218.04515	1.7
229.06142	0.6
229.12077	0.8
234.65176	0.5
241.12608	0.6
248.95964	0.5
252.99680	1.3
257.15506	0.7
267.11346	0.8
267.17438	2.5
276.06955	0.6
277.21692	2.7
285.12354	11.7
285.15320	1.0
285.18579	3.4
289.72717	0.6
295.06036	1.6
295.22635	0.6
313.07080	57.3
313.17929	2.3
331.08185	1.9
331.12698	2.8
331.19052	3.8
349.20300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0814
Annotation	Dryopterin
Peak:m/z	Relative Intensity
51.02372	0.9
51.63915	0.6
53.03942	1.5
55.01869	1.3
55.05508	1.3
62.21525	0.6
62.64692	0.6
67.05503	4.5
69.07065	2.0
69.72713	2.4
69.73122	1.1
70.07407	0.7
71.04960	0.9
76.00817	0.5
76.01334	0.6
77.03910	1.5
79.05491	3.9
81.07057	3.4
83.04964	0.9
83.08601	0.7
85.06528	1.3
89.03938	4.8
91.05491	2.7
93.07057	3.0
95.04967	5.0
95.08622	3.4
97.06561	3.7
97.10194	0.9
98.98476	61.6
100.98893	1.5
105.03417	4.7
105.07033	2.1
107.04972	3.2
107.08607	2.1
109.10146	2.1
110.03651	1.6
111.04436	0.8
116.99511	1.0
117.03394	8.8
117.07048	0.8
119.04939	0.7
119.08580	1.2
121.10162	2.2
123.04437	97.6
125.86285	0.6
131.08565	0.9
133.02869	40.2
133.10133	1.5
135.04422	16.6
135.11670	1.5
137.02374	3.2
145.02856	12.3
145.10091	1.6
147.04388	1.3
149.89311	0.6
151.03918	27.4
151.05153	1.3
152.04681	5.5
153.05528	1.2
161.02440	0.8
161.05949	0.8
163.03917	100.0
164.04305	0.7
173.05875	1.1
174.99248	2.5
175.03957	4.4
176.98936	6.3
181.05014	3.6
191.03407	16.5
191.05095	1.1
196.30673	0.6
203.03358	1.5
204.04216	1.0
221.06122	0.7
249.05298	0.9
253.05002	0.9
254.99596	0.7
259.20468	0.8
267.06488	0.9
277.21591	2.8
295.06134	2.0
295.13544	0.7
295.22760	0.9
313.07080	49.5
331.08200	2.3
331.11813	0.8
331.15454	1.8
331.18909	0.6
331.22400	0.8
331.26196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69024	0.4
55.05507	0.8
56.96567	0.4
57.07086	0.6
67.05516	2.0
69.07067	0.5
69.81618	2.0
71.22752	0.3
75.81564	0.4
79.01326	0.4
79.05515	0.8
81.07046	1.8
82.07366	0.4
91.05487	0.7
93.07050	1.1
95.04975	0.6
95.08623	1.2
97.06546	0.5
98.21411	0.6
98.98476	61.6
100.98893	1.3
105.07076	0.4
107.08576	0.4
109.10162	0.7
116.99536	1.1
119.08589	0.8
120.96588	0.3
121.10134	0.5
123.04500	0.4
123.08115	0.4
131.08549	0.5
138.15050	0.3
140.01103	1.0
145.10126	0.6
163.03877	0.4
173.11751	0.5
174.99268	3.1
176.98914	5.9
252.99733	0.9
254.99455	0.9
257.58774	0.4
278.22034	0.7
295.22687	0.5
296.23087	0.5
313.17789	1.4
331.18820	100.0
332.19016	0.9
340.73547	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1905
Annotation	7-Oxo-15-hydroxydehydroabietic acid
Peak:m/z	Relative Intensity
55.01883	0.8
55.05518	3.0
57.07096	0.7
59.04957	0.6
67.05506	6.5
69.03429	1.2
69.07069	4.9
77.03925	0.8
79.05507	4.1
79.57301	0.7
80.57110	0.6
81.07048	8.1
83.04988	1.6
83.08620	2.6
91.05492	5.9
93.07050	5.3
95.04991	1.8
95.08620	7.3
96.37236	0.8
97.06523	4.9
97.10195	2.4
98.98475	100.0
100.98908	2.5
105.03355	0.8
105.07039	8.0
107.04939	1.1
107.08603	4.5
109.06511	0.7
109.10170	5.6
110.70292	0.8
111.04443	0.8
111.08074	1.2
115.05406	0.7
116.07039	0.7
116.99525	0.9
117.07024	4.8
119.08611	6.4
121.06490	0.9
121.10153	2.9
123.04435	6.7
127.03899	0.8
128.06262	1.1
128.34294	0.7
129.07037	4.9
131.04990	0.6
131.08578	12.6
133.02878	2.6
133.06456	0.7
133.10110	3.6
135.04422	6.8
135.08080	1.6
135.11705	1.4
137.05989	0.9
140.01083	0.7
141.06995	1.1
143.08588	5.2
145.06470	1.7
145.10139	6.1
147.08051	0.8
147.11702	4.8
149.06007	1.0
151.03894	2.4
151.07535	1.2
155.08548	4.0
155.73503	0.8
157.06532	1.3
157.10159	5.1
159.08128	1.1
159.11736	2.3
161.06001	2.8
161.09663	1.7
161.13293	5.4
163.03946	5.9
163.07498	0.7
169.10164	3.9
171.08151	1.0
171.11659	5.9
173.13289	3.0
174.99274	4.8
175.07544	7.9
175.14807	1.6
176.98953	10.7
179.10672	0.7
180.71068	0.6
181.10175	1.6
183.08209	1.0
183.11713	4.8
185.09628	1.1
185.13274	1.3
187.07591	4.2
187.11259	1.1
189.09120	2.0
189.12772	0.7
191.03352	1.3
193.10196	1.6
197.09538	0.9
197.13298	2.5
199.07541	1.0
199.14861	0.9
201.09071	3.8
203.10713	2.7
205.12122	0.7
207.11684	2.1
209.13213	1.2
211.11218	10.3
211.14810	2.1
213.16432	1.8
215.10680	1.7
217.12138	1.1
219.11707	1.0
221.13301	1.2
223.14864	0.8
225.12804	0.9
229.12253	3.9
239.14320	1.4
239.17963	10.2
241.19568	0.9
249.16402	4.8
249.22173	0.8
252.99788	2.5
254.99475	0.9
257.15384	9.2
257.19153	1.6
267.17459	32.5
277.21609	1.1
285.14999	3.6
285.18494	48.7
295.16949	5.3
295.22324	1.0
299.05655	1.0
303.15881	3.1
313.07220	3.7
313.14627	1.3
313.17990	24.0
313.21664	1.2
315.05157	0.7
331.04675	0.9
331.08206	2.7
331.15561	1.9
331.19037	27.5
349.20163	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	331.1905
Annotation	Spiramilactone B
Peak:m/z	Relative Intensity
53.03954	0.8
55.05507	2.8
58.44971	0.6
67.05511	4.7
69.07066	3.7
70.06571	0.7
71.52644	0.8
72.12642	0.6
79.05506	4.4
81.07060	7.8
83.04978	0.9
83.08625	2.4
90.65885	0.6
91.05489	5.2
93.03426	1.2
93.07037	5.1
95.04965	1.3
95.08607	8.4
97.06555	5.1
97.10164	2.3
98.98469	100.0
100.98880	2.3
105.07030	6.6
107.04978	1.0
107.08611	3.1
109.06522	1.0
109.10162	4.3
111.04456	1.5
111.08088	1.3
116.99499	2.2
117.07030	4.5
119.04907	0.7
119.08575	4.9
120.08117	0.6
120.80053	0.6
121.06496	1.0
121.10144	2.6
123.04420	3.6
123.08121	0.7
123.11678	1.0
128.06227	0.7
129.06995	5.6
131.08556	12.4
133.02841	1.2
133.06557	1.0
133.10133	3.1
135.04398	7.0
135.08035	1.1
135.11722	0.8
137.05978	1.8
140.01143	0.8
143.08557	5.5
145.06473	1.2
145.10121	4.2
147.08025	0.9
147.11684	4.7
149.05984	1.5
151.03951	1.1
153.09077	0.8
155.08531	3.5
156.09320	0.9
157.10159	4.9
159.08058	1.2
159.11708	3.8
161.05983	2.8
161.09579	0.9
161.13228	4.0
163.03891	3.2
163.07529	0.9
163.14810	0.7
169.10141	2.7
171.08099	0.7
171.11676	5.0
173.06055	1.2
173.13271	3.4
174.99236	4.2
175.07516	7.9
175.14822	1.8
176.98938	9.1
181.10130	1.8
183.08049	1.3
183.11687	5.2
185.09634	1.3
185.13210	1.0
187.07515	3.7
187.11131	1.1
189.09091	2.2
193.10205	1.7
197.09689	0.9
197.13287	2.4
199.07623	1.1
199.11166	0.9
201.09146	3.6
203.10666	2.6
205.12250	0.8
207.11740	1.2
209.13245	1.2
210.11934	0.7
211.11163	9.2
211.14757	2.2
213.16357	2.1
215.10773	1.1
221.13200	1.6
225.12839	1.2
229.12137	3.2
239.14233	1.6
239.17943	10.2
243.44350	0.6
249.16353	4.7
252.99838	1.7
254.99449	0.8
255.29427	0.7
257.15375	10.7
257.19119	1.3
267.17444	32.5
269.18900	0.8
285.14975	4.4
285.18460	49.4
295.16995	5.1
303.15948	2.8
313.06937	1.8
313.17969	23.5
331.08179	1.4
331.15439	2.5
331.19016	27.9
331.22342	1.1
349.20099	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2242
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
71.01781	0.7
92.70315	0.4
98.97877	0.6
98.98473	11.0
112.57516	0.4
174.99205	0.7
176.98920	1.0
252.99710	0.4
256.40625	0.5
262.24493	0.4
265.05930	0.4
307.20447	0.4
331.22440	100.0
332.22897	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.4
57.03428	5.2
57.07077	76.9
67.05501	17.3
69.07073	11.4
70.03265	5.1
70.06597	8.7
71.06932	2.4
71.08631	50.8
75.04495	2.0
81.07054	22.6
83.08620	20.0
85.10181	25.0
88.07631	10.2
89.07960	2.5
90.29781	1.2
95.08610	33.8
97.10172	10.4
98.21442	1.7
98.98471	14.7
99.11712	1.7
102.09168	3.3
106.08665	4.9
107.08991	2.1
109.10151	16.2
111.11713	2.4
112.98408	1.2
123.11717	8.5
125.13268	2.0
137.13272	4.0
151.14816	1.4
165.16344	1.7
176.98935	1.8
221.22710	1.8
239.23698	21.7
257.24768	3.6
313.23651	2.3
313.27380	56.6
313.32755	7.0
331.34006	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	3-Palmitoyl-sn-glycerol
Peak:m/z	Relative Intensity
55.05522	12.7
57.03455	8.3
57.07083	100.0
67.05183	2.1
67.05511	25.2
69.07069	18.3
69.31345	3.9
69.31760	6.4
70.06581	2.8
70.74087	1.2
71.06913	1.7
71.08640	70.2
72.11159	1.3
72.34911	1.2
74.95731	1.3
75.04471	3.1
76.04308	1.5
79.05458	1.7
81.07068	39.2
83.08155	1.7
83.08624	26.3
85.06524	1.4
85.10191	40.4
88.07617	4.7
89.06014	2.1
93.07046	2.4
95.08618	58.5
97.10180	14.4
98.98479	61.9
99.08101	1.7
99.11731	3.1
100.98837	1.1
103.07594	1.9
106.08663	3.1
109.10162	25.5
111.11716	3.6
113.13297	1.4
116.99521	1.9
123.08142	1.5
123.11740	12.5
125.13273	4.2
131.98665	1.3
137.13301	6.8
151.14789	3.6
165.16397	2.2
166.54378	1.3
174.99269	3.4
176.98878	6.8
221.22588	3.4
239.23718	29.5
257.24783	8.7
298.27515	1.6
313.27399	83.9
313.33148	3.4
331.34012	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.0
57.03429	7.3
57.07084	91.8
58.07429	1.9
67.05518	21.5
69.07078	16.8
69.44157	1.4
69.78475	4.2
69.78892	4.8
70.06601	10.4
70.75327	1.6
71.08640	56.2
73.79424	2.1
75.04494	3.0
79.05505	2.9
81.07064	28.5
83.08218	2.1
83.08635	21.0
85.10191	30.9
85.23446	1.7
86.66000	1.7
88.07652	12.9
89.06056	2.2
89.07986	3.6
91.05527	1.6
92.54031	1.7
92.78469	1.7
95.08615	46.4
97.10185	11.2
98.20702	1.7
98.98480	59.7
98.99126	3.2
99.11746	2.9
100.98853	2.4
102.09164	1.9
106.08672	7.5
109.10172	19.3
110.55022	1.7
111.11698	3.6
123.11740	11.3
125.13244	3.0
137.13260	5.5
151.14838	2.1
176.98944	6.0
221.22653	1.9
239.23724	25.7
257.24783	6.8
271.61896	1.6
313.27390	66.2
313.33096	4.5
331.18869	3.0
331.34024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39290	0.6
55.05508	0.9
57.03431	0.6
68.02537	0.7
69.03419	1.1
69.07069	1.8
71.51089	0.9
72.08160	10.7
81.03431	0.8
84.04510	7.1
84.08150	1.1
84.96203	0.7
85.02895	2.0
86.09713	34.8
90.05547	5.3
97.02938	0.8
98.98475	17.8
102.05540	4.2
104.96387	0.7
108.08145	5.8
112.19221	0.6
115.05413	0.6
117.05789	0.8
117.07030	0.7
118.06575	2.3
119.07327	2.6
122.46667	0.7
123.05627	0.6
124.07607	1.3
124.99110	0.9
125.00018	15.8
127.02462	0.7
127.03922	1.0
129.06616	0.8
130.05026	0.9
132.10214	0.8
132.95876	4.6
134.08687	1.3
134.09668	21.9
134.10692	1.4
135.04358	0.9
137.05945	1.3
144.08090	5.3
145.04921	0.7
145.08876	2.9
146.97411	1.6
152.07037	4.8
155.08130	1.2
160.11234	42.7
162.96999	0.8
170.08147	1.3
170.11761	0.8
172.08611	1.0
173.09232	1.0
176.98940	1.1
178.12285	100.0
179.12608	1.0
185.16507	7.7
192.97939	1.4
197.12854	4.5
201.08720	1.9
202.09273	1.0
202.96368	2.7
213.16019	3.6
215.13930	6.1
225.12337	2.7
243.13474	3.8
258.08899	8.3
260.09814	2.2
262.98459	4.4
269.08221	0.8
314.12155	2.0
315.08710	1.0
332.08575	0.9
332.12735	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	332.1342
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03928	0.8
57.03430	1.7
61.02920	2.4
65.03931	1.3
67.05518	2.4
69.03429	6.5
71.05003	0.7
71.20665	0.6
73.02899	2.8
75.31429	0.5
77.47131	0.5
79.05490	0.7
81.03404	2.1
81.07066	1.3
85.02908	9.5
87.04468	1.4
93.05765	0.7
96.08158	0.7
97.02878	3.8
99.04491	0.5
104.10726	1.6
106.06549	4.7
108.08119	100.0
109.02886	0.9
123.06824	3.9
124.07595	15.1
127.03918	2.4
134.06020	10.4
136.07578	14.8
152.07068	72.4
154.08617	1.8
161.05533	1.7
170.08125	9.3
170.09430	0.9
170.56140	0.7
204.62813	0.6
242.08267	1.4
251.08609	0.9
283.40063	0.6
314.12335	39.5
321.10410	2.3
332.13412	67.9
333.13721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05505	1.9
56.05025	1.7
56.78391	0.6
67.05502	3.0
68.05035	0.7
69.03439	2.6
69.07051	1.3
70.06606	6.8
70.55714	1.5
70.56040	0.8
71.04988	2.5
75.81312	0.6
79.05492	6.3
79.50690	0.7
81.03406	1.2
81.07053	4.9
82.06581	1.3
83.04562	0.7
83.04985	4.0
83.08604	1.1
84.04484	2.3
86.06074	25.8
87.04474	23.7
91.05486	1.6
93.07043	7.8
95.04981	1.5
95.08602	2.9
97.06557	3.2
97.10191	0.8
98.06062	65.7
98.98466	1.0
100.07574	1.1
104.07114	5.3
105.07046	1.0
106.08013	0.7
107.04928	0.7
107.08589	2.0
109.10176	0.8
109.38697	0.6
112.07613	2.0
119.08639	0.7
121.10153	9.0
123.08131	0.8
124.07563	2.1
126.05518	15.3
127.27312	0.7
128.07027	1.2
131.08563	2.9
138.12749	1.6
139.11183	2.2
140.07082	1.3
142.08646	4.6
149.09637	16.2
154.08647	4.8
166.12338	5.7
167.10710	2.0
173.12944	0.8
184.13345	8.3
202.14377	2.0
206.15454	4.2
210.14922	1.1
211.13301	2.4
213.95746	0.7
224.16444	7.6
229.21471	0.8
234.14871	3.7
252.15956	29.6
266.72867	0.7
270.16928	2.5
278.17734	1.2
288.18063	100.0
289.18588	0.9
314.19638	29.9
332.20682	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.8
55.05506	2.4
56.05028	2.4
62.24049	0.6
67.05504	3.8
68.29964	0.5
69.03425	2.7
69.07070	1.6
70.06592	1.9
70.55887	1.8
71.04990	1.7
79.05485	4.3
80.05002	0.8
81.03419	4.2
81.07067	7.3
82.06579	1.1
83.04982	2.0
83.08621	2.7
84.04510	4.0
84.08143	0.9
85.02921	0.7
85.06523	1.3
86.06075	20.6
87.04472	17.1
91.05481	2.5
93.07066	3.5
95.04958	1.4
95.08615	3.8
96.08150	2.0
97.06551	3.2
97.10152	1.0
98.05513	0.7
98.06069	7.3
102.05558	1.7
104.07113	17.1
105.07032	2.9
107.08582	1.6
109.10135	0.9
111.08102	1.0
112.07608	5.7
119.08573	2.0
121.10182	3.2
123.11704	1.2
124.07607	4.1
126.05524	1.3
126.09163	0.7
131.08586	2.4
133.10098	1.8
135.08075	0.7
135.11722	0.9
136.07559	0.7
138.12785	1.0
140.07069	1.4
142.08646	2.6
147.08064	0.7
147.11699	2.6
149.09631	9.2
157.10143	1.2
158.08138	4.3
159.11726	0.7
165.12750	0.8
166.12297	1.5
175.11185	1.5
177.12813	0.6
182.15401	1.5
184.13351	1.9
193.12213	4.1
194.15448	0.7
195.13780	1.5
206.15469	0.7
207.57230	0.6
210.14931	4.9
211.13327	10.4
212.16489	0.8
213.14838	0.9
228.16002	1.4
234.15033	0.8
250.17940	1.3
252.15981	2.5
260.16513	2.1
268.19003	1.2
270.16971	7.3
278.17554	3.0
288.18082	5.1
296.18628	3.7
314.19629	100.0
315.20129	0.7
332.20630	3.4
332.24307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74542	0.4
70.06603	0.7
70.71658	0.4
71.50990	0.9
74.39984	0.5
84.04529	0.8
84.08118	0.6
85.02894	0.8
86.09698	1.7
87.10022	0.8
91.05489	0.6
95.04946	0.6
98.97540	0.6
98.98472	10.8
100.98893	1.0
101.07196	0.5
107.04964	0.7
107.08604	0.6
131.08607	0.6
135.04375	0.8
135.07941	0.6
137.05920	0.5
139.03696	0.5
151.03906	0.6
153.05432	0.7
153.09071	0.7
161.07147	0.6
163.03856	0.7
170.05923	0.5
171.10060	2.8
176.98882	0.7
187.14540	0.6
188.07022	0.5
188.14720	0.8
199.08849	0.5
227.08128	0.6
256.08414	1.0
297.08804	0.7
302.20084	0.5
308.98517	0.6
315.09717	4.8
333.15195	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01618	0.4
51.68344	0.4
52.19682	0.4
54.54044	0.4
55.05499	0.5
57.03423	0.8
66.44820	0.4
67.05502	2.3
69.07061	1.3
69.75052	2.3
71.19044	0.4
79.05509	2.2
81.03402	0.6
81.07043	2.3
91.05482	2.2
93.07041	2.1
95.08591	1.9
97.06536	0.6
98.21552	0.4
98.98471	4.0
105.07048	3.3
107.08592	1.8
109.10152	0.6
117.07036	0.6
119.08604	2.0
121.10144	0.9
122.03339	0.6
123.11679	0.8
129.06998	1.0
131.08592	0.9
133.10155	1.9
135.11716	0.7
143.08575	0.6
145.10167	1.0
147.11691	1.1
148.32726	0.4
149.13306	0.6
159.11664	0.9
161.13269	0.6
176.98973	0.5
241.19553	0.9
253.03595	0.5
259.20599	0.8
264.13361	2.6
315.19327	1.8
333.20395	100.0
333.23959	5.2
334.20535	0.7
351.20355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67988	0.3
60.04573	0.3
60.92953	0.4
63.40947	0.3
63.47180	0.3
67.05499	0.5
67.11142	0.4
69.07038	0.5
69.99656	1.1
70.00043	0.9
71.25938	0.4
78.17219	0.3
79.05501	0.5
81.07065	0.5
93.07049	0.6
95.21569	0.4
95.24280	0.5
97.06599	0.4
98.21473	0.4
98.98474	9.6
100.98887	0.7
105.07043	0.5
119.08579	0.6
121.10056	0.4
174.24792	0.4
176.98891	1.4
217.71016	0.4
218.54425	0.4
235.13057	0.9
243.44049	0.4
251.12779	0.5
315.19336	0.7
333.20398	100.0
333.75882	0.4
334.20746	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03350	0.5
57.07062	0.5
66.27121	0.5
67.05497	0.5
68.75588	0.4
69.61528	0.4
70.80814	1.3
98.98470	2.7
103.67784	0.5
105.07031	1.0
131.01836	0.5
133.10109	0.5
201.72543	0.5
208.07727	0.5
208.43810	0.6
235.12878	0.5
251.12630	1.1
333.20383	100.0
334.20667	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72518	0.5
54.27893	0.5
67.05502	0.7
70.77066	1.6
70.77419	0.5
79.05462	0.9
81.07038	1.0
82.04760	0.5
91.05492	1.0
95.08598	1.3
98.98457	2.4
105.07011	1.9
107.08569	0.7
119.08575	0.6
133.10130	1.7
159.11688	0.8
173.13274	0.6
191.63834	0.5
226.26352	0.5
235.13109	1.0
251.12462	1.2
273.18564	1.3
300.19858	0.5
333.20367	100.0
334.20636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.4
57.03426	0.6
67.05499	2.3
69.07064	1.7
70.96944	0.5
71.53223	1.3
79.05500	3.2
79.64101	0.5
81.07047	2.3
84.47021	0.5
88.07597	0.9
91.05481	2.8
93.07056	2.7
95.08606	1.7
97.06530	0.7
98.98465	8.2
105.07028	4.8
107.08606	3.7
109.06471	0.7
109.10196	1.7
117.07021	1.5
119.08585	2.7
121.10130	1.0
125.09618	0.9
129.05458	0.7
131.08545	1.3
133.10092	1.7
135.08031	1.6
135.11659	1.0
145.10175	1.5
147.11716	1.6
149.09644	0.7
149.13188	0.8
151.07581	0.8
153.09093	1.5
159.11707	0.7
171.11734	1.2
173.13361	1.1
176.98897	1.4
188.92538	0.6
215.59094	0.6
219.96962	0.6
227.11337	0.9
241.19545	1.3
245.12154	0.7
259.20612	0.8
274.06833	0.6
280.14938	0.5
315.19287	1.7
333.20392	100.0
333.24088	5.7
333.31339	1.7
334.20673	1.0
334.29520	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	333.2061
Annotation	Gibberellin A14-aldehyde
Peak:m/z	Relative Intensity
51.92500	1.8
55.01853	2.0
55.05499	5.6
67.05505	11.0
69.03428	3.0
69.07065	6.2
69.99754	4.7
70.00152	3.2
70.06592	3.8
71.04967	2.4
73.02927	2.0
79.05499	12.5
81.03413	6.3
81.07056	21.3
83.04971	7.3
83.08599	3.8
85.06548	2.1
89.04832	1.8
91.05489	13.4
93.07054	17.0
95.04966	6.6
95.08607	18.3
97.06547	13.6
98.20856	2.7
98.98473	23.1
100.11236	2.0
105.07030	19.2
106.41106	1.8
107.08609	26.6
109.02886	4.4
109.06506	6.3
109.10137	10.1
111.08080	4.7
115.05443	4.1
117.07030	8.2
119.08568	16.9
120.08122	2.2
121.06474	4.8
121.10133	13.9
123.08084	4.6
125.06006	2.0
129.07011	4.9
131.08582	16.3
133.10115	14.1
135.08049	7.3
135.11685	3.1
137.05963	1.9
137.09628	3.8
140.07050	1.7
141.06976	2.6
142.07773	2.2
143.08604	12.9
145.10130	20.2
147.08057	4.8
147.11682	8.9
149.09642	2.2
151.11110	2.2
155.08575	8.6
157.10158	15.6
159.08080	5.4
159.11684	15.3
161.09636	5.8
163.11182	2.6
165.09125	2.5
167.08568	4.5
169.10120	8.0
170.10881	2.0
171.08130	3.9
171.11714	10.8
173.09598	10.1
173.13272	10.5
175.07542	2.0
175.11185	9.4
181.10132	7.3
183.11769	10.6
185.09608	2.7
185.13243	13.9
187.11188	6.6
187.14894	2.2
189.09061	12.7
189.12781	5.3
191.10686	2.8
193.12265	2.5
195.11668	5.4
197.13255	6.0
198.10408	2.5
199.11159	2.4
199.14838	5.0
201.12828	5.9
203.10687	7.0
205.12305	2.8
208.12480	2.2
209.13272	5.3
210.14177	1.8
211.11319	2.4
211.14832	7.3
213.12811	10.4
213.16443	5.8
217.12262	5.9
219.13792	4.9
223.14864	4.6
225.12686	2.3
225.16365	6.4
225.94411	1.6
227.14380	5.5
227.17935	10.6
229.09821	2.1
231.13817	13.4
237.12753	3.1
239.14325	7.3
239.17914	4.3
241.12270	5.5
241.15843	3.3
241.19514	19.5
245.15494	2.5
251.17987	5.8
253.15962	3.5
255.13889	6.0
255.17409	5.3
257.15451	7.3
257.19214	2.2
259.13345	2.4
267.17560	3.3
269.15451	5.3
269.19022	25.7
271.16974	20.0
273.14874	13.1
273.18527	5.8
279.17526	4.3
285.18622	25.0
287.16849	2.7
287.20023	19.1
297.18481	40.0
297.21625	3.2
301.11847	2.2
303.19696	2.6
315.15848	4.0
315.19568	81.0
333.14014	4.2
333.20642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2424
Annotation	Sarcophytonolide A
Peak:m/z	Relative Intensity
55.05508	4.4
57.03404	0.8
57.07072	1.2
59.32917	0.7
60.76825	0.7
67.05515	4.4
69.07093	4.7
71.53437	0.8
75.43029	0.7
79.05497	3.5
79.57578	0.7
81.07055	8.3
83.08627	3.2
85.81953	0.9
91.05473	3.7
93.07047	10.2
95.08611	16.6
97.06523	2.2
98.98476	5.2
105.07040	5.0
107.08603	8.8
109.10166	6.6
111.08098	1.7
111.11716	0.8
117.06958	1.3
119.08598	5.6
121.06499	2.2
121.10164	3.9
123.11713	9.9
129.07059	1.0
131.08577	2.1
132.35574	0.7
133.10121	3.5
135.08063	2.8
135.11690	2.5
137.09572	0.7
137.13309	0.8
140.26563	0.8
143.08577	3.2
145.10106	6.4
147.08037	0.9
147.11678	3.2
149.09604	1.5
149.13303	1.3
157.10120	4.4
159.11694	5.1
161.09659	1.1
161.13251	3.4
163.14859	1.0
165.12708	1.0
167.10698	3.4
169.10155	6.2
171.11702	10.5
173.13249	2.4
175.11240	1.3
175.14810	2.2
177.12762	1.5
183.11726	1.9
185.13263	5.8
187.11151	1.0
187.14752	1.0
189.12759	2.7
197.13226	1.4
199.14871	2.2
201.16393	1.9
203.14352	6.3
205.12210	1.9
213.12762	1.7
213.16246	1.1
217.12219	0.8
225.16443	0.9
227.14397	0.8
227.20068	1.4
231.13863	1.0
231.21060	1.7
239.17961	6.1
241.19551	12.2
245.15323	1.5
255.21095	1.5
257.19019	1.4
259.17548	1.1
259.20599	21.0
273.22110	0.9
283.20731	3.3
301.21579	7.0
315.23145	3.4
333.24243	100.0
334.24609	1.7
338.42056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2425
Annotation	CHEBI:68863
Peak:m/z	Relative Intensity
51.02362	0.8
53.03740	0.6
53.03952	5.0
55.01873	5.4
55.05515	18.3
57.03153	1.2
57.03442	23.4
57.07079	1.5
57.94036	0.8
65.03934	5.6
67.05509	100.0
69.06726	1.2
69.07069	12.7
71.27283	0.8
71.27620	1.0
73.02921	2.1
77.03903	1.4
79.05499	56.8
81.03432	0.9
81.07063	71.0
83.04983	2.0
83.08625	4.5
91.05488	32.6
93.07049	54.1
95.04993	4.4
95.08612	53.0
95.09245	0.8
97.06536	1.1
97.10191	0.8
98.98485	3.6
103.03903	1.8
105.04535	2.3
105.07040	17.1
107.04974	1.0
107.08604	25.9
109.06557	1.7
109.10157	19.8
117.05506	0.7
117.07029	2.9
119.07794	1.3
119.08590	13.3
119.09374	1.3
121.06441	0.9
121.10146	16.6
123.08060	1.2
123.11694	5.8
129.05493	23.9
129.06987	1.7
131.08591	4.2
133.10138	12.3
135.08058	1.3
135.11702	11.9
137.09669	1.1
143.08585	1.2
145.10121	4.1
147.11671	6.5
149.09636	1.4
149.13287	5.1
151.09923	0.7
151.11189	2.2
157.10098	2.4
159.11708	3.6
161.13277	3.3
171.11671	1.0
173.13268	1.7
175.14854	2.4
185.13293	0.8
215.17964	1.5
217.19557	1.7
231.21078	1.2
241.19518	2.7
258.25891	0.9
259.20596	1.3
301.05344	0.7
333.24249	88.6
334.24524	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	334.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	4.2
57.07078	3.9
58.06600	5.7
60.04523	1.8
64.84454	0.3
69.24901	1.3
69.25328	1.6
70.06593	0.4
71.08626	2.5
72.08161	2.0
74.06084	4.7
75.04489	0.6
81.23707	0.3
85.10204	0.5
86.06075	4.2
88.07634	29.2
89.06013	0.5
98.20763	0.6
100.07609	0.9
102.09183	0.4
104.07103	4.3
104.78757	0.3
118.08662	0.9
132.10217	8.1
149.94540	0.4
153.28360	0.3
162.11247	2.3
166.10764	2.0
173.93869	0.3
179.84378	0.5
209.28035	0.3
210.22141	0.6
228.23274	0.4
242.24785	29.8
243.25198	0.5
254.24785	0.9
279.31403	0.3
286.27420	10.0
316.28378	1.4
322.00803	0.4
334.21341	2.7
334.29510	100.0
335.29907	2.1
339.18384	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15670	0.9
65.03929	3.5
67.05502	4.0
67.62244	0.8
69.07071	100.0
70.55850	2.6
80.05028	1.2
81.03423	0.9
81.07067	5.7
91.05475	1.1
92.04998	2.5
94.06557	3.6
97.06535	16.2
97.58635	0.8
104.04984	1.1
108.04491	1.1
109.02890	1.1
109.06516	2.0
113.07155	0.8
119.03680	1.2
120.04515	2.0
121.06464	1.2
122.06033	8.9
124.07578	2.2
125.05997	1.3
126.09148	1.0
131.07263	1.3
137.05980	3.2
138.05484	5.9
140.07080	7.3
144.08066	1.6
145.08870	4.0
145.10001	1.9
146.09642	3.0
147.06790	1.9
148.03944	5.4
150.05507	85.1
157.08873	2.3
158.09665	1.4
160.07590	2.0
160.11160	1.3
161.08360	4.3
162.09186	3.1
164.03406	1.2
165.04181	1.3
166.05006	28.7
168.06589	1.8
172.07584	1.5
172.11224	4.0
173.08351	2.6
173.09679	1.2
174.09164	2.2
174.12796	6.4
176.03424	8.6
178.05002	2.3
182.04449	1.5
185.08331	2.2
186.07648	2.1
186.09190	1.1
188.07088	1.0
190.12241	3.7
192.03052	1.3
194.04488	4.8
198.07822	2.0
200.10812	7.3
202.12256	8.0
213.10284	1.1
216.10237	4.3
217.13269	0.9
218.08444	1.5
218.11765	27.7
226.08656	1.3
228.10207	19.8
229.13400	1.7
234.11264	3.8
243.11267	2.0
244.09743	2.3
245.12794	1.8
246.11255	25.4
257.09280	1.5
269.09323	1.0
271.10715	5.3
272.09079	5.2
273.12335	3.2
274.10767	3.4
287.10321	8.0
289.11816	12.7
290.10324	1.8
299.10184	8.3
317.11322	32.4
335.12381	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
65.03934	4.1
67.05520	5.8
69.07073	100.0
70.06589	1.6
70.07454	1.0
70.90624	2.3
79.05494	1.8
80.05046	1.3
81.07054	4.5
86.06060	2.9
87.04478	1.2
88.04831	1.0
91.04253	1.1
91.05490	1.9
92.05005	4.4
93.07055	1.6
94.06572	3.2
95.04937	1.7
97.06545	19.8
98.06069	4.1
99.06389	1.2
102.94971	1.0
105.06961	1.1
109.10182	1.4
119.08524	1.1
120.04456	1.9
121.05230	1.8
122.06038	11.0
124.07594	1.6
125.05994	1.4
127.05835	1.1
133.10086	1.2
137.05994	2.2
138.05496	3.5
140.07066	7.1
141.07860	1.0
142.08694	1.9
144.08107	2.0
145.10132	1.2
145.33266	1.0
146.09682	2.6
148.03931	4.0
150.05519	95.1
151.11143	1.2
152.11545	1.1
157.08736	1.2
161.08350	2.6
162.09200	2.4
164.03331	1.1
166.05023	27.7
168.06537	2.1
169.14218	1.4
172.07631	1.1
172.11267	3.7
173.08322	1.7
174.09193	2.4
174.12761	3.9
176.03464	10.2
178.05042	1.4
182.04675	1.2
185.08401	1.4
186.07700	1.6
188.10791	1.6
189.67619	1.1
190.08566	1.0
190.12289	2.9
194.04520	5.0
197.24232	1.0
200.10767	3.8
202.12291	4.3
216.10210	4.0
218.11763	17.4
228.10251	9.9
234.11278	1.9
237.16876	3.7
243.11290	1.6
244.09763	1.8
246.11224	13.1
246.13661	1.2
255.11293	1.0
256.09662	1.1
271.10812	3.5
272.09213	2.1
272.18619	2.7
273.12518	2.4
273.18970	14.9
274.10779	2.0
287.10266	7.1
289.11899	5.2
299.10312	3.5
317.11356	14.4
317.21420	5.7
318.10001	1.0
335.12296	12.1
335.22507	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.05500	1.0
65.03941	3.3
67.05494	5.8
69.03430	1.7
69.07072	94.9
70.18076	3.0
79.05484	2.3
80.05030	1.2
81.03406	1.2
81.07054	5.3
85.02901	1.3
86.06059	1.0
86.09722	1.1
87.04475	1.4
91.05470	2.7
92.04998	3.8
93.05766	1.6
93.07042	2.1
94.06579	4.4
95.04958	1.0
95.08591	1.4
97.06541	16.4
98.06068	1.2
99.06382	0.8
105.07007	1.8
109.02957	0.8
109.06520	1.8
109.10167	0.9
119.08537	0.9
121.06509	0.9
121.10154	1.1
122.06043	10.2
124.07583	2.5
125.06002	2.2
126.05536	1.0
129.07004	1.0
130.06511	1.2
131.08521	1.5
132.04445	0.7
133.10088	1.3
134.06093	0.8
135.08058	1.5
135.11620	0.8
137.05978	2.7
138.05504	4.2
140.07071	10.3
142.08679	1.5
143.08508	1.4
144.08131	1.9
145.08894	2.1
145.10025	1.8
146.09657	2.1
148.03960	2.4
149.09595	1.1
150.05508	100.0
157.08905	1.5
157.10042	1.5
159.10471	1.0
159.11739	0.9
159.98740	0.8
160.07614	1.1
161.08374	3.4
162.09138	2.8
164.03461	1.6
166.05022	32.4
168.06586	2.0
172.07536	1.4
172.11244	3.9
173.08319	2.0
173.09698	1.3
173.13187	1.0
174.09137	1.8
174.12727	3.9
176.03432	8.0
176.94716	0.9
178.05028	3.0
185.08308	1.6
186.07628	2.1
186.09149	1.1
188.10762	1.4
190.08556	1.4
190.12274	4.0
191.14299	1.9
194.04558	3.1
198.07822	0.9
198.09370	0.9
200.10782	4.7
202.12274	4.8
208.06293	0.8
215.90440	0.8
216.10248	3.6
218.11766	15.3
226.08722	0.9
228.10222	8.2
229.13425	1.1
234.04895	0.9
234.11182	3.0
237.16852	1.0
241.09726	0.7
243.11275	0.8
244.09770	1.3
246.11258	14.6
257.09116	1.2
271.10797	4.4
272.09131	3.0
272.19147	0.7
273.12384	2.3
273.18851	5.2
274.10657	1.8
275.20169	1.2
281.19037	0.8
287.10260	11.3
289.11926	5.3
290.10181	1.8
299.10199	4.2
317.11328	16.2
317.21436	3.1
318.10019	0.7
335.12405	14.6
335.18951	2.2
335.22437	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	335.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
57.03439	22.0
57.07079	98.8
60.04516	2.0
61.02918	5.3
61.28028	1.4
67.05499	2.8
69.03139	1.3
69.03432	12.3
69.07081	7.4
70.06582	5.5
70.18428	1.4
71.01360	25.4
71.51717	2.4
72.08145	3.0
72.65305	1.4
73.02921	35.9
75.04478	3.3
81.03442	2.9
83.01342	3.8
83.05000	3.0
85.02910	67.9
85.06547	100.0
86.09699	6.0
87.00816	1.6
95.01338	9.1
95.04974	2.3
95.08601	1.9
97.02900	24.6
97.06545	2.3
99.00820	11.9
99.04448	6.3
101.02377	10.2
103.03945	6.9
103.07586	16.3
109.02861	3.0
109.10113	2.0
113.02372	35.0
115.27991	1.6
116.07104	1.8
117.01843	2.7
120.80193	1.3
127.03916	5.5
131.03407	16.6
139.03836	1.7
141.01825	19.2
145.04991	4.3
145.10170	1.5
159.02911	10.4
159.06525	5.0
159.10184	79.2
169.04933	6.0
177.11189	1.5
187.06024	3.5
187.09750	1.5
197.04427	4.4
201.11234	15.9
215.05489	12.9
219.08575	1.9
271.10733	2.0
287.10220	3.0
289.11752	2.4
291.16306	1.9
299.10818	5.6
317.06497	1.5
317.11642	6.3
320.66159	1.5
335.06870	1.7
335.13293	25.6
335.19485	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	335.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
57.03441	4.1
59.42937	1.8
61.02926	2.3
66.06879	1.9
67.75961	1.9
69.03430	17.8
69.07094	4.1
70.06613	2.6
71.04994	5.9
81.03420	25.6
81.07055	2.6
83.71631	1.7
84.04506	7.9
85.02914	59.1
86.09735	4.4
88.07629	2.6
91.05478	2.0
97.02882	4.6
99.04462	25.9
102.05535	5.4
103.03951	53.8
109.02886	21.8
119.07270	2.0
125.07163	2.0
127.03931	100.0
130.04988	4.9
137.05930	2.2
142.08641	2.2
145.04974	11.5
148.05998	2.5
173.08020	2.1
184.07622	2.0
187.06041	6.8
187.83748	1.9
225.10324	2.3
253.07109	3.8
271.10715	2.7
272.09219	2.3
287.10275	2.5
289.11807	5.6
299.10394	3.9
317.11316	16.2
335.12384	16.5
335.19580	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	335.2204
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
55.05516	2.1
57.03433	0.8
67.05516	3.6
69.07079	2.7
71.52486	0.4
71.95303	0.3
76.81016	0.3
79.05510	2.7
81.07060	6.1
83.04968	0.3
83.08623	1.4
85.06558	0.7
85.10214	0.4
88.07640	1.9
89.07950	0.4
89.53188	0.3
91.05482	1.9
93.07047	4.4
95.04981	0.6
95.08614	6.2
97.06522	0.7
97.10204	0.3
105.07032	3.2
107.08595	4.3
109.06488	0.7
109.10154	2.8
111.08075	0.6
117.07014	1.0
119.08588	2.5
121.06506	0.6
121.10168	2.0
123.08080	1.2
123.11719	7.6
125.09671	0.8
129.05467	0.3
129.07021	0.3
131.08586	1.5
133.06525	1.5
133.10133	1.7
135.08043	0.7
135.11708	1.2
137.05984	0.4
143.08569	1.2
145.10127	2.1
147.11711	2.0
149.09721	0.3
149.13321	0.6
151.07541	2.3
151.11220	0.5
155.08594	0.5
157.10144	2.5
159.08067	0.5
159.11732	1.8
160.12529	0.4
161.09647	0.6
161.13290	1.7
163.14816	0.5
169.10152	0.4
171.11665	2.2
173.09625	0.5
173.13226	1.8
173.36862	0.3
175.11252	0.5
175.14867	0.3
176.17952	0.3
177.12766	0.7
179.08356	0.4
183.11676	0.9
185.13304	1.1
187.11191	0.8
187.14832	0.7
189.12756	0.9
197.13304	0.5
199.14752	0.4
201.12791	1.5
201.16418	0.7
213.16425	0.9
215.14410	0.5
215.18039	0.5
216.40295	0.3
219.13896	0.3
227.17934	2.7
229.12224	0.4
229.15799	0.5
241.15820	0.5
241.19579	1.0
242.20349	1.9
243.17561	0.4
243.21146	1.2
243.25211	1.4
247.13222	0.7
253.19516	1.1
257.19016	1.0
261.22003	1.6
271.20569	3.4
287.27786	0.7
289.21649	4.9
294.39163	0.4
299.20071	1.1
317.21268	2.6
317.24429	0.5
335.22076	100.0
335.25439	4.3
335.29938	6.9
336.22449	1.7
350.35623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2218
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03941	1.9
55.01850	1.9
55.05518	13.1
56.43785	1.4
57.07064	1.7
65.03916	1.5
67.05511	15.0
69.03436	7.2
69.07073	11.3
69.89111	8.3
71.04957	2.1
73.90522	1.3
79.05495	12.8
81.03407	4.0
81.07060	27.3
83.04990	8.0
83.08588	5.2
85.06535	2.6
91.05483	17.8
93.07054	20.6
95.04952	6.0
95.08074	1.9
95.08614	28.6
97.06539	9.3
97.10168	3.4
99.08073	2.8
105.07040	24.7
107.04960	2.0
107.08602	30.3
109.02898	10.4
109.06531	6.9
109.10159	23.4
111.08044	5.8
111.11706	2.0
117.07042	7.4
119.08585	19.1
119.15898	1.4
121.06469	6.5
121.10160	19.3
123.08090	7.3
123.11740	7.0
125.09641	8.3
127.03933	1.7
128.06198	1.7
129.06981	2.0
131.08553	12.0
133.10138	16.7
135.08032	8.9
135.11674	10.2
137.09619	17.5
139.11133	4.7
141.09045	2.0
143.08566	8.5
145.06451	2.4
145.10138	19.6
147.08002	5.1
147.11673	10.7
149.09621	15.5
151.11165	8.7
153.09059	2.2
154.13875	1.6
155.08501	5.9
157.10153	10.2
158.10843	1.9
159.07999	4.5
159.11697	14.7
161.09636	25.9
161.13269	8.3
163.11189	10.0
165.09077	3.9
167.10596	2.0
169.10126	7.2
171.11745	10.8
173.09557	6.6
173.13237	15.0
175.11249	7.4
177.09129	2.3
177.12726	2.8
179.10632	5.4
183.11693	7.5
185.09564	2.1
185.13214	9.6
187.11145	7.2
187.14844	14.7
189.12701	5.3
191.10710	10.3
195.11664	2.4
197.13307	10.4
199.11191	2.6
199.14761	4.3
201.12794	7.1
201.16302	1.7
205.12155	4.7
209.13242	2.7
211.11172	2.0
211.14920	3.8
213.12833	3.3
213.16399	8.3
215.14343	15.6
215.17783	1.7
217.12303	9.7
217.15857	2.8
219.13802	2.2
225.12726	3.4
225.16318	2.7
227.17952	4.4
229.12294	2.3
229.15858	2.5
229.19514	3.4
233.15335	11.8
239.14281	2.0
239.17897	3.1
241.15817	5.4
243.13788	3.4
243.17284	1.6
245.18941	2.1
253.19597	8.8
255.17349	4.3
257.15244	6.2
257.18970	8.2
259.16919	7.4
269.18927	4.2
271.17358	2.2
271.20566	40.3
273.18463	7.3
275.19897	2.2
281.19189	8.3
287.20074	16.1
289.21472	3.7
299.20041	34.0
317.21133	100.0
318.21133	2.1
335.22079	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2219
Annotation	Enanderianin P
Peak:m/z	Relative Intensity
52.27048	1.1
53.03954	2.3
55.01873	1.8
55.05511	6.0
57.07057	1.8
61.02916	1.0
65.03934	1.3
65.26581	0.9
67.05508	11.1
69.03426	2.8
69.07062	6.7
70.69244	1.9
71.05007	2.4
79.05501	12.5
81.03421	6.4
81.07060	15.0
83.04971	9.7
83.08618	3.2
85.06541	1.0
87.04437	1.6
91.05473	11.4
93.07043	14.8
95.04959	3.6
95.08608	19.7
97.06561	6.1
99.08097	2.0
101.17712	1.0
101.27864	1.1
105.07037	20.7
107.04944	9.5
107.08598	28.8
109.02885	13.6
109.06538	4.6
109.10158	10.3
111.04456	1.8
111.08067	3.2
115.05479	1.3
117.07029	3.6
119.08591	13.6
121.06477	10.0
121.10158	11.5
123.08052	11.2
123.11714	2.4
125.09653	1.9
127.03922	1.8
128.06250	1.2
129.07030	3.9
131.08589	7.8
133.06485	1.9
133.10143	10.2
135.08060	9.2
135.11699	11.1
136.06212	2.3
137.09615	4.7
139.11288	1.2
141.07002	2.3
141.09100	1.5
142.07809	1.8
143.08565	9.1
145.06509	4.3
145.10135	14.7
147.08086	6.4
147.11668	7.8
149.09627	4.7
149.13342	1.2
151.11217	2.9
155.08549	7.2
156.09402	2.4
156.50795	1.2
157.10136	14.3
159.08055	13.8
159.09279	1.4
159.11708	8.0
160.08891	1.4
161.06018	1.2
161.09639	21.6
161.13287	3.7
163.11205	6.7
165.09149	3.5
167.08572	1.8
168.09390	1.4
169.10194	6.0
171.08171	1.8
171.11694	16.4
172.08823	1.4
173.09624	14.5
173.13290	6.8
175.11214	11.3
175.14841	1.6
177.12791	4.5
179.10756	1.4
181.10191	2.9
182.10913	2.8
183.08052	1.3
183.11700	2.9
185.09682	1.4
185.13254	9.2
187.11182	5.9
187.14854	6.2
189.09135	1.4
189.12726	12.8
191.10683	13.3
193.10126	1.1
193.12254	2.0
195.11729	2.5
197.09599	1.6
197.13278	17.3
199.11176	2.7
199.14842	3.2
201.12721	5.5
203.14287	6.0
204.12538	1.4
205.12254	7.5
209.13400	1.4
211.11220	1.6
211.14908	4.5
213.12791	4.5
213.16478	2.7
215.14336	31.8
215.16348	2.1
217.12251	16.1
217.15764	1.3
219.13924	2.0
223.15099	1.6
225.12788	2.0
227.14426	1.8
227.18079	1.5
229.12325	3.5
229.15869	2.4
231.13742	1.6
233.15356	10.6
239.14420	2.0
239.17990	4.9
241.15933	7.1
243.13905	3.6
245.19221	1.1
253.19633	2.6
255.17535	2.3
257.15311	7.0
257.19156	2.4
259.17038	3.3
269.19028	4.5
271.17087	2.8
271.20667	5.8
273.18494	12.8
281.18988	9.5
287.20071	51.5
289.14481	1.0
299.12860	2.0
299.20071	45.7
317.21130	100.0
318.21735	1.3
335.15143	2.5
335.22232	59.5
336.16605	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	335.2217
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03940	0.7
53.22545	0.4
55.01867	0.4
55.05519	3.2
57.07077	1.2
59.04991	0.6
65.03900	0.6
67.05505	5.0
69.03423	1.0
69.07072	3.0
69.70009	2.2
70.06580	1.9
71.04999	0.5
71.06939	0.7
79.05494	3.6
80.43832	0.4
81.07065	7.8
83.04987	25.4
83.08619	0.9
86.09676	0.5
88.07635	1.1
91.05475	4.1
93.07048	8.9
95.04952	1.5
95.08616	9.8
97.06529	3.3
97.10161	0.7
98.20853	0.8
102.09178	0.5
105.07029	7.3
107.08602	19.6
109.06549	2.8
109.10156	6.3
111.08085	2.1
111.32843	0.4
117.07019	1.2
119.04960	0.5
119.08585	7.5
121.06537	0.8
121.10152	13.8
123.08085	4.5
123.11701	2.6
125.09628	2.9
131.08589	2.1
132.10173	0.8
133.10129	7.7
135.08061	3.7
135.11691	6.1
137.05942	0.5
137.09622	5.2
137.13280	1.5
139.11153	1.7
143.08556	0.8
145.10144	2.2
146.11789	0.9
147.08040	0.6
147.11687	6.9
149.09650	1.2
149.13258	1.8
151.07547	0.7
151.11188	6.8
153.09094	0.5
155.08461	0.6
157.10100	1.9
159.11731	2.7
161.09662	1.4
161.13255	4.8
163.11195	0.7
163.14761	1.3
165.09125	0.5
165.12759	4.2
169.10083	0.7
171.11705	1.2
172.27956	0.4
173.13264	2.1
175.11177	1.3
175.14795	1.5
177.12764	1.5
179.10698	1.0
179.14320	0.4
183.11674	1.0
185.13310	1.2
187.11191	0.6
187.14847	1.5
193.12267	1.2
197.13203	1.0
199.14911	0.7
201.12700	1.3
201.16492	0.6
203.14346	0.6
211.14955	0.7
213.16324	0.9
215.14328	1.3
219.13766	0.7
225.16437	0.5
227.17960	0.7
228.23151	0.5
229.23618	2.2
237.14859	1.0
241.19508	1.6
242.20116	0.5
243.21007	2.1
253.19568	1.8
256.05438	0.4
259.20621	1.0
271.20569	6.2
272.25726	0.8
273.26230	5.1
276.20413	0.6
289.21631	12.6
299.20071	0.7
317.20984	2.3
335.22159	100.0
335.29770	18.0
336.22604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2217
Annotation	Enanderianin P
Peak:m/z	Relative Intensity
53.03943	1.6
53.98058	1.4
55.01871	3.8
55.05517	8.4
57.03445	2.8
59.05011	1.3
67.05507	15.0
69.03421	3.5
69.07072	11.0
71.04996	2.4
71.36296	2.6
77.10982	1.2
77.17380	1.3
79.05494	14.0
81.03425	2.9
81.07066	21.4
83.04975	9.1
83.08618	3.6
91.05486	14.6
93.07047	18.7
95.04987	5.2
95.08064	2.2
95.08616	25.0
97.06551	6.6
99.08087	3.2
103.68979	1.3
105.07039	21.8
107.04957	10.5
107.08611	28.1
109.02904	2.7
109.06513	5.6
109.10175	14.4
111.08073	5.2
115.05428	2.1
117.07014	4.2
119.08585	16.0
121.06505	9.0
121.10187	15.4
123.08066	12.5
123.11697	3.2
125.09606	2.8
128.06226	2.2
129.07048	3.7
131.08545	9.9
133.06500	2.2
133.10150	19.6
135.07176	1.7
135.08067	10.6
135.11707	9.8
137.09618	6.9
139.11172	2.2
141.09117	2.2
142.07802	2.2
143.08571	9.5
145.06522	4.6
145.10127	16.2
147.08049	5.9
147.11700	10.9
149.09572	7.6
149.13275	1.9
151.11214	6.7
155.08556	7.3
156.09364	3.6
157.10147	13.7
158.07309	1.9
159.08070	10.0
159.11685	10.3
161.09645	19.3
161.13336	5.1
163.11182	5.5
165.09146	5.4
167.08623	1.9
169.10132	5.6
169.12163	1.8
171.11736	17.2
173.09674	15.3
173.13278	9.4
175.11192	8.9
175.14784	2.4
177.12788	4.5
179.10738	2.5
181.05045	1.7
181.10147	2.3
182.17989	1.4
183.11734	5.5
185.09608	2.9
185.13249	10.1
187.11209	5.4
187.14813	6.3
189.09116	1.5
189.12801	13.9
191.10725	12.0
191.14352	2.0
193.12350	1.6
193.61772	1.7
195.11649	2.0
196.12584	1.3
196.41348	1.7
197.13275	15.8
199.11259	3.2
199.14844	5.7
201.12769	5.4
203.14317	5.3
205.12303	6.1
211.11345	1.7
211.14842	3.9
213.12848	4.1
213.16353	3.4
215.12733	3.1
215.14375	38.7
217.12259	15.8
219.13782	2.6
221.13295	1.6
223.14856	1.9
225.12744	3.1
227.18149	2.6
229.12086	2.2
229.15865	3.1
231.13931	2.0
233.15366	13.1
239.14326	3.4
239.18002	6.0
241.15898	6.5
243.13734	3.7
253.19617	1.7
255.17595	2.8
257.15408	3.6
257.19040	2.8
259.16986	2.6
263.18103	2.0
269.18961	4.3
271.17551	1.9
271.20609	5.0
273.18484	12.1
275.20099	3.1
281.18927	8.3
287.20087	44.8
299.16647	2.4
299.20087	46.2
317.21155	100.0
335.22189	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	335.2217
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
53.03946	1.6
55.01865	3.9
55.05516	17.0
56.58188	1.6
57.03444	1.6
57.07066	3.2
63.68377	1.3
65.03902	1.9
67.05502	14.8
69.03434	12.3
69.07063	10.2
69.58659	10.0
72.95689	1.6
79.05489	15.8
81.03412	2.3
81.07060	28.5
83.04993	16.8
83.08619	15.4
85.06507	3.3
91.05491	17.3
93.07047	26.0
95.04948	5.5
95.08608	26.8
97.06552	9.3
97.10153	6.7
98.20823	1.9
98.97569	1.4
99.08066	2.4
100.11223	4.2
105.07040	22.9
107.08607	26.2
109.06522	9.2
109.10158	20.2
111.04409	2.3
111.08051	5.7
117.07013	12.3
119.08585	21.9
121.06479	5.0
121.10139	19.1
123.08043	10.5
123.11718	8.2
125.09630	22.5
126.29328	1.9
127.07557	19.7
129.06964	4.2
130.15871	1.5
131.08565	19.6
133.10129	18.7
135.08032	6.2
135.11710	11.7
137.05939	2.2
137.09618	11.1
139.07559	1.5
139.11128	3.1
141.11490	1.9
143.08583	8.6
145.10118	37.2
147.08029	2.9
147.11682	15.2
149.09628	18.7
149.13228	3.0
151.07547	3.1
151.11189	10.5
153.09053	2.4
155.08513	5.3
157.10150	9.0
159.11688	27.7
161.09618	4.0
161.13263	15.2
163.11137	6.7
163.14804	3.1
165.09122	9.2
167.10591	2.6
169.10083	6.0
170.15431	2.3
171.11665	8.2
173.09613	3.4
173.13261	36.1
175.11125	4.3
175.14769	3.5
177.09212	1.7
177.12717	2.6
179.10651	2.1
182.11021	1.7
182.15274	1.6
183.10175	6.5
183.11687	4.1
185.13304	10.0
187.11186	3.4
187.14824	35.5
189.12752	4.2
189.16469	1.8
190.92679	1.4
191.10561	2.2
191.14307	5.5
193.12248	2.1
197.13242	5.4
198.14900	2.0
201.12689	6.6
201.16406	3.3
203.10570	1.9
205.12227	1.8
210.14931	2.4
211.14906	3.9
213.16393	14.3
215.10933	2.0
215.14310	28.6
218.66292	2.1
219.13786	8.0
225.16348	6.6
227.17876	4.9
229.15985	1.7
229.19536	6.3
233.15376	30.9
239.17824	3.4
241.15823	2.6
243.13834	1.9
243.17506	2.7
243.21004	2.8
253.19481	17.2
257.15280	1.7
257.18979	6.0
259.16873	9.0
261.14883	1.5
262.21411	3.7
269.19092	1.9
271.20569	100.0
275.20074	3.4
281.18945	4.3
287.20020	3.1
289.21552	4.0
299.20035	28.1
317.17416	2.1
317.21097	31.6
335.22122	88.7
336.22647	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03941	4.3
55.01868	2.8
55.05513	13.8
57.03441	19.6
57.07077	6.0
58.06594	2.8
65.03930	2.2
67.05509	70.1
69.03436	1.0
69.06729	1.4
69.07072	14.7
70.02209	4.1
71.04993	1.2
71.08627	1.9
72.08158	1.0
74.06071	1.1
79.05498	43.5
81.03416	1.6
81.07058	70.7
83.04990	2.4
83.08629	5.9
85.06546	1.7
85.10182	1.1
86.06078	2.0
88.07646	8.0
89.07967	1.8
91.05483	23.7
91.33044	0.8
93.07050	47.6
95.04958	3.6
95.08612	54.1
97.06561	5.0
97.07072	0.9
97.10172	2.9
97.72810	0.9
98.98456	3.9
99.08134	1.0
103.03963	1.3
105.07032	17.7
107.08601	26.0
109.06522	1.7
109.10163	16.7
111.08086	1.4
111.11777	0.9
117.07027	6.0
119.08584	9.8
121.06589	1.3
121.10147	20.6
123.08059	1.3
123.11715	7.6
123.68549	0.9
124.12080	0.8
126.34612	1.0
129.05469	4.2
129.06975	0.9
131.08574	10.5
132.10213	2.0
133.10150	9.7
135.08101	1.2
135.11703	13.1
137.13245	3.5
145.10118	8.1
147.11728	6.5
149.13286	6.4
151.14780	1.6
159.10532	1.1
159.11670	6.6
161.13243	5.5
163.11252	1.4
163.14845	5.5
173.13260	5.6
175.14758	2.4
177.12782	1.9
177.16396	2.1
183.11584	1.1
187.14847	3.7
197.13194	1.1
201.16441	1.2
215.14371	0.9
217.19580	2.1
219.21092	1.5
227.14311	1.0
233.22635	1.8
242.24931	1.8
243.21141	11.8
243.25047	8.3
245.22742	1.3
261.03543	1.5
261.22116	8.2
276.20590	1.3
279.23309	1.5
281.18860	1.1
287.27768	3.5
289.21542	2.2
299.20029	1.7
314.51550	0.9
317.21112	3.1
317.24765	5.3
335.18246	4.1
335.25766	100.0
335.29858	38.4
336.26157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03942	2.7
55.01867	2.1
55.05514	16.5
57.03442	18.0
57.07075	4.4
62.88287	0.5
65.03939	3.5
67.05507	81.7
69.03447	0.8
69.07071	14.7
71.04987	2.2
71.08636	1.5
71.09415	0.9
73.02904	0.6
79.05015	0.9
79.05496	40.1
81.07059	70.4
82.07402	0.6
82.45814	0.5
83.04986	1.4
83.08624	9.2
85.06547	2.3
85.08252	0.6
88.07654	1.2
91.05485	23.6
93.07049	49.2
95.04988	3.5
95.08609	48.5
95.98891	0.5
97.06541	3.0
97.10185	3.6
98.98456	0.7
99.08090	1.0
105.04519	1.2
105.07031	13.3
105.07690	0.9
107.08600	22.7
109.06554	2.0
109.10165	18.0
111.08099	2.0
115.05449	0.7
117.07017	6.6
119.08590	10.5
121.06532	0.7
121.10152	13.7
123.08107	2.0
123.11717	8.3
125.09630	1.2
129.05524	1.4
129.07066	0.7
131.08566	13.3
133.10146	6.8
135.08034	0.6
135.11703	9.2
137.09631	1.2
137.13268	3.8
139.11220	0.8
143.08546	1.0
145.10126	8.1
147.11678	5.4
149.09650	1.5
149.13266	7.3
151.11246	0.6
151.14861	1.9
157.10118	0.7
159.11699	6.0
161.13301	4.4
163.11279	1.1
163.14818	4.0
163.95628	0.5
165.12640	0.6
169.10197	0.6
171.11783	0.6
173.09593	1.2
173.13248	6.1
175.11163	0.8
175.14886	3.0
177.12764	1.2
177.16422	1.2
185.09645	1.7
185.13321	1.0
187.11198	3.7
187.14764	3.2
189.16370	0.7
191.14357	0.8
201.12782	1.1
201.16414	1.8
205.15935	1.1
212.70203	0.6
229.12256	1.8
233.22858	0.7
243.21114	5.5
243.25075	0.9
247.13322	3.5
255.17468	1.1
257.19049	2.3
261.22153	6.6
271.20615	1.5
289.21753	1.0
317.21130	4.6
317.24768	3.3
318.24655	0.8
335.22568	4.3
335.25827	100.0
335.29575	4.6
336.26065	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2583
Annotation	fusicocca-1,10(14)-diene-16-(hydroxymethyl)-3,8beta-diol
Peak:m/z	Relative Intensity
53.03943	2.1
55.01862	2.4
55.05515	12.3
57.03445	20.2
57.07089	3.5
57.07310	0.7
65.03940	2.2
67.05509	61.3
69.03448	0.9
69.07074	11.3
69.50037	0.6
70.31200	0.7
71.04993	1.5
71.08651	1.0
71.57914	0.7
77.03948	0.8
79.05499	38.8
81.03436	1.5
81.07060	66.0
83.04998	2.2
83.08619	6.3
85.06538	1.7
88.07648	0.8
91.05488	19.4
93.07052	45.1
95.04977	3.1
95.08612	56.8
97.06531	2.3
97.10178	2.6
99.08115	0.7
103.03951	1.3
103.78719	0.8
105.04580	0.8
105.07032	13.9
107.08598	24.0
109.06524	1.2
109.10162	20.4
111.08073	1.7
113.09635	1.2
113.33662	0.7
117.07027	6.1
119.08582	11.6
121.10150	21.3
123.08093	2.0
123.11715	11.3
128.34837	0.7
129.05467	4.0
129.07028	1.3
131.08571	11.3
133.10141	9.7
135.08066	1.7
135.11705	14.8
137.09618	1.4
137.13258	2.9
139.11244	0.9
143.08563	1.4
145.10127	8.9
147.11729	5.3
149.09621	2.1
149.13271	8.6
151.11195	3.4
151.14777	1.3
155.07042	1.3
157.10104	1.1
159.11736	7.1
161.13248	6.5
163.11166	1.0
163.14857	7.0
171.11711	0.9
173.13281	7.0
174.43370	0.7
175.14789	1.8
177.12820	1.1
177.16423	2.4
179.14241	0.9
185.13200	0.7
187.14868	3.4
201.16345	1.4
203.27223	0.8
215.17929	1.0
217.19644	2.2
219.21109	2.1
233.22684	1.2
243.21092	15.0
243.23346	1.1
245.22678	1.6
261.22156	9.7
264.22720	0.7
271.20499	0.9
279.23145	1.7
291.23135	0.8
299.20245	1.1
299.23584	1.0
317.21295	1.0
317.24701	7.2
335.21906	83.1
335.25861	100.0
336.22327	1.4
336.26163	2.1
340.02515	0.8
354.27618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	3.2
55.01861	1.2
55.05266	1.1
55.05517	15.7
57.03439	19.0
57.07079	1.6
58.36333	0.7
65.03926	2.2
67.05509	65.5
69.06734	1.1
69.07076	12.7
70.12428	1.8
70.12825	1.8
70.72791	0.8
71.04976	2.1
72.52030	0.8
74.41142	0.8
79.05497	31.0
81.07062	51.6
83.04985	1.9
83.08632	5.6
85.06521	1.3
91.05479	15.4
93.07052	32.2
95.04953	2.0
95.08613	43.4
97.06528	2.4
97.10194	1.4
98.98483	1.6
99.99734	0.8
105.04502	1.3
105.07037	8.8
107.08592	16.8
109.10160	15.9
111.08080	1.6
117.07025	2.7
118.58571	0.8
119.08596	7.1
121.10152	13.9
123.08075	1.3
123.11717	4.2
131.08589	5.7
133.10152	5.8
135.11693	9.6
137.13284	2.1
145.10109	2.6
147.11668	3.7
149.13263	4.7
151.14778	1.1
159.11708	3.2
161.13258	2.6
163.14789	1.6
166.04343	0.8
173.13260	2.6
175.14851	1.2
187.14828	1.8
220.70645	0.8
223.36375	1.1
230.26921	0.7
243.21124	2.6
261.22125	4.7
317.24841	1.1
335.25815	100.0
336.26141	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	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	2.0
55.01867	1.1
55.05517	11.8
57.03445	15.1
57.07066	2.7
65.03941	1.6
67.05510	53.3
69.07079	8.9
70.23123	1.9
71.04990	1.0
71.53513	0.6
77.03917	0.7
79.05502	28.5
81.07063	52.1
83.04974	1.2
83.08633	5.7
85.06536	0.8
91.05486	12.9
93.07053	31.5
94.02327	0.7
95.04977	1.7
95.08614	42.7
97.06523	2.2
97.10181	1.7
99.08053	0.8
105.07034	9.4
107.08608	21.0
109.09479	1.2
109.10173	19.0
112.94261	0.6
117.07015	3.1
119.08592	8.3
121.10146	13.9
123.08051	1.0
123.11714	7.1
129.05418	0.8
131.08568	6.5
133.10126	6.4
135.11705	12.4
137.09613	0.8
137.13272	2.8
145.10117	5.8
147.11700	5.6
149.13252	6.6
151.11188	0.9
159.11723	3.0
161.13300	4.2
163.14825	3.0
173.13278	3.9
175.14841	1.5
177.12556	0.7
177.16339	1.1
179.14319	0.7
187.14839	2.9
201.16353	1.3
209.15265	0.9
215.56227	0.8
219.44962	0.7
240.23788	0.8
243.21146	6.5
261.22171	8.6
279.22998	1.6
302.66409	0.7
317.24753	3.1
335.25824	100.0
336.26160	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03943	3.4
55.01863	0.9
55.05512	15.7
57.03440	16.9
57.07061	2.1
65.03954	2.9
67.05505	59.4
69.07069	15.6
69.26196	1.5
69.26601	4.0
71.05003	1.2
79.05491	32.2
81.07056	56.4
83.04965	1.5
83.08620	4.9
85.06538	1.7
91.05479	14.1
93.07043	33.2
95.04959	2.4
95.08607	43.5
97.06526	2.0
97.10159	2.2
105.04455	0.9
105.07026	8.9
107.07877	1.1
107.08595	17.3
108.68815	0.5
109.06528	1.1
109.10159	18.1
111.08032	0.5
117.07012	3.3
119.08583	7.7
121.09330	1.1
121.10148	13.2
123.08079	1.3
123.11745	5.4
125.09655	0.7
131.08574	6.4
133.10133	5.5
135.11693	9.1
137.13232	0.9
145.10136	4.1
147.11726	3.2
149.13257	3.9
151.14786	1.0
159.11708	2.3
161.13239	2.9
163.14819	1.6
173.13258	3.4
175.14888	0.9
177.12772	0.6
187.14870	1.7
199.89279	0.6
205.15907	0.6
243.21156	3.1
261.22098	3.9
279.23306	0.6
317.24509	1.3
335.25787	100.0
336.26221	1.6
348.04068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.2
56.05032	0.8
56.96577	0.8
61.02913	0.9
65.27930	0.8
67.05491	0.9
68.99751	0.9
69.03433	5.8
69.91308	3.8
70.06597	8.5
71.04996	1.0
72.08145	1.4
73.02930	0.8
81.03406	3.0
85.02913	15.6
86.09711	1.1
87.00826	3.5
88.07637	100.0
97.02885	3.1
99.04453	2.0
105.01862	4.2
109.02877	3.9
110.06010	0.9
115.10329	0.7
120.08108	1.4
123.08199	0.9
127.03914	9.3
130.96486	0.7
137.27586	0.9
145.04959	3.1
157.08641	1.1
159.02910	1.3
163.03889	1.1
189.03842	0.9
231.04965	2.0
263.47430	0.8
267.67679	0.9
272.10806	1.0
318.11609	1.2
336.13934	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	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
55.17009	2.7
70.40997	3.6
70.41330	4.4
101.94308	2.6
122.69502	2.6
177.13644	2.5
178.35831	2.6
224.20288	2.2
337.08508	100.0
359.51089	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0922
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
51.85759	1.7
55.01876	3.2
61.02919	4.0
67.05495	1.7
69.03432	5.2
70.25916	4.6
79.05496	2.3
85.02914	12.3
87.09676	1.6
91.05451	2.5
95.04971	2.1
97.02892	4.3
98.06062	2.2
103.05495	5.1
105.03410	2.6
109.02905	1.9
109.06503	2.1
115.05454	3.8
117.03388	2.4
117.07066	3.5
120.08104	5.8
127.03936	3.4
131.04909	15.9
135.04373	2.1
137.05963	7.6
141.06950	4.9
143.04906	4.4
145.05026	2.0
145.06474	4.7
147.04401	4.9
148.05190	2.5
149.05978	7.5
151.03871	6.9
155.01894	2.0
155.04918	4.4
157.06514	4.0
157.49294	1.9
159.04495	3.2
160.05197	5.4
161.05988	5.4
163.03961	2.8
163.07582	4.3
168.05760	2.9
169.06497	13.8
171.04378	9.6
173.03053	3.1
173.05984	3.2
174.03087	2.0
175.03963	5.4
175.07567	3.5
176.04718	5.5
177.04062	3.7
177.05486	41.0
183.04483	5.8
184.05186	2.8
185.05933	6.6
186.06747	2.5
187.03868	2.4
187.07556	6.0
188.04663	4.5
189.05490	9.6
191.07053	39.4
196.05150	2.7
197.05981	11.2
199.03926	5.8
200.04720	6.2
201.05498	3.2
203.07076	17.3
204.04306	3.9
205.04927	2.5
205.08685	2.1
207.06561	13.0
211.07591	2.8
213.05511	7.4
214.06265	10.9
215.07022	14.1
216.04164	4.6
217.01886	4.5
217.05051	10.5
217.08687	3.5
219.06544	47.2
221.04568	4.1
227.07008	3.8
228.04169	2.4
229.05055	3.2
229.08621	13.4
230.05734	2.4
231.06563	25.1
242.05832	4.6
243.06598	9.7
245.08119	6.1
257.08066	8.1
259.05994	5.2
259.44934	1.9
261.07669	4.3
273.07596	8.0
291.08618	9.1
295.10715	4.1
301.07205	3.5
301.11523	2.5
309.09692	2.4
319.07993	3.7
337.09174	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2375
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
52.09776	2.7
53.03940	3.6
55.05514	91.4
57.07066	5.5
67.05499	16.0
69.03439	5.2
69.07076	37.6
70.22283	6.2
70.22677	6.6
79.05492	9.2
81.07059	38.4
83.04977	17.2
83.08624	72.1
83.71475	3.0
85.10207	4.6
91.05482	12.4
93.07049	31.1
95.04981	4.7
95.08602	35.0
97.06533	9.9
97.10181	24.6
98.20803	3.1
105.07050	12.9
107.08594	21.1
109.06529	6.9
109.10166	20.8
111.08047	4.2
111.11736	10.3
119.08584	21.9
121.10151	28.6
123.08073	7.1
123.11681	6.7
129.06960	4.8
131.08546	7.4
133.06458	4.6
133.10121	16.0
135.08073	3.5
135.11670	14.7
137.09608	6.3
139.11201	30.8
143.08582	8.0
145.10117	17.0
146.20078	2.8
147.08049	7.0
147.11684	12.6
149.09612	5.4
149.13261	5.4
151.11197	3.8
155.08528	3.4
157.10114	9.8
157.12288	10.6
157.93240	3.0
158.07278	3.5
159.08069	22.5
159.11725	13.3
161.09621	22.7
161.13194	5.0
163.11182	3.7
167.08588	3.9
167.10725	3.9
169.10147	6.1
171.08046	28.7
171.11664	8.2
172.08882	8.3
173.09637	28.0
173.13263	6.2
175.11226	12.2
181.12270	4.2
183.08115	3.2
183.11623	5.8
184.08867	6.6
185.09628	33.4
185.13301	7.5
186.10405	3.5
187.11172	36.4
189.12846	14.0
195.11656	5.4
197.09647	5.2
197.13277	4.4
198.10431	14.3
199.11203	23.2
199.14841	3.7
201.12769	44.8
203.14296	30.4
213.12759	45.3
213.16277	3.2
215.14287	23.9
217.15924	3.8
219.13838	3.8
227.14293	18.2
229.15915	27.2
231.13821	53.1
241.15877	18.4
243.17406	9.0
245.15338	8.3
245.19049	4.2
249.14864	54.8
249.52354	3.1
253.19588	4.2
255.17502	9.8
257.19040	17.8
259.20560	32.1
263.16452	12.1
271.20569	38.2
273.21890	6.2
283.20572	100.0
289.21552	14.3
291.23297	5.1
301.21625	85.5
319.22693	75.5
337.14349	4.7
337.23718	77.1
337.27597	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
55.01874	0.9
55.05513	3.3
60.58621	0.7
61.32445	0.5
67.05505	6.8
69.03407	1.8
69.07058	3.9
70.04652	2.3
71.04974	0.6
79.05495	5.8
81.03398	1.5
81.07059	10.2
83.04943	0.9
83.08588	1.9
91.05495	6.3
93.07043	14.7
95.04967	1.3
95.08604	15.0
97.06525	1.6
105.07040	6.9
107.04952	1.3
107.08597	12.0
109.06531	1.4
109.10151	10.4
111.08086	1.7
111.11708	0.9
113.09679	0.7
117.07005	2.0
119.04960	0.9
119.07808	1.1
119.08585	12.9
121.06505	2.6
121.10151	10.2
123.08086	1.8
123.11694	2.5
125.09619	1.3
128.06183	0.7
129.07010	1.4
131.08557	3.7
133.06482	1.7
133.07669	0.5
133.10127	5.3
135.08038	3.0
135.11661	3.5
137.09601	4.1
137.13213	0.9
139.11183	1.7
141.09090	0.8
143.08559	2.3
145.06433	1.0
145.10121	6.2
145.32277	0.6
147.04524	1.3
147.08037	4.6
147.11702	4.4
149.09584	2.9
149.13304	1.1
151.11150	0.8
155.08531	1.8
155.10672	1.6
156.09294	0.7
157.06384	1.0
157.10124	4.6
159.08073	2.9
159.11679	5.8
161.09625	4.8
161.13228	3.1
163.11224	4.3
165.09087	3.3
165.12770	0.7
169.10063	3.3
171.08054	1.1
171.11679	3.4
173.09601	3.3
173.13222	4.3
175.11179	5.3
175.14824	1.6
177.12758	6.6
181.10095	1.4
183.11679	2.9
185.09573	1.8
185.13268	3.0
187.11221	4.4
187.14816	1.9
189.12743	8.2
193.12265	1.6
195.11696	2.2
197.13228	2.4
198.10281	0.8
199.11168	2.5
199.14827	2.5
201.12747	7.3
201.16309	0.9
203.14316	2.4
209.13274	1.2
211.11113	0.8
211.14761	1.4
213.12706	2.9
213.16463	0.6
215.14238	3.2
215.17857	1.1
219.13779	1.3
223.14966	1.5
225.12846	0.6
225.16466	3.8
226.16965	0.6
227.14319	3.6
227.17868	0.7
229.15921	1.2
229.19485	0.7
231.13708	1.2
233.15349	0.8
239.17984	1.4
241.15826	2.7
241.19569	2.1
243.17416	6.0
245.15344	0.9
253.15898	0.7
253.19501	1.7
255.17487	2.2
255.21127	2.2
257.19052	7.1
259.20618	1.7
265.19550	3.2
268.18201	1.3
271.20563	8.5
273.18506	0.7
273.22156	1.1
275.20117	0.6
283.20563	11.7
289.21628	2.9
301.21613	27.6
319.22672	26.2
337.23718	100.0
338.24115	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
50.12927	0.5
53.03951	0.4
55.05515	3.3
57.07072	0.4
59.05008	0.5
62.11481	0.5
65.03963	0.5
67.05505	4.8
69.03387	0.8
69.07071	3.2
69.26463	0.7
69.26865	3.7
70.25309	0.5
79.05488	4.5
81.07056	10.8
83.04971	1.8
83.08613	1.9
85.06503	0.6
91.05499	4.3
91.73150	0.5
93.06493	0.6
93.07051	8.0
95.04949	0.8
95.08611	12.0
97.06516	2.1
97.10165	1.0
99.08103	0.5
100.72598	0.5
105.07033	6.7
107.04915	0.7
107.08601	10.9
109.02788	0.5
109.06491	1.1
109.10152	4.9
111.08085	2.0
115.01361	0.5
117.07017	1.8
119.08584	9.4
121.06484	1.3
121.10157	7.7
123.08096	2.6
123.11710	0.8
125.09685	0.9
128.06253	0.8
129.06996	1.6
131.08569	5.2
133.10123	5.1
135.08072	1.9
135.11678	2.0
137.09625	2.0
139.11150	0.8
141.06972	0.9
141.09129	2.0
142.07855	0.5
143.08591	3.6
144.09370	1.1
145.06490	0.9
145.10144	5.8
145.11197	0.9
147.08051	2.1
147.11713	5.1
149.09621	0.9
149.13245	0.8
151.11136	0.7
155.08560	1.7
156.09378	0.8
157.10144	5.7
158.10918	0.6
159.08076	1.6
159.11707	10.4
160.08809	0.9
161.09586	4.6
161.13257	5.7
163.11183	2.7
163.14731	0.6
165.09084	0.6
167.08574	1.1
169.10133	3.9
171.08047	1.4
171.11687	4.1
173.09659	1.6
173.13255	7.5
175.11200	7.5
175.14850	1.6
177.12772	2.8
179.08597	0.7
181.10120	2.2
182.10921	0.7
183.07973	0.6
183.11688	4.1
184.12486	1.1
185.09651	2.2
185.13246	4.0
186.10361	0.6
187.11192	2.3
187.14859	1.7
189.12782	5.3
193.10272	0.7
193.12276	1.1
194.10857	0.8
195.11742	2.6
196.12448	1.0
197.09679	0.6
197.13275	3.3
198.10390	0.8
199.11197	1.8
199.14857	3.7
199.81540	0.5
201.12804	3.8
201.16423	0.8
201.95389	0.5
203.14308	3.6
208.12520	0.6
209.13289	2.9
210.14044	1.6
211.14847	2.5
212.15602	0.6
213.12749	2.2
213.16370	4.2
215.14357	1.5
217.15865	0.7
219.13803	2.5
223.14883	2.8
225.16382	7.3
227.14348	4.1
227.17992	0.9
229.15906	1.1
231.13786	0.9
237.16422	1.3
239.17958	2.0
240.18849	0.9
241.15799	3.0
241.19572	3.3
243.17473	2.6
243.21101	0.9
245.15421	1.3
250.17169	0.6
253.19536	2.5
255.17491	1.3
255.21042	2.8
257.18909	3.1
259.16724	0.5
259.20694	0.7
265.19537	3.9
271.20563	7.8
273.18555	0.9
273.22156	1.2
275.20245	0.8
283.20569	13.4
289.21634	7.6
301.21634	18.4
302.22098	0.6
312.05695	0.5
319.22684	32.4
320.23117	0.9
337.23737	100.0
337.54791	0.4
338.24081	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	337.2374
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
53.03940	0.9
53.08091	0.4
55.01860	0.5
55.05511	3.9
57.03435	0.7
57.07073	1.0
59.04973	0.4
60.37788	0.4
62.06726	0.4
67.05176	0.6
67.05510	7.5
69.03430	2.2
69.07071	4.2
69.60389	0.4
70.10357	0.8
70.10745	1.1
71.04969	0.8
79.05067	0.7
79.05495	7.7
79.92519	0.5
81.03408	0.4
81.06592	0.8
81.07058	13.3
82.00967	0.5
83.04568	0.4
83.04991	3.0
83.08617	2.5
85.06532	1.1
91.05485	6.7
93.07046	13.4
95.04958	2.8
95.08607	15.0
97.02828	0.5
97.06550	2.6
97.10144	1.5
98.20820	0.6
99.08096	0.7
103.05424	0.6
105.07032	9.5
107.04956	1.3
107.08597	16.0
109.02901	0.7
109.06544	3.0
109.10161	10.2
111.08085	2.5
115.05408	0.8
117.07027	2.4
119.08592	12.6
120.08959	0.4
121.06530	2.6
121.10147	13.5
123.08070	3.1
123.11687	2.0
125.09649	2.0
128.06250	0.7
129.07022	1.6
131.08554	5.6
133.06491	1.0
133.10133	12.8
135.08049	3.2
135.11687	3.7
136.94691	0.4
137.09621	6.2
139.11192	1.9
141.06993	0.8
141.09081	2.0
142.07770	0.9
142.41354	0.4
143.08540	4.4
144.09315	0.7
145.06502	0.7
145.10117	7.1
147.04359	0.4
147.08046	3.1
147.11710	4.7
149.09607	3.1
149.13283	1.7
151.11177	1.0
153.06955	0.4
153.09048	0.5
155.08545	3.3
155.10651	0.4
156.09398	1.3
157.06421	0.5
157.10143	6.0
158.10831	0.5
159.08058	2.2
159.11700	11.2
160.08797	0.9
161.09619	7.9
161.13261	6.1
163.07556	0.9
163.11177	3.4
164.07094	0.5
165.07008	0.5
165.09042	2.0
167.08609	1.1
167.10677	0.9
168.09315	0.8
169.10104	3.6
170.10867	0.6
171.08089	1.7
171.11713	4.0
172.08821	0.5
173.09615	3.1
173.13260	6.9
175.11179	7.0
175.14844	1.5
177.12762	3.8
179.08519	0.7
179.10753	0.8
179.14391	0.8
181.10127	1.8
182.10959	0.7
183.11707	4.5
184.12489	0.8
185.09637	1.7
185.13271	3.5
186.10439	0.6
187.11221	3.9
187.14832	2.3
189.09166	0.5
189.12761	5.9
191.14342	3.7
193.10538	0.5
193.12175	2.3
194.10989	0.8
195.11653	2.2
195.13416	0.5
196.12477	0.6
197.13239	3.2
199.11172	1.8
199.14844	3.1
201.12711	5.3
201.16476	1.3
203.14325	3.9
209.13313	2.2
210.14037	1.1
211.14832	2.4
213.12805	3.1
213.16341	3.7
215.14362	2.4
215.17928	1.1
217.15837	1.1
219.13823	3.8
222.13995	0.5
223.14822	2.5
225.12720	0.8
225.16373	6.1
227.14314	4.7
227.17979	1.4
229.15910	1.0
229.19525	0.8
231.13785	1.3
231.17416	1.0
233.15417	0.8
235.14854	0.5
237.16402	0.5
239.17935	2.3
241.15947	3.2
241.19582	2.2
242.16821	0.6
243.17421	3.2
245.15404	2.1
245.19144	0.6
253.15770	0.7
253.19467	2.5
255.17355	2.1
255.21094	2.1
257.19025	4.2
259.16840	0.8
259.20581	0.9
261.95294	0.4
265.19525	3.6
268.18231	0.6
271.20605	6.8
273.18567	0.7
273.22134	1.7
275.20120	1.6
283.20569	12.9
289.21637	10.9
301.21634	22.9
319.22678	41.5
320.23019	0.5
337.23740	100.0
338.19958	0.5
338.24194	1.5
356.09631	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2373
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
55.05509	3.3
57.03443	0.7
57.07077	0.7
63.77203	0.5
64.68439	0.5
65.03927	0.7
67.05242	0.5
67.05515	5.1
68.59787	0.7
69.03403	1.1
69.07071	4.5
70.97923	1.2
71.05018	0.7
71.54886	0.5
79.05495	4.4
81.07059	12.6
83.04539	0.5
83.04980	2.6
83.08620	1.9
83.26875	0.6
91.05471	3.6
91.21719	0.5
93.07044	10.2
95.04965	0.8
95.08607	13.0
97.06548	2.9
97.10146	1.2
105.07037	7.5
107.08595	11.3
109.06506	1.7
109.10152	6.5
111.08087	2.0
117.07015	1.8
119.08576	10.5
121.06505	1.5
121.10149	10.1
123.08076	3.3
123.11687	2.6
125.09615	1.2
128.06195	0.6
129.07033	1.4
131.08591	4.6
133.06493	0.6
133.10152	4.1
135.08046	2.2
135.11678	2.7
137.09612	2.1
139.11201	1.5
141.07002	1.1
141.09100	2.4
142.07780	1.2
143.08583	4.0
144.09328	1.3
145.06430	0.7
145.10124	7.1
147.08038	2.3
147.11681	3.8
149.09612	1.3
149.15785	0.7
151.11183	1.4
155.08574	1.9
156.09377	0.7
157.10159	4.5
158.11047	0.7
159.08072	1.4
159.11693	9.5
160.08868	0.8
161.09637	5.7
161.13263	6.2
163.11201	2.2
165.09166	0.8
167.08569	0.8
169.10158	3.8
170.10953	0.7
171.08022	1.1
171.11697	3.5
173.09627	2.1
173.13268	7.2
175.11180	7.8
175.14841	0.9
177.12761	3.0
179.08595	0.6
181.10107	2.5
183.11716	4.5
184.12538	0.8
185.09659	2.4
185.13243	4.5
187.11246	3.1
187.14819	2.0
189.12732	5.1
191.14314	1.0
193.12244	2.2
194.10895	0.8
195.11717	2.5
196.12505	1.1
197.13249	3.1
198.10393	0.7
199.11189	1.4
199.14842	3.3
201.12810	2.8
201.16408	1.6
203.14299	2.6
209.13310	3.4
210.14099	2.1
211.14807	2.3
213.12733	2.1
213.16377	3.4
215.14384	1.6
215.17943	1.2
219.13817	2.7
222.14014	0.8
223.14848	2.1
225.16377	7.0
227.14348	4.2
227.17761	1.0
229.15948	1.9
231.13844	1.3
237.16393	1.3
239.18033	2.7
241.15872	3.4
241.19565	2.0
243.17542	2.2
245.15399	2.6
253.19472	2.1
255.17439	2.0
255.21130	1.8
257.19055	3.0
259.17047	1.0
259.20370	0.6
265.19418	3.8
271.20544	5.3
273.18518	0.8
273.22101	1.2
275.20172	1.0
283.20560	11.9
289.21567	7.1
301.21634	21.5
319.22678	34.9
337.23746	100.0
338.23999	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
53.03933	2.7
55.01862	2.9
55.05516	61.0
57.03436	3.1
57.07078	7.2
58.97146	1.4
59.04996	5.5
67.05509	17.7
69.03429	11.2
69.07074	100.0
69.90599	1.1
70.17309	5.0
71.04999	3.6
71.08635	1.6
73.06522	1.3
79.05499	16.9
81.06596	2.6
81.07064	50.9
83.04987	54.9
83.08642	5.9
85.06525	3.7
91.05481	11.8
93.07047	52.0
95.04965	8.3
95.08616	45.0
97.06537	20.5
97.10178	87.6
98.97599	1.8
99.08069	3.7
105.07034	14.4
107.07882	1.8
107.08605	31.1
109.06533	10.5
109.10175	23.5
111.08084	5.3
111.11733	27.3
115.11214	4.9
117.07037	2.1
119.08592	18.3
121.06493	2.7
121.10155	39.0
123.08064	6.4
123.11720	12.5
125.09663	3.9
131.08577	4.2
133.10144	15.0
135.08078	5.5
135.11708	27.9
137.09631	11.3
137.13240	1.3
139.07538	1.3
139.11189	79.5
142.07788	2.0
145.10135	11.3
147.08057	2.1
147.11710	5.8
149.09604	5.3
149.13257	4.6
151.11192	12.4
153.12730	9.7
155.10649	1.4
157.10112	5.6
157.12251	47.1
159.08054	1.5
159.11743	6.1
161.09637	7.4
161.13252	4.2
163.11206	9.5
163.14763	1.1
165.09189	2.0
165.12825	1.7
167.10703	4.8
173.13304	2.8
175.11212	6.2
175.14902	2.8
177.12761	3.8
179.10718	6.3
181.12247	4.2
182.02319	1.2
185.13258	2.9
187.14822	1.8
189.12711	2.5
189.16463	2.8
190.63445	1.3
191.10524	1.6
191.14305	2.8
191.17862	2.1
193.12189	1.6
199.14851	1.5
200.46794	1.4
201.16379	1.9
203.12762	4.8
203.14433	3.0
209.15457	1.2
213.12830	1.3
219.17392	4.3
235.16873	1.8
241.08572	2.3
244.16219	1.9
255.21083	2.6
273.22150	9.3
275.19992	2.4
283.20581	3.9
289.21658	1.6
291.23212	19.0
293.21054	3.5
301.21637	20.2
319.19141	2.8
319.22702	37.5
337.14319	3.0
337.23764	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	337.2376
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
53.03938	2.0
55.01851	3.1
55.05512	19.9
57.07064	5.9
59.05006	4.0
61.72258	1.7
65.03932	3.3
67.05145	2.4
67.05510	42.1
69.03425	6.5
69.07075	53.4
71.05004	4.0
71.20229	1.8
71.52071	3.3
79.05511	17.4
81.07061	62.7
83.04984	4.5
83.08618	7.4
83.67198	1.8
85.06538	8.4
91.05473	7.9
93.07048	34.1
95.04973	7.7
95.08614	63.8
97.06534	16.6
97.10181	19.0
99.08093	3.5
101.27963	2.2
105.07042	18.2
106.06481	1.9
107.08598	33.5
109.06516	7.3
109.10162	82.8
111.08100	9.1
111.11731	13.6
113.09594	2.3
119.08589	21.7
121.06484	4.7
121.10144	26.2
123.08044	2.6
123.11726	25.0
125.09622	3.4
131.08548	5.4
131.12738	2.0
133.10104	11.7
135.08057	3.9
135.11691	22.3
137.09636	12.1
137.13277	11.5
139.11176	24.7
139.77187	1.9
143.08594	3.0
145.10124	8.4
147.08078	5.4
147.11697	10.9
149.05974	3.2
149.09608	8.5
149.13283	18.2
151.11163	4.5
153.12758	21.5
155.10635	3.4
157.10121	5.3
159.07878	2.3
159.11748	6.1
161.09621	4.4
161.13239	5.5
163.11211	4.7
163.14836	5.7
165.09135	16.9
165.12741	9.2
167.10698	3.8
171.11592	2.6
171.13799	17.9
173.13274	4.7
175.11234	2.9
175.14827	4.2
179.10690	2.7
181.12267	13.8
185.13324	1.8
185.15396	4.6
187.14796	3.1
189.16391	4.3
191.10742	2.3
191.14374	2.6
199.14917	2.7
201.16489	1.9
202.00079	1.6
205.15912	5.8
213.16321	2.1
217.14290	4.0
241.08577	5.3
241.19304	1.9
243.17461	2.4
259.20526	3.4
273.22107	6.4
277.25247	3.1
283.20654	4.0
291.23074	6.0
292.19077	2.8
301.21463	12.3
305.24731	9.0
319.22675	100.0
319.25989	4.7
337.14160	9.9
337.23602	16.6
337.27460	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	337.2373
Annotation	12,20-diHETE
Peak:m/z	Relative Intensity
52.97292	0.3
53.03896	0.6
55.01815	0.9
55.05448	3.9
55.76645	0.4
57.03387	0.5
57.07010	1.3
57.07261	0.4
59.04958	0.9
59.05217	0.4
65.03877	0.7
67.05435	7.0
69.03356	1.9
69.06992	3.6
69.44617	2.4
69.45033	0.7
69.45208	0.4
71.04955	0.8
79.05493	8.1
79.05915	0.5
81.03339	1.9
81.07055	12.6
81.07502	0.6
83.04970	2.6
83.08617	2.4
85.06472	1.0
87.08064	0.9
89.69823	0.5
91.05479	6.9
93.07047	12.3
95.04968	2.2
95.08607	14.6
97.02824	0.8
97.06530	2.0
97.10103	1.2
99.08073	0.5
103.05390	0.5
105.07030	9.9
107.04890	1.1
107.08597	19.0
109.02794	0.8
109.06518	2.0
109.10155	6.9
110.51931	0.4
111.08007	1.8
115.05393	0.4
117.06921	1.6
119.08582	12.6
121.06497	2.9
121.10140	13.7
123.08066	3.1
123.11621	1.8
125.09533	1.5
127.03854	0.7
128.06152	0.5
129.06995	2.1
131.08571	7.6
133.06415	1.0
133.10132	6.7
135.08066	3.3
135.11697	3.6
137.09531	1.5
139.11121	1.3
141.06926	1.0
141.09015	1.7
142.07709	1.6
143.08559	5.5
143.54144	0.4
144.09300	1.0
145.06398	1.1
145.10121	8.6
147.08040	2.6
147.11703	4.6
149.00523	1.0
149.08627	0.4
149.09619	3.3
149.13193	1.2
151.11119	0.5
155.08542	2.8
156.09277	1.5
157.06546	0.4
157.09013	0.5
157.10136	7.6
158.10811	1.0
159.08055	2.0
159.10475	0.6
159.11687	9.9
161.09628	9.4
161.13260	6.8
163.07425	1.1
163.11182	2.7
165.06947	0.4
165.09032	0.9
165.12663	0.6
167.08498	1.6
168.09201	1.3
169.10120	4.6
170.10867	0.8
171.07993	2.0
171.11678	5.4
172.08778	0.7
173.09662	2.9
173.13251	7.5
175.07426	0.5
175.11197	6.3
175.14740	1.7
177.08969	0.4
177.12740	2.3
179.08466	0.5
180.09303	0.6
181.06604	0.4
181.10153	2.5
182.10910	0.6
183.11679	5.7
184.08772	0.7
184.12465	1.1
185.09595	3.2
185.13269	4.6
186.10342	0.7
187.11197	2.2
187.14769	1.9
189.08998	1.2
189.12753	3.7
189.16339	0.5
191.14178	1.4
193.12238	5.3
194.10921	0.9
195.11696	2.6
196.12404	0.5
197.09636	0.5
197.13235	4.5
198.10370	0.6
199.11119	1.5
199.14818	4.6
201.12747	6.7
201.16266	1.2
203.14297	2.6
205.12222	0.6
207.11667	0.5
207.13655	0.6
208.12434	0.6
209.13216	2.8
210.13921	1.0
211.11253	0.5
211.14883	2.5
213.12737	2.2
213.16368	2.8
215.14333	2.9
215.17845	1.3
217.12106	0.5
217.15796	1.9
219.13812	8.4
223.14842	3.1
224.15385	0.8
225.12714	0.9
225.16405	5.3
227.14331	5.4
227.17947	0.7
229.15785	0.5
229.19475	2.1
231.13721	1.3
231.17363	0.6
233.15201	0.5
236.15523	0.4
237.16350	1.1
239.17992	2.7
240.15021	0.7
241.15926	2.3
241.19516	2.2
243.17404	1.9
243.21031	1.3
245.15347	4.9
250.17226	0.5
253.16396	0.4
253.19444	2.5
255.17451	0.9
255.21078	1.9
257.18994	1.9
259.16998	2.4
259.20505	1.0
265.19531	3.3
271.20554	3.8
273.18533	0.9
273.22116	1.6
275.19986	2.7
283.20560	9.9
289.21622	16.5
301.14255	1.1
301.21625	17.9
319.22662	53.9
320.22897	0.6
337.23721	100.0
338.23950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2372
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
55.05494	2.7
57.07062	0.7
67.05505	4.7
69.03412	0.7
69.07066	4.7
70.07994	2.1
79.05480	5.8
81.07058	10.9
83.04965	1.8
83.08607	2.0
91.05475	4.6
93.07047	10.6
95.04958	1.9
95.08611	12.6
97.06564	1.4
97.10149	0.7
98.21559	0.9
105.07038	7.4
107.08603	10.7
109.06530	1.5
109.10157	5.3
111.06861	0.7
111.08059	2.1
117.07019	2.4
119.08585	10.7
121.06508	2.2
121.10164	10.4
123.08057	2.3
123.11642	0.7
127.02377	0.7
127.03886	0.7
129.06996	1.7
131.08563	4.8
133.10144	4.3
135.08047	1.8
135.11684	2.4
137.09630	1.5
139.11177	0.7
141.09103	2.3
142.07784	1.4
143.08549	3.9
144.09340	1.2
145.10104	6.1
147.08008	2.1
147.11714	3.8
149.09630	2.1
155.08539	1.9
156.09390	1.0
157.10123	4.6
159.08073	1.6
159.11710	12.4
161.09618	4.3
161.13242	6.9
163.11124	2.9
165.09148	1.5
167.08537	0.9
169.10095	4.6
171.08066	1.8
171.11673	4.5
173.09610	1.9
173.13284	6.9
175.11192	7.4
175.14850	1.5
177.12755	2.5
179.08540	0.9
181.10100	2.6
183.11710	4.6
185.09688	2.3
185.13274	4.4
187.11160	3.2
187.14856	2.4
189.12721	5.7
193.12238	1.4
194.11008	0.6
195.11682	2.8
196.12422	0.7
197.13199	3.1
198.10347	0.9
198.14084	0.7
199.11269	1.2
199.14827	3.3
201.12762	4.4
201.16364	0.7
203.14313	3.0
209.13292	3.2
210.13989	1.4
211.11070	0.7
211.14738	1.7
213.12737	2.8
213.16322	3.7
215.14351	1.5
215.17860	1.2
219.13803	2.1
221.13188	1.1
223.14807	1.6
225.12985	0.9
225.16394	6.8
227.14345	5.0
229.15834	1.0
237.16374	0.8
239.17950	2.2
241.15892	3.3
241.19519	2.5
243.17435	2.4
245.15367	1.5
250.17007	0.8
253.19556	1.9
255.17523	1.8
255.21051	2.6
257.19092	2.1
259.17105	0.8
259.20740	1.0
265.19574	3.1
268.18442	0.7
271.20538	6.6
273.22256	1.0
283.20599	12.4
289.21609	9.3
301.21613	22.8
319.19766	0.8
319.22668	30.7
337.23737	100.0
338.24130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2375
Annotation	(-)-Stolondiol
Peak:m/z	Relative Intensity
50.79461	0.5
53.03949	0.6
54.69368	0.5
55.05503	1.8
57.03439	0.7
57.07080	0.6
61.37564	0.5
63.22853	0.5
65.03960	0.6
65.09866	0.5
67.05507	4.8
69.03399	0.5
69.07063	2.9
70.96008	1.1
79.05499	5.1
81.07060	9.1
83.04987	1.4
83.08617	0.8
85.06525	0.8
91.05481	5.4
93.07059	9.5
95.04964	0.6
95.08611	11.0
97.06537	1.5
97.10168	0.5
105.07043	7.5
107.08606	12.9
109.06520	1.6
109.10164	5.9
111.08078	1.6
117.07032	1.9
119.08585	10.6
121.06483	2.0
121.10154	10.6
123.08087	2.0
123.11704	1.6
129.07013	1.2
131.08553	4.5
133.06447	0.8
133.10150	5.8
135.08051	2.6
135.11720	2.7
137.09598	1.8
139.11160	2.1
141.09103	1.5
142.07773	0.7
143.08551	3.5
144.09482	0.6
145.10130	5.7
147.08080	1.8
147.11714	3.7
149.09654	4.1
149.13319	1.0
151.11163	0.7
155.08603	1.9
156.09288	1.3
157.10135	5.1
159.08069	2.0
159.11705	6.6
161.09636	5.6
161.13284	3.6
163.11157	1.4
165.09119	1.4
165.12813	0.6
167.08562	0.9
169.10117	2.8
170.11049	0.7
171.11710	5.3
173.09650	1.7
173.13290	5.3
175.11201	3.8
177.12805	1.7
181.10187	1.5
183.11716	3.9
185.09671	0.7
185.13283	3.8
187.11201	1.8
187.14801	2.1
189.12756	2.5
191.14389	1.3
193.12199	2.8
195.11696	2.3
197.13258	3.9
199.11206	0.9
199.14798	2.7
201.12729	2.7
201.16402	1.0
203.14313	1.9
209.13412	1.3
210.14046	0.9
211.14876	2.7
213.12788	1.7
213.16376	2.6
215.14360	4.5
215.17903	1.6
217.15953	0.7
219.13794	3.7
223.14841	1.6
225.12758	0.6
225.16394	5.5
227.14339	2.4
227.17899	1.1
229.15968	1.1
229.19582	1.6
231.13872	0.8
233.15417	1.9
237.16402	1.5
239.17978	1.9
240.18677	0.6
241.15929	1.1
241.19614	2.2
243.17522	1.8
243.21054	0.9
245.15387	1.2
247.17047	0.6
253.19600	1.7
255.21071	1.9
257.19022	1.8
259.16968	0.8
265.19543	3.4
271.20566	2.7
273.22156	2.2
275.20020	1.6
283.20581	8.0
289.21631	9.7
295.55942	0.7
301.21600	11.9
319.22693	38.9
337.23749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
55.05509	2.2
55.98142	0.5
57.03428	1.3
57.74701	0.6
65.33965	0.7
67.05505	4.6
69.07071	3.3
70.07701	2.1
71.04995	0.9
79.05495	5.1
81.07057	8.5
83.04967	1.4
83.08616	1.2
85.06520	0.6
91.05487	5.5
91.64589	0.6
93.07051	11.1
95.04971	1.5
95.08617	12.4
95.10789	0.7
97.06522	1.7
97.10172	1.4
99.08096	1.0
100.96146	0.6
105.07040	6.7
107.08601	11.7
109.06511	1.4
109.10168	6.1
111.08081	1.6
117.07025	1.9
119.03593	0.6
119.07815	0.8
119.08595	10.0
120.55310	0.6
121.06509	1.9
121.10148	10.5
123.08075	2.6
123.11722	2.1
125.09638	0.9
129.07019	1.7
131.08583	4.4
133.10139	5.3
135.08075	3.5
135.11693	2.3
135.93706	0.6
137.09602	2.0
139.11179	1.6
143.08568	3.2
144.09367	0.8
145.10133	5.7
147.08054	1.8
147.11685	4.3
149.09612	5.0
149.13249	0.9
151.11200	1.1
153.09158	0.6
155.08551	1.8
156.09367	0.9
157.10132	4.6
158.10823	0.7
159.08066	1.4
159.11707	6.3
161.09619	4.9
161.13235	3.6
163.11230	1.1
168.09328	0.6
169.10136	3.4
171.11710	4.4
173.09622	2.1
173.13260	5.7
175.11200	2.3
175.14893	1.1
177.12752	2.2
181.10141	1.2
183.11671	3.5
185.09686	0.6
185.13286	4.0
187.11221	1.5
187.14838	1.6
189.12695	2.8
191.14348	0.8
193.12268	2.9
195.11748	1.6
197.13254	3.5
199.11224	1.3
199.14828	3.3
201.12756	2.5
201.16336	1.2
203.14291	1.7
207.11823	0.7
209.13315	1.7
211.14854	1.7
213.12854	1.4
213.16368	2.3
215.14331	3.5
215.17862	1.1
219.13815	4.0
223.14841	2.5
225.16376	3.9
227.14325	2.1
227.18068	1.1
229.15845	1.5
229.19618	1.6
233.15303	2.0
237.16263	0.9
239.17966	2.1
241.15860	1.2
241.19547	2.0
243.17439	1.9
245.15535	0.6
247.16908	0.8
253.19600	1.9
255.21185	2.4
257.19022	2.0
259.20618	0.7
265.19492	3.0
271.20605	3.2
273.18472	0.8
273.22232	3.0
275.20081	1.3
283.20599	7.8
289.21637	6.7
301.21616	11.1
319.22681	41.0
337.23749	100.0
338.24188	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	337.2373
Annotation	11S,12R-Epoxy-15S-hydroxy-5Z,8Z,13E-eicosatrienoic acid
Peak:m/z	Relative Intensity
51.95227	1.2
53.03931	4.2
55.01860	4.0
55.05513	54.4
57.03446	6.6
57.07082	7.9
59.04987	5.9
61.62935	1.3
65.03928	2.0
67.05508	31.9
69.03429	15.8
69.07072	100.0
69.61726	5.3
69.62135	3.4
71.05004	9.9
79.05072	2.1
79.05495	29.5
81.03417	2.3
81.07059	81.3
83.04984	31.0
83.08628	10.1
85.06537	4.5
91.05479	25.4
93.07050	91.1
95.04984	16.6
95.08611	72.8
96.08942	2.0
97.06525	21.2
97.10175	72.3
99.04436	2.1
99.08054	4.5
101.06039	1.6
105.04543	1.9
105.07033	31.3
107.04956	2.1
107.08601	55.4
109.06532	17.0
109.10164	44.6
111.08096	8.4
111.11728	25.9
113.06039	1.8
115.11214	4.4
117.07010	5.8
119.07712	1.8
119.08581	32.9
120.75014	1.3
121.06490	6.2
121.10155	59.1
123.08071	12.8
123.11703	23.1
125.09628	8.6
129.07022	2.6
131.08571	12.4
133.10139	31.7
135.08102	9.9
135.11696	42.1
137.09631	15.3
137.13239	3.0
137.48276	1.4
139.07516	1.6
139.11188	65.2
142.07741	1.5
143.08563	6.2
143.10663	3.9
145.10133	22.3
147.08051	4.8
147.11649	11.7
149.09631	16.1
149.13260	7.3
151.11176	20.4
153.12726	12.8
155.08508	1.3
155.10620	2.1
157.10257	8.3
157.12259	30.8
159.07991	1.4
159.11708	18.1
161.09625	12.0
161.13240	6.7
163.11176	15.8
163.14821	3.4
165.09116	5.2
165.12701	5.8
167.10686	19.3
169.10112	1.6
169.12189	2.0
171.11662	5.2
171.13809	2.8
173.13226	6.9
175.11139	8.0
175.14787	5.3
177.12740	3.7
179.10675	10.9
179.14261	3.0
181.12231	5.4
185.13271	4.0
187.14874	2.5
189.12836	2.3
189.16399	2.7
191.14288	3.3
193.12273	3.3
193.15964	2.3
197.13484	1.4
199.14807	3.4
201.12808	2.2
201.16341	2.7
203.12711	5.1
203.14386	6.5
205.15950	2.4
207.13811	1.5
209.15289	1.9
213.16460	2.1
215.14240	1.3
215.17862	2.2
219.17488	2.4
221.15318	4.4
223.14952	1.4
227.14276	2.2
229.19492	1.7
235.16946	1.6
239.16400	1.7
241.08543	2.7
245.15466	1.9
245.22270	1.4
255.21107	5.7
257.18988	1.5
259.20346	1.7
265.19470	2.3
273.22144	14.1
275.19971	5.4
283.20520	12.7
289.21503	2.4
291.23151	21.9
293.20926	2.9
301.21649	40.5
319.22684	70.4
337.14508	7.0
337.19772	2.7
337.23755	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	25.0
55.05928	5.3
57.07055	6.1
67.05511	40.1
69.03436	6.7
69.07068	44.4
71.04979	25.3
77.23775	6.2
79.05491	18.7
81.07069	68.7
83.08619	11.3
85.06525	7.0
91.05476	33.8
93.07051	46.0
95.04964	25.4
95.08606	100.0
97.06520	10.3
97.10202	9.8
98.21621	10.4
105.07036	70.6
107.08594	49.1
109.06507	14.7
109.10172	36.5
111.08115	6.7
111.11696	7.1
117.07024	7.6
119.08592	81.4
121.10152	78.7
123.08067	8.5
123.11691	56.9
129.07013	13.0
131.08582	44.3
133.10146	52.3
135.08043	25.5
135.11681	11.1
137.13254	6.1
141.06955	8.7
142.07780	15.9
143.08641	26.9
145.10172	57.8
147.08025	8.1
147.11687	27.0
149.09605	9.9
149.13272	10.4
154.92587	6.2
155.08533	12.6
156.09358	6.8
157.10144	58.0
159.11761	26.6
161.09607	32.9
161.13358	5.8
169.10127	16.0
171.11676	27.9
173.13280	12.5
175.14781	19.8
177.16261	11.1
181.10027	8.9
182.10930	15.8
183.11679	25.5
185.13246	12.4
187.14792	18.9
189.16350	7.5
195.11623	8.2
197.13261	44.7
201.12744	8.5
201.16365	15.1
209.13309	16.3
211.14818	15.9
213.12677	11.0
214.17294	6.8
215.14326	15.4
223.14830	8.8
225.16371	9.3
235.14737	6.7
239.17957	12.6
257.18961	7.4
279.21033	15.0
281.18945	11.9
337.25299	58.0
337.28174	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	337.2738
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03944	1.4
54.48361	0.3
55.01867	1.2
55.05516	27.2
57.03441	17.8
57.07079	4.0
65.03947	2.1
67.05508	59.4
68.21139	0.3
68.80603	0.3
69.03452	0.5
69.07072	31.8
69.78568	0.5
69.78986	0.9
70.07408	0.3
71.04995	1.8
71.08646	1.8
73.06575	0.3
79.05499	15.5
81.03409	0.3
81.07062	55.6
82.07389	0.4
83.04990	2.1
83.08624	15.7
83.98856	0.3
84.17572	0.3
85.06562	1.6
85.10190	0.8
91.05482	9.5
93.07049	14.7
95.04961	0.6
95.08614	38.8
96.08944	0.4
97.06542	3.2
97.10176	8.4
98.21467	0.6
99.08089	1.2
105.07040	6.8
105.07659	0.2
107.08602	6.8
109.06527	1.0
109.10165	14.3
111.08103	2.0
111.11727	1.8
113.09643	0.7
117.07034	0.3
119.07799	0.5
119.08588	5.3
121.10146	6.2
123.08103	0.8
123.11716	6.7
125.09633	1.1
125.13238	0.3
127.11209	0.3
133.10139	5.2
135.11682	2.8
137.09570	0.7
137.13237	2.6
139.11221	0.6
145.10149	0.3
147.11694	3.5
149.13277	2.2
151.11241	0.6
151.14822	1.2
153.12781	0.7
161.13274	3.3
163.14856	1.8
165.12772	0.5
167.14381	0.4
175.14851	1.9
175.24690	0.3
176.45824	0.3
177.16394	0.8
179.14235	0.3
179.18019	0.4
187.39764	0.4
189.16364	0.7
193.15709	0.3
199.36658	0.3
203.17967	0.5
232.28049	0.3
235.62837	0.3
245.22816	1.4
263.23816	2.7
337.27380	100.0
338.27646	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	338.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.7
55.05507	7.6
57.03435	5.4
61.55979	2.3
67.05502	8.9
67.75387	2.4
69.03441	4.0
69.07050	6.2
70.06584	2.6
70.62979	6.4
71.04994	3.4
74.27160	2.4
79.05492	10.4
81.03423	100.0
81.07047	9.4
83.04980	4.1
83.08612	23.4
85.02932	4.0
85.06544	2.9
91.05489	13.6
93.07064	9.5
95.04978	31.1
95.08594	9.6
105.07050	9.9
107.04971	6.9
107.08607	4.6
111.08095	13.6
119.08618	14.3
121.10132	8.7
123.08067	6.0
129.06999	9.5
131.08563	10.2
133.06531	3.6
133.10114	2.9
142.07761	5.0
147.08141	4.1
147.11697	5.2
147.12877	2.6
149.09625	7.7
157.10173	14.3
175.11185	18.3
176.29424	2.7
193.12251	95.5
211.13303	7.1
236.12700	2.8
267.15927	55.5
285.16980	63.7
292.06342	4.0
338.07010	6.8
338.16125	5.4
338.20056	3.3
338.23984	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	338.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.4
57.07063	1.0
59.05000	1.2
67.05504	3.5
69.07070	3.3
70.29520	1.0
79.05489	2.2
80.19918	0.5
81.07054	7.2
81.36268	0.5
83.04965	0.6
83.08645	1.1
91.05485	4.2
93.07040	8.9
93.63090	0.4
95.04964	2.1
95.08611	4.1
97.06502	1.3
97.10142	0.6
98.97397	0.5
105.04405	0.6
105.07025	3.1
107.08585	3.5
108.04469	2.0
109.02905	0.6
109.10151	6.4
111.11688	0.7
117.06985	1.1
119.08585	6.0
121.06631	0.5
121.10149	1.7
123.11709	19.1
129.06935	0.6
131.08556	2.1
133.10139	3.2
135.08032	0.6
135.11690	2.9
136.03931	3.0
137.09601	2.2
143.08554	1.3
145.10100	1.5
147.08040	0.8
147.11707	2.3
149.13191	0.9
150.65442	0.6
151.11163	2.5
153.12796	0.7
154.04996	2.3
157.10179	1.0
159.11713	1.4
161.09676	0.7
161.13264	1.7
165.09105	7.1
168.06590	3.1
169.04875	0.9
169.10156	0.6
171.11713	1.4
173.13269	1.6
175.11218	0.9
175.14893	1.0
179.10741	2.5
183.11754	1.1
185.13266	1.6
186.07645	1.9
187.11191	0.6
187.14847	1.7
189.12755	2.1
197.13245	1.6
201.12717	0.8
201.16394	1.5
203.14310	0.9
207.13719	0.7
211.14828	1.4
215.14310	1.8
227.17931	0.9
229.15962	1.2
257.22629	1.0
267.21124	4.6
285.22131	12.8
303.23187	100.0
304.23566	1.1
320.36655	0.5
338.19635	0.6
338.26752	2.2
344.25534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
52.09171	0.5
52.70161	0.5
55.05508	1.5
67.05500	2.6
69.03436	11.0
69.07062	1.7
79.05485	1.4
81.07057	2.6
83.08611	1.3
89.03926	4.3
91.05500	1.8
91.54204	0.5
93.07043	1.9
95.08606	2.4
96.08140	0.6
97.02943	1.2
97.06496	0.8
97.10191	1.3
99.04388	0.5
105.07042	1.6
107.08598	1.8
109.02930	0.7
109.06577	0.6
109.10162	1.7
111.08115	0.6
112.16739	0.5
117.03391	17.2
119.08574	1.3
121.10167	1.8
125.09630	1.0
127.03931	5.3
131.08595	0.7
133.06586	0.5
133.10123	1.1
134.03606	0.8
135.04398	1.0
135.08076	1.0
135.11691	1.0
137.09590	0.8
145.02859	50.8
147.11737	0.8
149.05989	5.5
151.11258	0.7
153.09123	0.5
159.08026	0.9
163.03932	1.0
171.73076	0.6
177.05486	100.0
178.05901	0.7
186.05525	2.3
243.17503	0.8
261.07788	0.7
271.16968	1.3
281.46948	0.5
289.17896	1.1
303.19528	0.8
303.23282	1.0
321.09763	2.5
339.10803	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	339.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.3
55.01881	0.4
55.05484	0.2
57.03434	0.8
61.02934	0.3
65.03947	2.9
67.05496	0.5
68.99798	0.5
69.03439	5.5
69.07072	0.3
71.04996	1.4
71.51617	0.3
72.26423	0.2
73.02915	0.3
79.05499	0.7
81.03426	9.8
81.07051	0.8
83.05003	0.6
83.08594	0.2
85.02910	4.6
87.00842	1.6
89.03917	0.4
91.05488	100.0
92.05807	0.4
93.07057	0.4
95.04971	0.6
95.08637	0.4
97.02905	1.6
98.97574	0.2
99.04463	2.6
105.01891	0.4
105.07053	0.8
107.04964	0.3
107.08606	0.4
107.17110	0.2
108.43619	0.2
109.02892	7.2
109.10138	0.2
111.04443	0.6
117.03405	0.7
117.07044	0.7
119.08592	0.3
120.08141	0.5
121.10188	0.5
122.06004	0.4
123.04490	0.3
123.08116	0.3
127.03928	12.3
129.01859	0.4
129.07043	0.5
131.08589	0.5
131.53345	0.2
133.06551	0.2
133.10162	0.3
135.08109	0.2
138.05481	0.2
143.08536	0.3
145.02870	2.4
145.06572	0.3
147.04370	0.3
149.06024	0.6
149.09613	0.4
149.13353	0.2
155.04955	0.3
159.11713	0.3
162.05563	0.6
164.07159	0.3
171.08150	0.4
171.29256	0.2
177.05489	5.9
181.06540	0.2
190.05182	0.3
193.12373	0.3
194.12656	0.5
195.02925	0.2
199.07596	0.6
213.04066	0.3
217.08670	0.4
231.04997	1.0
233.12796	0.2
261.12476	0.3
268.16275	0.4
279.13477	0.4
286.17343	0.3
321.10031	0.3
321.13867	0.5
339.08365	0.3
339.15366	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1077
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	1.4
55.05510	0.6
57.03426	0.9
67.05498	0.6
69.03431	7.9
69.07054	0.9
69.43063	0.6
69.43481	2.1
70.98382	0.4
71.04990	1.1
72.08144	1.5
73.02897	1.2
74.43559	0.4
79.05539	0.5
81.03427	5.6
81.07073	0.8
85.02890	1.4
88.64095	0.3
89.03927	4.3
91.05483	0.8
93.07037	1.1
95.04963	0.6
95.08610	0.8
97.02900	5.0
97.06544	0.5
98.21545	0.7
99.03847	0.6
99.04456	8.8
101.02386	0.7
105.07056	0.6
107.08553	0.4
107.87962	0.4
109.02889	5.8
117.03387	17.3
118.08626	0.4
120.08081	0.7
121.06495	0.5
121.10204	0.3
127.02985	0.8
127.03925	15.9
131.08586	0.5
134.03604	1.0
135.04437	0.8
135.08029	0.4
145.02853	46.3
147.04459	0.7
149.05995	6.5
163.03896	0.6
177.05478	100.0
178.05861	0.7
186.05510	1.0
195.06516	2.0
231.25351	0.4
249.07619	0.6
250.10220	0.4
321.09756	2.1
339.04880	0.5
339.11057	3.6
362.03922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03930	4.1
53.51222	2.4
55.01863	4.3
55.05508	14.3
57.03429	7.2
57.07056	7.0
57.63245	2.1
65.03923	3.2
66.47588	2.2
67.05507	85.8
69.07056	14.4
69.17933	22.1
71.04999	2.3
72.54337	2.2
79.05071	3.4
79.05499	47.7
81.07059	100.0
83.04959	2.8
83.08613	10.5
85.06515	4.2
91.05486	31.6
91.59825	2.8
93.06495	3.5
93.07049	55.8
95.04946	3.9
95.08613	82.4
97.06522	6.7
97.10149	8.7
97.10719	2.3
97.55462	2.3
98.21460	4.9
99.08064	3.0
105.07035	27.4
107.07874	3.3
107.08595	45.4
109.06522	9.1
109.10167	48.9
111.08114	3.3
117.07005	7.7
119.08587	27.6
121.10147	49.0
123.08071	5.0
123.11695	19.8
131.08582	25.4
133.10147	24.5
135.08101	2.9
135.11694	31.4
137.13272	4.2
139.11205	3.5
145.10112	23.4
147.11688	23.8
149.09729	2.8
149.13239	24.5
151.11180	2.9
157.10194	3.3
159.11671	18.3
161.13289	5.6
163.11214	3.1
163.14857	6.8
165.12743	2.8
173.02380	8.7
173.13264	15.8
175.11249	4.2
177.12819	4.4
185.79640	2.3
187.14833	5.2
215.07071	5.1
219.21082	5.8
229.19527	30.4
247.20584	80.8
265.21613	4.4
283.16913	30.6
289.17749	2.9
321.24072	11.6
322.26794	2.3
339.15958	2.4
339.25552	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	2.8
55.01882	1.6
55.05512	42.1
57.03429	2.2
57.07079	10.2
59.04992	5.2
65.03955	2.1
67.05145	1.6
67.05506	32.9
69.03426	6.2
69.07068	57.3
70.77151	3.5
71.04987	5.7
72.75881	1.4
79.05494	14.8
81.03442	1.8
81.07056	100.0
83.04986	15.6
83.08617	11.0
85.06545	5.9
89.77461	1.5
91.05482	7.7
93.07042	42.7
95.04966	13.0
95.07993	3.5
95.08607	72.8
97.06544	14.3
97.10169	37.7
98.21363	1.5
99.08097	3.4
101.06004	2.6
105.07032	18.0
107.08591	33.3
107.58278	1.8
109.06546	8.2
109.10158	43.1
111.08100	14.8
111.08844	1.8
111.11713	15.4
113.06007	1.9
119.08585	12.9
121.06502	1.7
121.09332	2.9
121.10151	37.7
122.81963	1.5
123.08081	4.4
123.11720	33.4
125.05999	3.2
125.09625	4.2
131.08588	2.9
133.10120	10.6
135.11691	28.5
137.09616	5.2
137.13263	11.1
139.10115	2.3
139.11179	37.3
141.09117	1.8
145.02831	2.8
145.10136	6.9
147.11687	17.1
149.13232	5.8
151.11139	4.2
153.12727	15.3
157.12260	25.8
159.11693	8.6
161.13234	6.7
163.11198	8.1
163.14815	3.5
165.12732	8.9
169.12218	2.9
171.13789	3.4
173.13257	3.1
175.14735	2.5
177.05493	5.7
177.12787	2.4
177.16400	2.8
181.12262	3.6
185.11790	2.4
187.14853	3.8
191.14244	1.9
191.17993	2.9
201.16431	2.8
203.12752	5.0
203.17949	3.4
205.15997	2.0
219.17435	2.6
223.16869	3.2
247.13637	1.7
275.23706	9.1
277.21695	3.2
285.22073	2.3
291.23187	4.0
293.24728	12.2
295.22708	2.4
303.23227	31.7
304.33621	1.8
309.24304	2.0
321.24271	30.2
339.25327	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.253
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
52.74458	1.6
53.03927	2.2
55.01857	6.0
55.05513	42.9
57.03423	4.1
57.07075	17.8
59.04999	4.0
67.01585	1.5
67.05502	23.1
69.03453	7.6
69.07070	79.8
69.85094	8.3
70.49653	1.6
71.04980	5.4
71.08633	2.0
73.06551	2.9
77.66233	1.5
79.05490	16.4
81.07056	100.0
83.04981	10.3
83.08617	8.9
85.06538	21.3
90.56765	2.1
91.05479	8.3
93.06488	2.7
93.07045	34.0
95.04975	12.3
95.07994	1.8
95.08611	59.5
97.06535	16.2
97.10175	69.9
99.04446	2.2
99.08090	7.5
101.05999	6.8
105.07031	17.4
105.23265	1.5
107.08603	21.5
109.06483	10.3
109.10155	21.5
110.43695	1.6
111.08085	25.4
111.11720	27.2
113.09631	1.9
114.01958	1.9
115.11190	4.4
117.07027	2.1
119.04868	1.8
119.08573	13.5
121.06518	3.2
121.10149	31.3
123.08098	4.3
123.10829	3.5
123.11706	53.4
125.09629	4.4
131.08578	4.0
133.10101	8.6
134.60640	1.8
135.08081	1.9
135.11702	18.2
137.05991	3.6
137.09608	3.8
137.13251	14.3
139.11180	73.4
141.12711	3.1
142.17168	1.7
143.08595	1.7
145.02856	5.6
145.10117	6.4
147.11674	18.6
149.09578	3.5
149.13281	4.5
151.11179	7.3
153.12753	11.8
155.14282	1.9
157.10251	2.5
157.12248	45.8
159.11679	7.3
161.13277	6.3
163.11198	5.2
163.14755	2.7
165.09064	3.3
165.12772	12.7
169.12245	3.3
173.13257	2.6
175.14783	2.5
177.05502	17.6
177.12552	1.6
179.10643	1.7
181.12213	2.2
181.15820	2.5
187.13292	3.1
191.17857	1.7
195.17458	2.5
201.16470	3.1
203.12834	7.6
205.15953	2.9
219.17444	2.4
223.17036	2.5
229.15919	1.8
233.15378	3.5
237.18527	1.9
251.16440	6.7
257.22662	3.4
275.23654	10.7
277.21936	1.9
285.22144	4.7
293.24658	5.1
303.15799	3.8
303.23199	38.2
315.98087	1.8
321.17105	5.1
321.24222	58.5
339.17914	2.9
339.25253	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03947	2.6
55.01876	3.2
55.05516	40.6
57.03429	3.0
57.07074	10.7
59.04998	3.4
65.03935	1.5
67.05512	25.9
69.03450	9.4
69.07076	70.9
71.05003	6.6
71.08642	1.8
73.06527	1.3
79.05502	19.8
81.03423	2.1
81.07062	100.0
83.04984	14.8
83.08633	9.3
85.02924	2.2
85.06556	15.6
89.03928	1.5
91.05498	9.7
91.30318	1.1
93.07054	42.0
93.07643	2.2
95.04986	9.8
95.05539	1.4
95.08616	62.5
97.02902	2.9
97.06538	14.4
97.10177	58.9
99.04454	1.8
99.08089	7.1
101.06014	3.6
105.07047	17.8
105.07714	2.1
107.08595	26.9
107.09303	1.6
109.02895	1.5
109.06530	12.9
109.10165	30.7
111.08099	20.0
111.11720	20.8
113.09567	1.2
115.11249	3.0
115.17440	1.1
117.03409	4.8
117.07018	2.6
119.08587	16.6
119.70945	1.3
121.06534	3.4
121.09333	2.2
121.10158	35.0
123.08066	6.3
123.11717	42.4
125.06015	2.8
125.09670	6.1
127.07569	2.0
131.08571	5.2
133.10132	9.4
135.04416	4.9
135.08089	3.7
135.11703	25.3
137.06001	3.9
137.09616	5.1
137.13275	12.0
139.10112	2.6
139.11188	49.8
141.12724	2.3
143.08578	1.3
143.10690	2.1
145.02861	15.0
145.10121	9.9
147.08064	2.2
147.11690	18.4
149.06006	3.2
149.09636	4.3
149.13187	5.6
151.07559	6.2
151.11183	6.4
153.12759	10.4
155.10692	1.6
157.10182	1.9
157.12241	30.0
159.11737	7.4
160.05228	3.4
161.09569	1.6
161.13261	7.3
163.11203	7.0
163.14813	2.5
165.09077	2.4
165.12767	10.2
171.13860	2.8
173.11949	1.1
173.13345	4.6
175.11185	1.6
175.14815	3.3
177.05479	29.9
177.12791	4.4
177.16446	1.8
179.14394	1.9
181.04987	4.2
181.12233	1.9
183.13684	1.5
187.13287	2.6
187.14908	3.1
189.16345	2.0
191.14290	1.5
191.18002	1.7
195.17445	2.2
201.16383	3.2
203.12701	7.1
205.15945	2.2
207.13760	1.8
211.14771	1.4
215.17976	1.6
219.17513	1.9
221.19142	2.2
223.16977	2.9
227.17859	1.7
228.96947	1.3
229.15916	1.9
232.57115	1.4
233.15387	2.8
233.19127	1.5
237.18544	2.1
247.17058	4.1
251.16345	2.9
257.22589	3.0
258.56714	1.4
275.16440	16.8
275.23709	7.9
277.21844	1.6
285.14847	1.5
285.22321	3.3
291.23181	3.3
293.17487	11.9
293.24649	6.8
296.56879	1.3
303.15970	7.0
303.23181	35.0
309.24408	1.8
310.38812	1.3
321.17142	6.5
321.24268	43.0
339.18317	2.1
339.25314	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	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03938	8.3
53.68585	3.7
55.01869	4.1
55.05516	42.8
57.07072	9.9
67.05512	45.7
69.03425	20.9
69.07068	74.1
71.01361	3.3
71.04984	17.8
79.05500	37.3
81.06590	6.8
81.07059	99.7
83.04985	8.7
83.07555	3.6
83.08625	21.3
85.06556	5.9
87.04473	4.3
91.05495	29.0
93.07043	100.0
95.01888	3.3
95.04964	50.2
95.08610	97.9
97.06538	16.4
97.10178	30.8
98.20795	11.5
99.14357	4.0
101.92691	3.8
103.16425	3.2
105.07035	44.8
107.04958	4.0
107.08599	66.9
109.06524	17.2
109.10166	65.9
111.04394	3.4
111.08105	18.8
111.11721	10.3
117.03378	16.3
117.07043	8.6
119.08579	39.5
121.06544	6.7
121.10143	85.4
123.08135	6.1
123.11721	35.9
125.09624	19.7
127.03907	4.5
127.07594	4.0
128.06294	4.2
131.08537	10.5
133.10150	29.6
135.08067	6.7
135.11697	45.5
137.09621	10.3
137.13260	11.3
139.11208	19.1
145.02832	34.7
145.10138	17.3
147.11697	34.7
147.54089	4.5
149.05984	7.7
149.09659	4.3
149.13269	19.5
151.11206	10.3
153.12762	22.2
155.08521	3.6
157.10114	5.7
157.12196	10.1
159.11707	22.9
161.13280	12.7
163.11148	10.1
163.14833	6.7
165.12749	8.0
169.12247	3.9
171.13820	9.8
173.13269	4.0
175.14873	12.0
177.05486	89.8
177.12895	4.8
179.10707	4.8
179.14305	4.3
181.12177	5.9
187.14835	5.6
189.12674	5.1
195.06520	3.5
201.16319	4.7
211.14919	5.0
217.19460	3.8
223.74979	4.4
257.22726	9.5
267.21140	4.8
271.16943	3.7
273.22073	4.7
275.23685	23.5
285.22128	6.0
289.17828	5.7
291.23196	19.2
293.24756	27.0
303.15961	4.9
303.23221	77.5
309.24219	8.4
321.24228	39.5
322.41599	4.5
337.89551	4.2
339.25403	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	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03949	6.7
53.26019	2.1
53.45140	1.9
55.05519	17.0
57.03449	10.0
57.07079	4.7
64.06493	1.9
65.03965	2.0
67.05511	85.1
69.03449	2.6
69.07076	16.8
71.04981	4.3
73.03379	1.8
79.05496	39.6
81.03422	6.0
81.07066	100.0
83.04987	10.6
83.08626	8.3
85.06545	6.5
89.16275	2.0
91.05492	25.7
93.07050	59.4
95.04982	6.7
95.08615	82.4
97.06535	5.0
97.10174	6.5
99.08133	2.0
105.07040	25.0
107.04968	6.0
107.07883	3.0
107.08603	43.6
109.06519	9.0
109.09473	4.1
109.10172	47.8
111.04453	6.6
111.08103	3.4
113.06009	2.8
117.07029	9.2
118.75235	1.9
119.08586	20.8
121.06517	2.3
121.10151	42.4
123.08073	6.4
123.11726	23.0
124.12077	1.9
125.05941	2.8
125.09648	4.6
129.07040	2.2
131.08568	19.1
133.06488	2.6
133.10126	20.4
135.08116	3.3
135.11693	30.9
137.09622	4.6
137.13240	6.6
137.73982	2.1
145.10121	20.0
147.11702	17.5
149.13266	24.6
151.11195	5.0
153.12769	2.6
157.10194	2.7
159.11743	18.5
161.09711	3.7
161.13248	4.5
163.14839	7.5
165.12724	3.0
169.10010	2.5
173.13216	14.4
175.11234	3.3
175.14885	3.3
177.12802	6.7
187.14919	4.2
205.12344	2.1
205.15936	4.8
219.21080	5.4
223.13411	3.0
229.15518	2.5
229.19511	29.6
233.15430	2.5
241.14508	4.1
247.20592	80.6
261.18488	4.0
265.21750	6.1
271.16910	3.2
283.16864	21.2
285.21930	2.4
286.22467	4.2
289.17908	15.7
303.23099	4.9
304.23535	26.3
321.20612	16.0
321.24310	21.9
339.25510	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2895
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03954	0.8
55.01871	0.8
55.05515	26.2
57.03440	13.1
57.07077	11.7
59.79404	0.3
64.53114	0.4
65.03933	0.8
67.05507	19.5
69.03429	0.4
69.07072	31.4
69.37431	1.0
69.37856	2.1
71.04980	1.6
71.08635	6.2
76.61786	0.4
79.05495	7.9
81.07062	20.7
83.04980	0.7
83.08620	22.7
84.79333	0.3
85.06538	1.2
85.10191	2.5
91.05474	1.5
91.69674	0.4
93.06487	0.7
93.07050	10.9
95.08609	19.8
97.06521	3.3
97.10175	14.0
99.08081	0.7
100.26820	0.4
105.06982	0.5
107.08592	6.6
109.10158	8.0
111.08104	2.5
111.11719	3.8
113.09588	0.7
121.10152	10.4
123.11707	2.9
125.09641	2.2
125.13272	0.8
135.11707	8.4
137.13260	1.3
139.11176	1.7
149.13268	3.5
151.14827	0.6
153.12691	0.5
155.02592	0.4
163.14822	1.2
165.16389	0.8
177.16374	0.5
179.17953	0.4
181.16017	0.6
191.17915	0.4
201.54706	0.4
205.29955	0.5
221.16673	0.4
247.24329	1.9
265.25281	3.5
311.31470	0.3
339.28946	100.0
340.29239	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
53.04179	1.1
55.01887	6.8
55.40371	1.1
57.03438	7.1
61.02934	5.6
68.37312	1.1
68.99801	2.1
69.03434	35.3
70.06596	2.4
71.04994	4.6
73.02911	4.6
73.06557	2.1
79.49995	1.2
81.03427	20.8
83.04970	1.6
84.04510	1.5
85.02911	100.0
86.09686	1.4
87.00833	53.2
91.03952	1.3
97.02899	36.8
99.04460	13.1
103.03991	1.2
105.01871	88.4
108.04495	3.1
109.02886	28.7
116.38283	1.5
117.01867	1.5
120.08081	1.2
120.38860	1.2
127.03925	80.7
129.01868	2.6
130.05040	2.6
136.06183	1.8
143.06995	1.3
145.04970	34.5
147.02861	1.3
147.04439	4.3
147.09167	1.1
148.04770	5.1
159.02913	10.9
177.05473	1.7
178.05788	2.1
189.03937	3.6
192.03343	1.4
193.12164	1.3
211.13365	1.8
213.03952	2.8
231.05014	25.2
248.07558	1.6
249.06108	11.4
340.09808	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	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.8
55.01628	1.1
55.01866	8.7
55.05507	1.7
57.03429	4.7
61.02930	8.2
68.99780	2.7
69.03434	40.5
69.72801	1.3
69.95982	6.6
71.04993	5.6
73.02924	8.1
81.03425	27.5
84.04483	4.0
85.02911	100.0
87.00317	2.7
87.00833	46.4
87.04445	1.4
91.03962	1.6
95.08552	1.3
97.02900	33.9
99.04459	16.0
105.01874	82.9
108.04498	1.7
109.02886	26.4
115.03921	1.6
117.01872	2.5
117.03362	1.9
118.03697	2.9
127.03928	82.9
128.04291	1.8
129.01813	2.1
130.05034	6.5
130.66434	1.4
145.02882	6.5
145.04971	40.8
146.03226	6.9
147.02823	2.8
157.10225	1.7
159.02902	12.7
177.04007	2.5
177.05417	12.8
178.05838	19.9
189.03995	2.9
192.73790	1.2
193.12227	2.0
211.13226	3.4
213.03947	2.5
231.05016	27.3
248.07762	1.8
249.06134	9.6
317.49982	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76671	1.4
53.03943	4.9
53.67186	1.4
55.01874	5.3
57.03431	4.5
61.02924	5.4
69.03435	40.1
70.68377	3.1
70.68785	3.0
71.04989	4.2
73.02917	5.5
77.70579	1.6
81.03416	21.9
85.02912	100.0
87.00836	49.3
91.05519	1.7
97.02904	30.9
98.97570	2.4
99.04466	10.5
105.01877	91.2
108.04464	1.9
109.02892	24.1
115.03953	2.5
117.01849	2.0
117.39279	1.5
119.04966	2.2
123.39079	1.7
125.51607	1.5
127.03926	76.4
129.01793	3.0
130.05016	1.7
145.04977	35.3
145.06050	1.3
147.02847	1.7
147.04424	7.3
148.04768	4.1
159.02928	8.5
169.86934	1.6
177.05402	1.7
178.05820	3.0
189.03958	3.9
213.03963	1.7
231.05057	26.2
249.06099	10.8
257.51059	1.6
326.25903	1.8
340.13620	4.8
358.08026	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	7.1
55.05514	24.1
57.03426	9.0
57.07079	4.3
59.50915	3.0
67.05514	53.6
69.03422	4.8
69.07064	12.2
70.03204	12.4
71.04981	3.4
79.05499	20.9
81.03422	3.7
81.07063	56.9
83.04984	91.7
83.08622	7.4
85.06548	7.9
88.07637	4.3
89.79957	2.9
91.05478	34.8
93.07052	35.4
95.04971	7.3
95.08623	23.7
97.06523	4.8
98.20804	3.8
105.07044	37.5
107.04980	3.3
107.08591	41.5
107.66929	3.0
109.06520	7.1
109.10167	54.8
111.08089	4.2
117.07020	6.1
119.08591	7.3
121.10146	9.3
123.08069	9.9
123.11744	18.6
129.07007	3.6
131.08601	9.9
133.06477	6.5
133.10130	100.0
135.08028	7.6
135.11746	2.8
145.10133	4.2
147.08083	5.2
147.11732	4.6
149.09624	9.4
151.11192	87.8
161.09657	6.1
168.85378	2.9
177.09146	10.5
179.10728	15.5
183.13831	32.5
245.19006	3.3
249.72543	3.0
266.70380	3.3
271.22876	3.2
273.18497	14.2
284.17303	3.6
291.19543	12.5
292.73132	3.1
305.21146	17.6
323.21869	3.8
340.35852	16.5
340.39313	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	340.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	6.6
57.03441	1.9
57.07069	1.8
62.06093	100.0
67.05508	14.4
68.68981	1.0
69.07063	6.2
69.91317	2.1
69.91717	3.6
71.08636	20.8
79.05492	6.1
81.07061	19.8
83.04992	1.0
83.08614	4.4
87.04466	1.2
91.05486	5.8
93.07043	7.5
94.07337	1.2
95.08610	14.0
96.08973	1.1
97.06529	1.2
97.10213	1.9
98.06049	2.3
98.20863	1.1
99.08101	13.3
105.07061	4.9
107.08601	4.1
109.10138	5.2
109.78162	0.9
119.08580	3.7
121.10150	3.8
131.08588	3.0
133.10133	1.7
134.10510	1.3
135.08096	1.1
135.11676	2.7
137.09628	1.1
137.13248	1.6
145.10213	1.7
147.11711	5.8
149.13240	2.2
152.90495	1.0
153.12767	0.9
161.13248	1.1
163.11244	1.6
163.14815	2.1
165.12807	1.5
173.13298	1.2
181.15820	1.6
192.32776	1.0
198.25594	1.0
224.20145	5.4
238.14806	1.2
240.19841	1.0
242.21178	9.7
243.21169	2.1
261.22153	2.9
279.23123	6.2
290.18219	1.0
290.42676	1.0
298.40176	0.9
305.21042	2.1
322.27414	83.1
323.25595	6.0
340.16351	2.1
340.28476	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	341.0869
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.43292	0.2
55.01863	0.5
57.03421	0.3
59.94464	0.3
67.05473	0.3
69.03427	1.1
69.07108	0.3
70.06593	0.3
71.15630	0.3
71.51442	0.4
75.02705	0.5
77.03931	0.3
81.03411	0.8
84.08119	0.4
85.02908	2.9
86.09681	0.3
87.00797	0.3
89.03934	0.3
95.04998	0.4
97.02895	1.3
97.06520	0.3
99.04478	0.3
103.68925	0.3
105.03397	0.7
105.11267	0.3
107.04951	0.3
109.02865	0.8
119.08591	0.6
123.04435	8.3
127.03908	1.0
133.02861	8.7
135.04381	1.3
136.06190	1.2
137.06517	0.3
144.07416	0.3
145.04944	0.4
151.03915	3.5
179.03400	100.0
180.03725	0.6
182.24106	0.3
263.45050	0.3
334.04004	0.3
341.08612	2.2
341.12289	0.5
341.16669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79166	0.5
57.03425	0.9
60.42877	0.6
69.03425	4.2
71.50358	0.8
73.02936	0.7
73.04750	0.7
81.03426	0.9
81.07066	0.7
84.08142	1.7
85.02911	7.1
97.02888	2.1
98.06066	1.2
98.38187	0.6
101.00893	1.0
112.07609	17.4
119.01945	1.0
122.04623	0.6
127.03944	1.8
134.93857	0.6
140.05524	3.0
145.05032	1.4
152.05614	1.1
158.06636	23.5
170.06618	4.3
173.02966	0.8
176.07695	8.5
185.02965	1.1
188.07681	10.9
200.07744	1.0
207.80966	0.6
211.09320	0.8
212.07687	32.6
213.07919	0.7
225.10835	9.7
230.08734	18.5
233.11327	0.8
237.02388	0.7
239.12422	1.8
243.12030	3.1
245.05083	2.1
251.12424	50.9
252.12666	1.2
255.03554	1.3
263.12418	24.4
265.14197	0.9
269.13437	19.0
281.13470	100.0
281.88101	0.6
282.13785	1.3
295.15018	1.6
304.15024	2.0
341.15628	2.4
359.02957	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01869	2.7
55.05515	17.3
55.72502	1.1
57.03438	1.3
57.07075	1.1
57.07813	1.1
67.05514	12.9
69.03416	3.3
69.07077	7.6
69.70278	6.5
71.05006	2.4
75.04477	1.2
79.05492	10.7
81.03419	6.6
81.07067	17.2
83.04986	3.1
83.08617	8.1
85.02896	2.5
85.06538	1.8
91.05472	13.5
93.07051	18.5
95.04977	6.9
95.08613	10.2
97.06540	2.9
97.10178	12.2
99.08054	1.0
100.11262	5.1
101.11587	1.4
103.05505	1.4
105.03400	1.3
105.04609	1.5
105.07010	7.0
106.80346	1.3
107.04966	59.2
107.08609	11.4
109.06532	10.2
109.10152	6.2
111.08081	4.8
113.06047	1.2
117.06980	3.5
119.08596	6.2
121.06496	5.9
121.10165	5.2
123.04417	2.0
123.08067	4.1
123.11702	3.7
125.09654	10.4
129.06955	1.7
131.03448	1.3
131.08588	3.6
133.06451	2.9
133.10132	3.7
135.08064	100.0
135.11696	2.4
137.05994	22.3
137.09628	3.9
139.07553	14.1
143.08556	1.3
145.06419	1.2
145.10126	1.5
147.04364	1.8
147.08031	3.1
147.11691	2.2
149.06042	6.0
149.09601	2.5
149.13326	1.5
151.07567	3.9
153.09120	5.8
157.10138	2.3
159.08022	1.8
161.05984	3.1
161.09634	2.0
163.07640	1.4
165.12747	2.0
169.08611	2.0
171.08104	1.7
173.11745	2.7
175.07576	5.2
175.11221	2.5
177.09151	1.6
179.07002	3.0
180.06631	1.3
182.15480	1.4
189.09163	1.9
189.11229	6.8
189.16525	1.0
193.12230	4.1
210.14879	2.0
213.16316	1.5
219.19156	1.1
224.34798	1.3
241.15768	1.1
259.16937	5.4
269.15384	1.9
277.17953	1.5
277.23026	1.3
278.10818	3.5
287.16431	14.1
305.17560	13.4
305.24796	2.3
309.04031	1.2
323.18716	1.5
337.23746	1.8
340.76010	1.3
341.13190	2.0
341.16306	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21859	3.9
53.03927	3.3
55.05516	29.6
66.03724	3.4
67.05506	21.2
69.07066	16.4
69.35908	29.5
70.37494	4.1
71.05004	5.3
72.31237	3.3
79.05486	14.6
80.99947	4.4
81.03419	4.5
81.07058	37.8
83.04950	9.6
83.08611	12.4
85.06541	5.0
91.05475	18.8
93.07053	32.1
93.28408	3.6
95.04960	11.2
95.08616	42.3
97.06518	8.8
97.10191	21.4
99.08075	3.8
105.07001	22.3
107.08580	23.8
109.06538	3.9
109.10168	28.4
111.04458	6.6
111.08134	3.6
115.07535	4.6
117.07100	4.9
119.08590	18.7
121.06432	4.5
121.10182	26.7
123.08064	19.2
123.11745	10.8
125.09632	20.6
129.06973	4.1
131.08551	10.9
132.67664	4.2
133.10153	16.7
135.11708	12.8
137.09612	8.1
143.08566	5.1
145.10094	12.9
147.08072	5.7
147.11655	14.2
149.09662	4.3
149.13251	15.7
157.10118	5.9
159.08109	5.3
159.11725	11.0
161.13252	11.8
163.14832	9.5
165.09052	4.2
171.11647	6.5
173.13229	8.9
175.14760	4.7
177.16443	5.9
177.92790	3.4
179.14253	5.0
181.12421	4.2
185.13264	5.6
187.14828	5.2
189.11229	13.8
189.12778	4.6
189.16423	14.9
189.49088	3.2
201.16385	4.2
207.17422	31.9
213.16409	6.8
217.19447	6.5
231.17462	12.9
257.22638	5.2
269.22614	12.1
273.18420	3.6
275.23749	5.8
287.23679	29.0
291.19519	22.8
293.24695	12.6
305.24802	25.6
323.25891	7.6
341.21188	10.4
341.25012	5.9
341.28552	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62836	3.7
53.03938	4.7
55.01863	12.4
55.05513	41.4
57.03436	6.5
57.07074	9.3
62.36248	3.7
67.05502	35.1
69.03419	9.7
69.07075	25.6
70.63863	4.1
70.64207	10.9
71.04995	9.3
77.03918	4.2
79.05499	37.0
81.03423	8.4
81.07058	50.5
83.04967	6.8
83.08636	22.9
85.02896	4.5
85.06545	5.8
91.05482	27.0
93.07039	56.8
95.04981	22.1
95.08623	48.1
97.02882	6.0
97.06516	17.3
97.10166	36.9
98.10496	3.6
98.97610	4.0
99.08056	3.6
100.11231	8.9
105.07028	31.1
107.04971	4.9
107.08591	42.8
109.02853	4.0
109.06513	14.9
109.10162	29.1
111.04398	3.7
111.08054	28.9
113.05978	4.8
115.05491	4.7
115.07531	4.6
117.07016	8.2
119.08590	26.0
121.06512	11.6
121.10136	26.9
123.08063	14.9
123.11698	14.6
125.09656	28.1
129.07053	5.4
131.08542	11.0
133.06480	8.8
133.10133	23.7
135.08080	19.5
135.11691	9.1
137.05974	9.5
137.09615	5.3
139.07530	16.1
139.11183	6.4
140.47537	3.2
143.08577	8.9
143.10620	5.7
145.10130	13.8
147.07990	5.9
147.11688	12.1
149.02338	5.7
149.05931	9.1
149.09615	5.4
149.13237	15.3
151.07564	15.4
151.11195	5.1
153.09123	13.8
157.10121	10.3
159.11661	9.6
161.05922	6.8
161.09607	5.5
161.13274	7.6
163.11212	5.0
163.14807	11.0
167.10710	5.2
171.10190	5.0
171.11639	6.2
173.13234	8.7
175.14781	5.6
177.09113	4.6
185.13217	5.3
187.14793	4.3
189.09688	3.7
189.11223	26.5
189.16406	15.9
191.18036	4.7
205.15866	6.6
207.17455	55.9
213.16284	3.9
227.12798	100.0
241.15976	6.4
259.16861	8.8
269.15277	7.2
269.22556	6.8
277.17905	4.8
281.97476	4.0
287.16428	37.5
287.23636	8.7
291.95224	3.5
305.17569	29.9
305.24799	26.6
323.25711	12.5
341.21426	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	341.2686
Annotation	(E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol
Peak:m/z	Relative Intensity
50.18387	2.8
53.23715	3.1
55.01870	7.1
55.05515	25.4
57.03431	6.6
57.07073	7.9
67.05515	32.7
69.03421	3.9
69.07073	50.7
70.06612	3.6
71.04987	10.4
71.08662	3.7
71.51996	6.6
79.05503	19.4
81.03428	6.4
81.06597	4.7
81.07066	87.1
83.04961	3.9
83.08623	18.3
84.37383	3.0
85.06537	12.4
87.80546	3.5
91.05489	13.5
93.07052	38.0
94.37493	3.0
95.04954	13.3
95.08612	100.0
97.02905	3.4
97.06528	14.3
97.10149	20.5
105.07069	15.9
107.04950	3.9
107.08598	36.3
107.91327	3.7
109.06508	10.7
109.10171	41.4
111.08109	39.1
111.11758	6.8
117.07039	4.4
119.08557	11.2
121.10167	19.5
123.04471	3.4
123.08083	6.0
123.11725	51.3
125.09615	7.9
129.06989	4.3
131.08533	4.3
133.10118	10.0
135.08073	4.4
135.11708	24.6
137.05937	4.0
137.13228	13.4
139.11194	12.1
140.77425	3.1
145.10127	6.7
147.11711	8.8
149.09665	4.5
149.13275	31.7
151.11229	4.1
153.12732	7.3
155.14548	3.3
157.12245	8.5
159.11646	4.6
162.50433	4.0
163.04205	3.5
163.14839	6.5
169.12282	4.5
173.13176	3.7
181.14021	4.4
189.12675	5.1
227.12830	5.2
258.47726	3.6
277.25308	4.0
287.16534	4.3
287.23615	4.8
293.24707	10.1
305.24753	60.1
323.25751	26.0
341.06403	5.5
341.10229	6.3
341.14249	4.4
341.21188	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	341.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
53.58372	1.8
55.01869	2.4
55.05511	23.6
56.96550	2.6
57.03439	3.2
57.07059	7.3
61.65078	2.5
65.03909	1.8
67.05508	24.5
69.03410	4.5
69.06740	3.0
69.07079	45.0
70.06590	2.8
70.41413	1.9
71.04984	3.7
71.53140	2.2
72.22511	1.9
79.05506	17.5
79.30859	2.0
81.07060	89.1
83.04959	4.3
83.08614	9.8
85.06554	9.6
91.05477	8.1
93.07051	28.8
95.04945	4.6
95.08611	63.1
97.06532	9.0
97.10172	34.7
98.97587	2.7
105.07058	13.7
107.08604	35.4
109.06519	2.3
109.10170	32.1
111.08080	12.9
111.11752	10.2
116.07096	8.4
119.08599	11.9
119.34709	2.0
121.10148	26.8
123.08117	2.3
123.11715	100.0
125.09606	4.8
133.10129	9.5
135.11726	10.2
137.13255	15.3
139.11198	22.4
145.10121	4.0
146.94925	2.1
147.11676	8.7
149.13275	34.4
151.30743	2.0
153.12747	4.6
155.14342	2.0
157.12282	19.0
159.11644	2.8
161.13263	4.5
163.14798	7.1
165.12704	3.3
173.13173	2.1
175.14822	4.5
177.16333	2.9
182.86514	1.9
203.12747	5.6
203.17914	3.1
217.19440	2.8
228.24837	1.9
235.10846	2.5
249.18587	4.6
259.24100	2.6
269.10571	5.1
277.25287	5.2
287.11511	2.4
287.23596	3.8
293.24719	12.6
305.24734	42.2
323.25821	13.2
340.65576	5.5
341.20953	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	341.2689
Annotation	(E,E,E)-3-(Hydroxymethyl)-7,11,15-trimethyl-2,6,10-hexadecatriene-1,14,15-triol
Peak:m/z	Relative Intensity
51.11077	1.3
53.03934	2.6
55.01871	4.5
55.05516	27.4
57.03424	2.9
57.07073	10.3
59.04992	2.9
65.03942	2.0
66.91727	1.4
67.05505	31.1
69.03435	7.2
69.07071	56.9
70.27425	1.1
71.02749	2.5
71.04995	6.4
71.08633	3.3
73.06555	2.4
73.94859	1.0
79.05489	17.2
80.24789	1.2
81.07060	86.8
83.04976	4.7
83.05424	0.9
83.08624	14.1
83.65530	0.9
85.06552	11.3
91.05490	8.4
92.56547	1.0
93.07047	47.5
95.04980	5.9
95.08613	100.0
97.06533	13.0
97.10176	30.4
99.04429	1.6
99.08115	6.5
105.07038	13.5
107.04939	1.1
107.08600	43.3
107.30476	1.0
109.06521	4.7
109.10162	30.6
111.08090	42.5
111.11720	12.1
113.06090	1.2
113.09647	1.9
115.07572	1.4
115.11224	1.7
119.08588	11.7
121.06477	1.9
121.10153	31.2
123.08101	4.3
123.11716	55.7
125.09627	6.6
129.06975	1.4
131.08601	2.4
131.39059	1.0
133.10121	9.1
135.08035	2.8
135.11697	19.8
137.09674	2.9
137.13264	16.8
139.11186	26.9
141.09137	1.6
141.12766	2.0
145.10130	3.0
147.11688	8.5
149.09651	1.4
149.13269	45.1
151.11205	5.3
151.14810	2.0
153.12756	11.4
155.10687	1.4
155.14290	3.7
157.10194	1.9
157.12248	17.4
159.11650	2.6
161.09644	1.3
161.13316	5.4
163.14810	7.5
165.12766	2.9
167.10699	1.5
167.14323	4.3
169.02663	1.5
169.12247	2.8
171.13805	4.4
173.11856	1.4
173.13298	2.0
175.14842	4.1
175.42046	1.1
177.12708	1.4
177.16533	1.6
179.14371	1.5
183.13858	1.5
185.13327	1.3
185.15407	1.2
187.13287	2.3
187.14763	1.4
189.16418	3.7
191.17982	1.6
193.15874	2.1
195.17488	1.6
203.12781	3.6
203.17995	3.0
207.17477	2.3
209.15472	2.4
213.16580	1.4
215.18010	1.6
221.06007	1.4
221.18996	2.0
223.16908	1.7
227.12811	10.9
235.17004	1.4
235.20561	2.3
249.18555	3.1
259.24295	2.3
269.22699	2.1
275.23779	1.3
277.25238	7.2
279.23154	1.5
283.58951	1.0
287.23694	4.6
293.24753	5.6
305.17484	2.5
305.24738	55.5
309.07538	1.7
312.92368	1.1
323.25827	29.8
341.20886	3.5
341.26816	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	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	7.6
55.05515	20.6
57.07077	11.1
59.03933	5.4
62.21287	5.7
67.05508	42.2
69.03442	18.2
69.07082	38.2
71.08620	7.7
79.05493	23.7
81.07065	91.3
83.04994	17.2
83.08622	20.7
85.06540	6.8
91.05484	28.8
93.07047	61.4
95.04977	17.6
95.08611	100.0
97.06533	8.6
97.10194	9.7
105.07021	28.9
107.08592	55.0
109.06535	12.5
109.10165	70.0
111.04465	8.0
111.08136	7.7
111.11710	6.3
113.06012	6.0
119.08593	43.6
121.06539	6.0
121.10162	46.8
123.08082	10.0
123.11726	23.0
127.07571	6.3
131.08556	12.5
133.10172	30.5
135.11723	27.8
137.09599	11.9
137.13254	16.9
141.09152	5.5
145.10141	13.3
147.11699	20.9
149.09541	8.0
149.13301	40.0
153.12752	5.7
155.10669	9.9
157.10143	7.5
159.11732	17.0
161.13307	17.0
163.14841	37.3
171.11697	6.1
173.11787	13.9
173.13261	8.8
175.14851	10.7
177.12729	6.2
177.16435	18.1
185.13243	5.2
187.14853	8.9
189.16438	8.5
191.17999	11.9
196.98766	6.3
205.19568	18.5
213.16341	10.5
231.21086	15.5
249.22136	7.7
269.22644	38.0
275.23486	7.7
287.23740	59.4
291.19266	6.9
292.97821	6.0
305.24692	56.8
323.25894	15.2
341.21271	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.05515	19.6
57.07063	6.9
67.05235	2.3
67.05511	25.4
69.07074	25.1
71.04991	27.7
71.08617	3.2
79.05497	30.3
81.07060	100.0
81.61336	2.3
83.08618	12.7
85.06525	9.1
91.05489	20.2
93.06489	5.1
93.07047	81.2
95.04961	7.0
95.08608	85.3
97.06472	3.9
97.10166	8.6
98.20699	4.6
105.07030	54.8
107.08601	79.0
109.06496	9.3
109.10162	44.4
111.08086	23.9
111.11694	4.4
113.09634	7.0
117.06952	5.9
119.08588	54.0
121.10144	68.6
122.05521	2.4
123.11713	20.2
131.08592	21.2
133.10138	35.5
135.11690	33.2
137.09576	6.2
137.13277	6.0
143.08557	9.8
144.09334	3.2
145.10118	30.2
147.11676	31.5
149.09644	4.1
149.13245	52.2
149.75241	2.2
151.11189	3.2
157.10149	12.7
159.11708	48.2
161.13246	30.7
163.11076	3.0
163.14804	32.5
169.10098	4.4
171.11676	11.5
173.13252	30.7
175.14830	16.8
177.12761	8.6
177.16437	5.3
179.14377	3.0
183.11757	3.5
185.13229	8.2
187.14804	27.8
189.16428	18.3
191.14377	2.8
191.17931	32.3
197.13245	5.9
199.12837	3.2
199.14833	11.4
201.16373	14.6
203.17990	11.6
211.14815	4.7
213.16437	19.4
215.17899	14.9
217.19469	4.7
225.16435	4.9
227.17975	9.7
229.19513	6.6
231.17465	3.1
241.19427	4.3
243.21014	4.8
253.19592	6.6
257.22641	21.6
267.21054	9.2
271.24182	6.8
281.22604	3.8
283.24170	39.2
285.22067	3.2
297.25705	3.1
299.27625	4.1
323.27316	33.9
341.28171	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3204
Annotation	stellata-2,6,19-triene
Peak:m/z	Relative Intensity
55.05509	19.0
57.07077	26.9
61.69065	3.2
63.70150	3.3
67.05512	34.2
69.07072	35.6
69.21973	30.9
71.08638	16.0
79.05506	10.3
81.06590	5.6
81.07062	90.5
83.08623	13.4
85.10226	7.0
91.05484	9.9
93.07050	43.0
95.08616	96.2
97.10169	14.2
99.30542	3.3
105.07036	20.2
107.08601	47.2
109.10164	66.8
111.11720	6.6
116.94942	2.9
119.08599	29.1
120.66235	2.8
121.10145	36.4
123.11703	39.4
126.22189	3.3
131.08594	7.4
133.10156	19.4
135.11696	23.5
137.13266	18.4
145.10146	6.4
147.11693	18.6
149.13260	28.0
154.97128	3.5
159.11711	7.5
161.13315	19.7
163.14888	20.1
173.13307	5.3
175.14873	13.1
177.16380	17.6
179.87057	3.3
187.14917	3.8
189.16444	15.1
191.17914	7.3
197.26494	3.5
203.17999	13.8
205.19476	3.9
215.17863	5.7
217.19533	20.1
231.21130	11.8
245.22723	6.5
246.78459	3.9
271.24127	7.9
285.25534	3.7
305.74802	3.3
323.33099	8.6
341.26996	13.3
341.32001	100.0
341.36072	14.6
341.39621	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	14.5
55.05512	66.5
57.03430	15.5
59.04971	5.5
64.19041	4.5
67.05510	57.8
69.03423	10.6
69.07070	45.7
69.21026	35.3
69.21433	12.7
71.04979	9.2
79.05492	55.4
81.03394	16.3
81.07062	38.2
83.04985	12.6
83.08629	41.0
85.02900	10.7
85.06528	7.9
91.05464	35.8
93.07031	30.1
95.01305	19.8
95.04965	39.7
95.08582	15.2
97.06543	29.9
97.10175	51.3
105.07030	29.1
107.04960	25.7
107.08582	30.9
109.02855	12.6
109.06508	22.6
109.10143	19.1
111.04436	6.5
113.02412	5.3
113.06003	6.7
115.05458	6.8
115.07561	9.0
117.06988	10.6
119.08565	26.1
121.02865	27.4
121.06487	21.5
121.10143	10.6
123.04393	13.0
123.08076	6.5
125.09633	42.3
129.07011	11.8
131.08556	12.7
133.06483	5.5
133.10138	11.2
135.08031	24.0
137.09650	7.4
141.07085	7.8
145.06377	5.9
145.10127	10.0
147.08049	16.2
147.11636	29.7
157.10193	8.2
159.08070	100.0
161.09570	7.3
163.07513	6.3
173.09552	5.6
175.11163	13.9
185.09631	11.9
189.11200	52.1
193.12297	21.1
203.10559	10.2
211.11168	6.1
211.13266	12.1
219.13869	9.4
221.11664	36.7
233.15331	13.1
237.14844	22.7
239.12779	16.9
247.13295	15.8
253.15787	16.3
261.18518	5.8
263.16287	5.9
271.16809	22.8
289.18030	55.5
307.19003	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82856	2.4
54.61549	2.3
55.01865	4.8
55.05273	3.6
55.05513	49.7
57.03434	3.2
62.14884	2.3
67.05506	19.4
69.03424	5.6
69.07075	19.5
69.39638	17.8
79.05493	31.6
81.07066	29.0
83.04945	5.6
83.08158	2.9
83.08622	31.4
91.05481	12.7
93.07047	15.3
93.40417	2.5
94.64189	2.5
95.08609	11.1
97.06532	4.3
97.10176	74.9
98.20747	2.7
105.07051	16.8
107.04985	3.4
107.07880	4.4
107.08601	88.5
109.06506	6.1
109.10146	4.1
111.08113	3.2
117.06992	4.1
119.08575	8.5
121.06462	2.4
121.10128	7.5
125.09631	75.5
131.08565	3.9
133.10109	8.8
135.08060	16.0
135.11739	2.9
145.10118	7.1
147.11667	16.2
149.09607	5.8
153.09082	15.0
157.12238	7.4
159.11673	3.0
163.11249	3.1
165.12782	5.0
203.12793	100.0
229.19604	2.8
239.17947	4.2
257.18951	12.0
275.20078	50.3
289.21622	17.7
307.22623	24.4
312.78973	2.5
351.57364	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	15.2
55.05516	41.8
57.03423	10.5
57.07071	13.0
65.44521	4.6
67.05514	89.7
69.03421	7.2
69.07073	23.7
71.02628	8.1
71.04982	6.9
71.08633	5.9
79.05507	43.3
81.03412	15.6
81.07062	88.5
83.05003	22.7
83.08643	22.6
85.06530	16.9
85.26946	5.3
91.05491	55.4
93.07047	42.1
95.04962	19.4
95.08625	45.0
97.02839	4.5
97.06571	6.3
97.10178	7.2
99.08083	8.3
105.07040	52.7
107.04951	13.2
107.08603	41.7
109.06513	14.1
109.09470	6.8
109.10164	63.6
111.08076	10.7
117.07080	6.9
119.08592	20.9
121.06522	6.4
121.10159	17.6
123.08091	13.4
123.11730	24.8
125.09625	16.9
129.07001	6.9
131.08569	20.5
133.06438	5.8
133.10138	100.0
135.08066	6.3
135.11684	14.1
137.09605	15.6
145.10143	12.8
147.11720	12.0
149.09616	18.4
149.13249	5.0
151.11201	89.0
157.10112	5.3
159.11719	9.1
163.11172	15.4
165.09129	6.0
172.98517	5.4
173.13249	6.0
175.11340	6.2
175.14673	5.8
177.12732	8.8
179.10622	10.6
183.13820	31.5
191.14413	5.7
193.12236	19.5
195.13774	11.5
205.12335	4.5
247.20570	10.6
257.19012	15.5
265.21518	6.0
275.20081	72.0
293.21011	34.1
293.60040	4.9
307.22702	40.5
342.37302	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00324	0.2
55.05505	0.2
57.07082	7.1
58.06586	1.1
62.06099	2.6
64.26469	0.2
69.07074	0.4
70.60777	0.7
71.08639	3.4
72.08157	1.4
74.61033	0.2
85.10192	0.6
119.08556	0.3
121.57504	0.2
156.17476	1.5
174.18546	4.5
202.21893	0.2
212.23772	1.3
230.24785	3.8
298.34543	0.3
298.57230	0.2
324.36224	0.8
342.37317	100.0
343.37753	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	343.0815
Annotation	(+)-Megacerotonic acid
Peak:m/z	Relative Intensity
53.03951	2.5
55.01865	3.9
57.03452	1.7
65.03934	1.5
67.05508	2.9
68.99804	1.4
69.03422	3.4
69.07069	1.8
70.06588	4.0
70.75237	2.7
71.04989	2.0
72.08147	2.9
75.72611	1.1
79.05494	2.3
81.03421	3.7
81.07040	3.5
83.04973	1.6
83.08640	1.3
85.02891	4.7
86.09716	3.6
91.05488	14.2
91.36635	1.3
93.07044	3.0
95.04967	4.1
95.08604	2.5
97.02895	2.2
97.06548	1.8
99.04468	1.5
100.07633	1.3
100.11284	1.6
103.05464	12.0
105.03400	3.3
105.07025	6.3
107.04961	12.2
107.08609	2.2
109.02911	2.6
109.06573	1.8
110.07133	1.4
111.04440	3.1
112.85523	1.1
115.05466	45.0
116.07115	2.1
117.06234	2.0
117.07018	25.7
119.04953	2.2
121.02892	6.8
121.10177	1.4
123.04459	18.8
123.61623	1.2
127.03915	3.9
131.04941	11.8
133.06493	10.5
135.04446	3.0
137.02356	10.9
143.04916	16.7
144.05717	4.2
145.06499	76.1
145.10117	2.1
147.04408	7.7
153.09122	2.0
155.06055	17.2
157.01381	1.3
157.02739	1.2
159.04431	27.1
160.05273	2.5
161.06000	77.8
163.03940	7.4
163.11162	4.2
165.06987	2.9
167.08578	1.9
171.04376	4.4
171.05647	1.6
175.03931	3.3
177.06995	2.1
178.07797	5.6
179.08537	8.4
181.05020	9.5
181.06429	2.6
181.12157	1.6
183.08051	2.1
187.03842	24.7
189.05461	9.9
189.07039	10.1
195.08069	4.5
203.03444	3.8
205.01216	1.6
205.04916	20.8
205.06534	39.8
206.07167	2.7
207.08073	41.3
210.06631	1.3
211.07724	1.7
211.13342	1.5
217.06557	3.5
218.07191	1.7
221.06068	3.3
223.07538	9.0
225.09052	2.3
231.02908	10.6
233.06004	32.6
234.06799	2.9
235.07590	27.8
241.08571	3.5
251.07080	31.3
253.08601	15.3
261.05548	12.1
263.07068	11.1
269.08139	8.7
279.06549	100.0
281.08133	13.5
297.07602	30.2
307.05945	2.3
325.07043	15.6
343.08078	2.9
343.11804	1.6
343.18298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96070	1.4
55.01870	5.5
55.05494	3.1
60.42697	1.6
65.03926	2.9
67.05506	4.1
69.03439	2.9
69.07068	1.8
70.06586	5.7
70.85593	1.9
70.85912	2.1
71.27244	1.2
72.08139	2.2
79.05479	2.4
81.03403	6.4
81.07059	3.8
83.04980	1.7
84.08139	1.7
85.02902	6.4
86.09697	6.7
91.05486	17.7
92.66231	1.5
93.07031	3.7
95.04977	6.6
95.08602	2.4
97.02883	2.0
97.06541	2.2
98.97543	2.0
99.04458	2.0
103.05463	11.1
105.03411	4.9
105.07021	7.9
107.04958	14.3
107.08601	4.2
109.02859	3.5
111.04430	2.9
115.05457	42.7
117.07013	23.1
119.04939	1.5
120.08154	1.7
121.02866	6.3
121.10197	1.7
123.04424	18.0
123.07997	1.5
125.09615	1.7
127.03902	3.9
127.05450	2.4
129.10233	1.9
131.04921	15.2
133.06490	8.2
135.04385	3.4
137.02351	11.5
140.04695	1.8
143.04935	18.6
144.05722	5.3
145.06488	76.5
147.04416	10.7
155.06032	17.7
159.04407	26.6
160.05197	2.7
161.05984	75.2
161.09601	2.0
163.03928	5.8
163.11177	2.6
165.07019	2.7
167.08553	2.9
171.04393	4.8
173.09656	1.5
175.03899	2.3
177.05580	3.4
177.07007	3.8
178.07759	6.7
179.08580	7.6
181.04982	11.0
181.06400	2.6
181.12282	2.5
182.07278	1.3
183.08147	2.7
185.13289	1.6
187.03807	23.2
189.05673	11.1
189.06799	11.1
195.08069	4.2
202.60193	1.7
203.03455	2.6
205.04910	22.2
205.06532	48.0
206.07074	2.2
207.08060	43.6
217.06538	3.1
218.07309	4.1
221.06053	2.6
223.07513	10.2
225.09132	3.0
231.02904	10.7
233.06001	32.8
234.06618	2.7
235.05299	1.0
235.07555	30.0
239.07048	2.6
241.08597	3.3
250.06380	2.6
251.07030	30.2
252.07631	1.6
253.08540	16.7
261.05441	14.7
263.07050	9.7
269.08075	9.2
279.06525	100.0
281.08121	15.7
297.07550	27.9
307.05896	1.8
325.07001	16.6
343.07956	2.3
343.11871	1.7
343.19098	3.1
343.31030	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	343.1025
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
53.03946	2.6
55.01862	1.3
55.05495	0.5
57.03428	1.4
61.02922	0.5
62.96270	0.3
65.03946	4.5
67.05507	2.5
69.03087	0.6
69.03431	7.1
69.07067	0.5
70.97325	0.3
70.97633	0.5
71.04993	1.0
73.02909	0.6
79.05486	0.8
81.03421	13.5
81.07050	0.9
82.00539	0.5
82.04182	1.8
83.04979	0.3
85.02906	9.0
86.09708	0.6
91.05486	0.8
91.32321	0.3
93.03408	1.5
93.07040	0.4
95.04974	3.1
95.08614	0.4
97.02892	3.0
97.06536	1.5
99.04431	1.7
105.04485	0.4
105.07040	0.6
107.04957	0.4
107.08585	0.6
108.02127	0.9
109.02885	4.9
109.06501	0.5
110.03674	3.0
111.04433	1.1
115.66158	0.3
123.00804	0.5
123.04427	1.6
123.87454	0.3
125.02352	1.2
125.06024	2.0
126.42870	0.3
127.03929	2.2
129.07111	0.3
135.04387	0.4
135.08087	0.7
137.02342	0.5
138.03140	1.8
140.03600	0.7
140.04680	12.0
142.02568	2.2
153.05432	1.9
155.07034	4.0
163.03896	1.9
171.06595	2.5
175.11227	0.3
181.04959	100.0
182.05313	0.5
199.06006	4.3
211.13304	0.3
233.11795	0.4
238.08658	0.3
239.09068	2.0
253.10814	2.6
254.11327	9.4
255.11974	0.4
283.08215	0.4
325.09204	12.6
325.15805	1.9
343.10278	1.5
343.13736	1.7
343.17276	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	343.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55847	0.5
53.03946	1.5
55.05505	1.0
55.12967	0.5
55.69627	0.5
57.03427	0.6
61.97970	0.5
65.03943	0.9
67.05500	1.8
69.03440	3.0
69.07075	1.3
70.06585	1.0
71.52287	0.6
72.08145	0.9
79.05505	2.3
81.03418	5.1
81.07063	2.1
82.04194	0.5
83.04995	1.1
83.08585	0.7
85.02914	2.9
86.09711	1.6
91.05470	1.9
93.07036	1.8
95.04967	1.8
95.08597	1.4
97.02891	1.1
97.06552	1.3
99.04512	0.6
100.11263	2.0
105.07047	1.4
107.04979	0.8
107.08599	2.1
109.02891	3.8
109.06522	1.3
109.10091	0.5
111.04439	0.9
111.08049	0.8
113.03493	0.8
117.07008	1.0
119.08595	0.9
119.54341	0.5
121.06510	1.0
123.04473	0.7
123.08077	1.7
125.05975	0.7
127.03929	1.4
129.07042	0.6
131.08578	0.8
135.04440	0.8
135.08064	1.4
137.02286	0.5
140.04686	2.4
145.02806	0.6
145.04984	0.9
145.10098	1.3
147.07991	0.6
151.07573	0.7
153.05487	3.9
155.07069	0.7
157.10155	0.5
163.04002	2.7
163.07547	1.2
163.11253	0.6
169.10030	0.5
171.06514	0.8
173.09663	0.7
181.04987	19.1
181.08432	0.6
181.12234	0.6
184.04550	0.5
187.11137	0.5
191.03491	1.0
193.12286	0.8
197.09531	0.5
199.05928	0.6
210.02617	0.5
223.13280	1.1
233.11888	0.7
251.08197	0.6
271.17038	0.5
283.43076	0.5
289.17886	0.6
299.14685	2.7
307.18951	0.7
325.09174	3.8
325.16251	11.9
343.17288	100.0
343.30862	1.5
344.17664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.05489	0.6
57.03437	1.0
61.02919	0.9
63.87761	0.4
65.03935	1.4
67.05489	1.5
69.03444	3.0
69.07061	0.6
70.06583	1.6
71.01366	0.4
71.04965	0.5
71.51572	0.6
72.08134	0.8
72.65591	0.4
73.02905	0.6
76.65707	0.3
79.05473	1.4
81.03422	5.5
81.07071	1.1
82.04169	0.6
85.02914	4.1
86.09718	2.5
87.10024	0.8
91.05472	1.1
93.07065	0.6
95.04950	1.5
95.08589	0.7
97.02886	1.4
97.06532	0.7
99.04455	0.6
100.11234	0.5
107.08563	1.0
108.02146	0.5
109.02877	1.7
110.03624	1.1
113.03528	0.4
116.07098	1.1
123.04450	1.0
125.05996	0.5
127.03915	1.9
133.10132	0.4
135.08044	0.8
137.05965	0.6
139.11121	0.5
140.04688	3.4
142.02597	0.6
145.04906	0.7
145.10149	0.5
149.07457	0.8
150.54436	0.4
153.05492	1.2
155.07066	1.2
171.06557	0.7
181.04962	34.7
199.06032	1.4
287.09869	0.4
297.63089	0.4
299.14709	3.0
325.09329	5.4
325.16220	11.2
343.17239	100.0
344.17676	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30061	0.6
53.03939	1.7
53.64690	0.6
54.70671	0.7
55.01869	2.1
55.05507	2.1
55.83475	0.7
57.03426	3.3
57.07075	0.8
61.02935	4.6
67.05501	2.0
69.03091	1.0
69.03433	13.6
69.07069	1.0
70.06591	1.9
70.64282	2.2
71.04987	3.0
72.08167	1.4
73.02915	2.3
79.05499	3.9
81.03420	6.7
81.07057	8.9
83.04983	6.2
83.52629	0.8
85.02910	32.5
85.06539	1.2
86.09695	2.7
87.04468	2.3
87.10056	1.5
88.91806	0.8
89.96619	0.6
91.03957	2.3
91.05469	4.6
93.07050	10.5
95.04973	18.5
95.08601	2.1
97.02901	11.6
97.06503	3.8
98.97612	0.9
99.04456	3.3
100.11273	0.8
105.07040	7.0
107.08593	9.5
109.02850	3.8
109.06522	2.7
109.10139	1.0
116.07081	1.2
117.07023	2.7
119.08587	4.6
121.06507	4.3
121.10148	11.1
123.08053	1.2
125.05997	14.5
125.09666	0.9
127.03926	9.2
130.07799	2.9
133.06488	1.7
133.10147	0.9
135.08083	0.8
135.11703	7.5
137.05978	1.3
138.09193	0.7
143.08582	1.2
145.04950	7.5
145.06134	0.7
145.06554	1.0
145.10127	19.4
147.08046	1.5
147.11647	0.7
148.08830	1.0
149.01288	0.8
149.06007	1.1
153.09120	1.2
161.09569	1.6
163.03966	0.9
163.11189	100.0
164.11530	1.2
165.12648	1.2
175.11275	1.1
178.38554	0.7
180.11343	0.7
181.04947	3.5
181.12236	20.2
183.10126	1.0
187.11163	1.1
205.12445	1.3
223.13318	1.5
252.09511	1.3
252.59393	1.9
253.09825	1.2
307.15170	0.9
312.68478	0.9
324.61618	2.9
325.16278	0.8
333.62195	2.1
334.12119	0.8
343.13461	1.4
343.17673	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03938	10.1
55.01868	11.7
55.05263	5.2
55.05510	34.8
57.03424	15.5
57.07062	11.7
59.05008	7.6
64.24541	5.3
67.05514	41.4
69.03426	12.5
69.07056	28.4
69.64351	4.7
69.67857	29.1
70.06589	4.7
71.04993	27.3
74.13796	5.5
79.05491	44.3
81.03381	8.3
81.07056	61.3
83.04967	13.4
83.08611	14.7
85.06532	5.9
86.33212	4.6
91.05475	46.8
93.07044	87.0
95.04974	81.5
95.08607	85.9
97.06535	55.2
97.10149	6.0
105.07030	94.1
107.04930	9.4
107.08624	66.8
109.06515	20.2
109.10152	33.2
111.04485	4.8
113.53590	4.5
117.07057	33.5
119.08575	43.4
121.06510	14.7
121.09277	7.1
121.10132	37.8
123.08058	28.4
123.11707	8.3
129.06979	18.5
130.07779	13.4
131.08592	27.7
133.06479	9.1
133.10158	29.0
135.08073	29.4
135.11690	17.6
137.05920	4.4
137.09608	6.0
141.06906	5.2
142.07858	6.5
143.08539	19.4
144.09216	6.1
145.09065	7.5
145.10135	80.3
146.07069	4.9
147.08041	14.7
147.11700	12.4
149.09590	13.7
149.77548	4.7
151.07568	43.8
153.09009	6.0
155.08609	9.0
155.10646	8.5
157.10120	20.7
159.08051	6.9
159.11699	31.6
161.09641	13.5
161.13281	6.4
163.11189	53.5
165.09108	10.4
169.10085	10.5
171.11674	7.2
173.09659	7.3
173.13336	7.9
175.11092	6.6
183.11661	10.0
187.11186	22.9
187.18449	4.8
189.12810	6.9
197.13277	5.2
199.14722	6.1
201.09047	6.6
203.14362	8.1
209.15279	7.2
215.17937	5.5
221.15340	24.3
223.14854	5.9
233.15355	11.4
243.13770	7.0
251.14224	6.1
263.16608	5.5
275.20166	11.1
297.14847	6.4
299.12683	7.3
325.14322	6.4
325.21530	22.4
343.11771	11.4
343.15710	10.3
343.22656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	3.4
55.01859	4.7
55.05512	14.5
57.03429	4.5
57.07081	5.8
59.04981	3.6
65.03934	1.9
67.05508	18.1
67.50697	1.1
69.03436	6.8
69.07056	4.7
70.01677	6.0
71.04997	14.1
79.05493	16.7
81.03407	3.5
81.07060	22.8
83.04967	4.2
83.08595	3.1
85.06528	2.6
91.05481	24.2
93.07047	50.5
95.04972	43.3
95.08604	57.5
97.06523	14.2
103.05451	2.3
104.00792	1.3
105.07034	58.6
107.04950	3.4
107.08592	36.5
108.05693	1.3
109.06536	11.8
109.10164	2.2
111.08080	2.1
115.05478	3.8
117.07024	22.5
119.08584	16.9
121.06513	11.2
121.10149	12.3
123.08076	19.8
123.11750	1.3
125.06007	2.1
128.06189	2.6
129.07019	3.8
130.07814	12.4
131.08571	6.6
133.06497	4.5
133.10132	13.2
135.08044	18.5
135.11688	10.7
137.09636	3.2
142.07776	1.9
143.08545	8.9
144.09340	1.3
145.06401	1.5
145.10126	63.6
147.08032	10.1
147.11676	6.3
149.09610	4.4
151.07544	38.3
153.09152	3.0
155.08563	2.7
155.10686	1.4
156.09276	2.1
157.10123	7.8
159.08069	2.8
159.11687	7.3
161.09592	6.6
161.13248	3.0
163.07581	1.9
163.11179	45.0
165.09132	13.1
167.07030	1.7
169.10110	2.0
171.07997	1.4
171.11679	3.2
173.09654	3.3
173.13309	3.1
175.11220	3.9
177.09140	4.7
179.07098	1.9
179.08582	1.8
179.10530	2.0
181.12213	1.7
182.10764	1.2
183.11697	2.5
185.13261	1.6
187.11221	4.6
187.14745	1.4
189.09190	2.2
189.12740	7.2
191.10738	1.8
191.14355	2.7
197.11653	1.5
197.13234	2.5
199.14948	1.9
203.14310	6.4
207.11870	1.5
207.13831	5.1
209.13306	2.6
209.15419	4.8
215.14355	2.9
217.12372	1.7
221.15364	21.3
225.12761	2.2
225.16284	1.6
233.15399	3.5
240.23193	2.8
243.13898	2.4
263.16394	5.4
269.15414	2.7
286.19278	3.6
287.16479	2.9
287.19949	2.4
307.20575	1.6
325.21713	9.3
343.22696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
51.57993	1.6
53.03935	5.5
54.40378	1.7
55.01873	4.0
55.05508	8.8
57.03430	6.2
57.07066	6.8
59.05000	5.2
67.05165	2.6
67.05503	19.4
69.03422	8.1
69.07058	5.0
70.70317	5.3
71.04987	16.5
79.05499	16.9
81.03423	2.6
81.07052	19.7
83.04985	4.3
83.08588	1.9
84.97157	2.1
85.06525	4.1
91.05489	24.0
93.07051	45.5
95.04973	40.1
95.08612	56.1
97.06551	12.5
103.05444	2.6
105.07030	58.4
107.04917	2.1
107.08594	37.0
109.06504	10.2
115.05418	3.3
117.07024	21.6
119.06080	1.9
119.08598	19.5
121.06504	12.0
121.10125	14.4
123.08079	18.6
125.06000	2.5
128.06215	3.2
129.07005	3.3
130.07785	12.9
131.08559	6.9
133.06517	3.3
133.10155	10.0
135.08066	15.6
135.11676	12.8
137.05984	3.1
137.09550	4.5
142.07806	3.3
143.08597	8.7
145.10130	58.5
147.08018	10.2
147.11688	5.3
149.09608	3.2
151.07538	35.8
153.09105	1.8
155.08528	2.8
157.10130	8.0
159.08044	4.0
159.11684	6.8
161.09650	5.3
161.13223	3.0
163.11192	45.3
165.09074	11.9
167.08452	1.7
169.10068	2.1
171.11678	2.7
173.09607	4.4
173.13293	4.1
175.11151	4.3
175.14578	1.8
177.09106	5.5
179.07091	4.4
181.12318	2.1
185.13321	2.4
187.11145	3.8
187.14859	2.5
189.12799	6.9
191.14362	3.4
195.11703	3.4
197.13301	3.9
203.14301	7.2
207.13780	3.6
209.15381	4.7
211.14836	2.4
217.12181	2.5
221.15338	26.3
225.12865	1.9
227.14127	1.9
233.15431	3.0
240.23245	2.5
263.16501	6.7
269.15338	2.3
286.19333	3.4
325.21622	9.1
343.22690	100.0
343.37848	2.0
344.23273	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03931	4.7
55.01860	4.4
55.05518	12.1
57.03445	7.4
57.07085	7.2
59.04987	5.6
62.15353	1.2
65.03928	1.6
65.45886	1.1
67.05505	20.8
69.03429	8.2
69.07057	4.2
69.61579	7.9
71.04994	17.7
77.03897	1.3
79.05496	18.9
81.03418	3.3
81.07055	22.7
82.07304	1.2
83.04974	4.9
83.08599	2.0
85.06518	3.8
91.05483	25.8
92.88030	1.3
93.07047	53.7
95.04382	2.3
95.04974	42.3
95.08611	64.9
97.06535	11.1
103.05491	2.1
105.04506	2.2
105.07035	62.8
107.07877	2.4
107.08596	43.3
108.05687	1.4
109.06528	12.0
109.10139	4.7
111.08089	1.6
115.05441	4.9
117.07024	20.0
119.06086	1.7
119.08588	21.7
121.06517	13.1
121.10153	12.9
122.07322	2.1
123.08074	19.3
125.05969	2.3
125.09560	1.6
127.29155	1.2
128.06219	1.4
129.07016	3.7
130.07780	13.2
131.08566	6.0
133.06483	3.7
133.10146	10.6
135.08066	22.3
135.11708	12.9
137.05962	3.4
137.09607	5.2
141.06932	2.3
142.07811	1.6
143.08589	6.4
144.01772	1.3
145.06465	1.5
145.10132	60.2
145.76881	1.0
146.10597	1.3
147.08038	11.6
147.11720	3.2
149.09637	3.5
151.07547	29.5
153.09117	3.3
155.08543	2.1
156.09334	1.2
157.10147	6.5
159.08076	2.5
159.11690	5.9
161.09630	5.8
161.13268	4.2
162.10364	1.3
163.07516	2.2
163.11191	54.2
165.09114	15.0
166.93964	1.1
169.10127	3.0
171.11742	3.6
173.09605	3.3
173.13313	3.0
175.11192	3.8
177.09109	5.2
179.07069	2.6
179.10721	1.4
181.10130	1.6
181.12231	1.7
182.10803	1.3
183.11658	1.2
185.09560	1.6
185.13303	2.6
187.11156	3.7
187.14847	2.0
189.09074	1.6
189.12703	8.9
191.10658	1.4
191.14348	3.3
193.12245	2.5
195.11707	1.6
197.13292	1.6
199.11136	2.2
199.14777	1.4
203.14371	6.4
204.13153	1.4
207.10109	2.2
207.11981	1.9
207.13744	6.5
209.13400	2.6
209.15367	2.9
213.12860	1.6
215.14253	2.8
217.12306	1.6
221.15367	27.7
223.14948	1.5
225.12659	2.1
233.15556	1.3
240.23264	5.0
245.15280	2.1
251.16492	1.5
263.16306	6.1
269.15366	2.5
286.19333	4.3
287.16550	1.6
287.19925	2.5
291.19611	1.4
307.20544	2.8
325.21542	8.0
343.22672	100.0
344.23093	2.4
357.92682	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43965	0.4
53.03934	0.6
55.01862	0.7
55.05501	0.8
56.05019	0.5
57.03425	1.5
61.02933	2.4
65.03938	0.7
67.05518	0.7
69.03434	4.0
69.07056	0.6
70.06596	6.3
70.95830	0.5
71.05003	0.7
71.51749	0.5
72.08147	1.5
72.93778	0.7
73.02896	0.5
73.06519	0.6
81.03410	1.9
81.07043	0.7
82.04910	0.5
84.04463	0.7
85.02911	16.6
86.09705	4.7
89.06037	4.8
91.03991	0.5
91.05478	4.2
97.02899	3.7
98.05969	0.5
98.97589	0.6
99.04458	0.7
105.07027	0.6
108.24255	0.5
109.02879	1.5
116.07098	14.0
119.04947	15.4
120.08085	0.5
123.04423	2.6
127.03893	3.6
128.03450	0.5
131.97389	0.5
133.08621	2.7
141.10262	0.7
143.04938	0.9
145.04961	3.6
147.04413	100.0
156.10202	0.6
161.06061	1.3
165.05481	56.8
171.04462	0.9
173.02486	0.5
175.07539	1.2
177.05487	0.9
177.11217	1.0
180.08647	2.2
181.05069	0.5
182.05388	0.9
182.08113	1.3
189.02132	0.9
189.05482	0.8
191.07066	1.2
201.12357	3.8
203.07054	3.5
203.08699	0.5
211.13217	0.6
217.01506	0.7
229.11827	0.9
231.06624	0.7
235.02794	0.6
245.08179	1.0
249.07588	4.5
273.07574	0.8
309.09729	1.7
327.20206	1.6
344.13513	2.0
344.19647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81093	0.5
57.03424	1.4
61.02917	1.5
69.03438	3.8
69.07059	0.8
69.93913	2.2
70.06601	6.2
71.04973	0.7
72.08167	0.8
72.93782	1.0
73.02905	0.9
81.03413	1.9
81.07062	0.7
84.04506	0.6
85.02911	16.9
86.09711	4.9
88.03961	1.1
89.06030	4.0
91.03960	1.0
91.05476	4.4
95.04945	0.6
96.04484	0.6
97.02895	4.2
99.04474	0.6
109.02866	1.6
113.96400	0.6
116.07092	12.1
119.04950	16.0
123.04428	1.9
127.03903	3.7
127.34521	0.5
133.08612	2.2
141.10286	0.9
143.04919	0.8
145.04964	3.4
147.04419	100.0
156.10233	0.8
161.06033	0.6
165.05484	59.5
173.02571	0.7
175.07581	1.2
177.11157	0.5
180.08720	2.0
181.04991	0.9
182.05237	0.9
182.08037	1.1
189.02162	1.2
201.12360	3.1
203.07056	3.0
211.13272	0.5
229.11871	0.6
231.06421	0.8
235.02760	0.7
249.07576	3.9
258.54337	0.5
267.61359	0.5
273.07822	0.7
309.09650	1.4
327.20163	1.8
344.13760	1.8
344.20554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
53.88371	3.6
55.01873	8.9
55.05517	17.6
57.03432	17.1
58.57057	3.4
59.04995	3.9
59.11899	2.9
60.89234	3.2
67.05511	60.0
69.03439	5.3
69.07075	79.6
69.26728	30.1
71.05006	36.5
73.02908	3.8
78.53319	2.9
79.05506	54.4
81.03425	31.0
81.07067	57.9
83.04995	10.9
83.08633	7.5
85.06564	5.7
91.05495	39.2
93.07051	43.0
95.04984	39.4
95.08617	27.5
97.06544	100.0
97.10162	4.1
98.20802	6.0
99.08092	10.1
105.07049	27.5
107.04977	9.6
107.08590	23.6
109.06514	22.6
109.10169	9.8
111.08121	7.1
113.05984	6.1
115.07581	47.8
117.07030	18.8
119.08597	22.6
121.06496	11.0
121.10160	14.6
123.08118	3.8
125.09597	4.5
128.06212	4.0
129.07022	6.3
131.08592	21.9
133.10147	13.0
135.08084	10.0
135.11742	15.2
137.09656	4.2
143.08594	5.8
145.10088	16.4
147.11711	7.5
149.09651	8.7
149.13263	10.7
157.10143	6.7
159.11719	19.8
161.09595	8.9
161.13283	3.7
163.11240	6.8
165.09047	4.1
171.11617	5.1
173.13292	5.9
175.11214	5.9
177.12740	11.5
187.11288	4.6
193.12364	3.2
195.13882	7.8
199.14874	4.2
201.12608	5.7
211.13226	4.9
216.79820	3.4
219.13754	4.5
223.13330	13.1
245.19099	5.2
263.20218	5.2
273.18536	18.2
291.19540	11.1
294.12125	3.3
344.18582	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	10.4
55.01868	13.5
55.05513	50.8
56.17568	6.0
57.03429	25.1
67.05508	69.5
67.44170	5.9
69.07069	56.4
69.77029	32.7
71.04984	24.6
79.05502	76.0
81.03424	32.7
81.07059	69.6
83.04969	25.0
83.08625	25.7
85.06524	5.8
88.07620	8.2
91.05483	46.8
93.07057	59.6
95.04992	41.7
95.08614	41.6
97.06532	100.0
97.10179	39.9
98.20835	12.3
99.08102	7.7
105.07036	35.4
107.04945	12.9
107.08596	36.3
109.06524	21.4
109.10140	20.2
111.04447	7.5
111.08063	10.0
113.06049	8.5
115.07571	16.0
117.07026	11.8
119.08570	21.4
121.06501	9.7
121.10143	22.1
123.08057	29.3
123.90335	5.4
125.09666	33.2
129.07010	7.4
131.08536	22.5
133.10141	19.3
135.08058	12.7
135.11671	12.0
137.09605	11.2
145.10112	18.2
147.11652	6.9
149.13264	11.1
153.09084	7.4
159.11674	11.1
161.09673	9.7
163.11110	14.3
165.09102	8.7
177.12727	14.2
181.12181	9.3
189.11226	34.1
193.12202	8.0
195.13789	11.4
199.14868	6.5
211.13405	6.6
221.15169	7.6
223.13443	7.0
227.12871	8.1
229.66171	6.7
237.18033	5.3
273.18500	23.6
291.19583	85.3
309.20618	23.8
326.23340	6.0
344.25192	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	344.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.0
55.05511	7.4
57.03423	8.1
66.41676	1.9
67.05517	20.8
69.03427	2.2
69.07072	24.5
69.52998	1.6
70.76960	5.5
71.05003	9.6
73.02900	1.8
79.05501	23.0
81.03416	12.1
81.07059	21.0
83.04978	4.2
83.08608	5.4
85.06528	3.8
91.05493	16.2
93.07062	13.7
95.04984	14.0
95.08610	12.3
97.06540	100.0
99.08102	4.7
105.07026	9.8
107.08604	7.1
109.06493	6.0
109.10206	3.2
113.06019	2.4
115.07578	22.6
117.06995	6.2
119.08558	8.6
121.06519	3.0
121.10155	3.9
123.08040	3.0
129.07043	2.5
131.08586	6.4
133.06439	2.0
133.10100	8.0
135.08116	2.5
135.11705	4.4
143.08548	2.4
145.10130	2.7
147.11707	2.1
149.13309	4.4
153.22432	2.3
157.10049	2.2
159.11653	8.6
167.66985	1.9
169.10205	2.0
177.12764	5.8
183.11865	1.8
195.13828	4.6
214.46812	1.7
219.13828	2.2
223.13223	3.5
273.18591	4.5
291.19547	6.6
304.73709	1.8
309.20584	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26143	4.6
53.03934	5.0
53.23768	4.9
55.01863	9.8
55.05514	51.2
56.05024	9.4
57.03424	10.5
57.07072	19.9
67.05507	87.3
69.03416	9.4
69.07076	44.0
69.54253	27.0
71.04977	6.4
71.08635	45.0
74.06067	17.8
79.05080	5.8
79.05497	68.0
81.03397	5.1
81.06593	5.8
81.07060	100.0
82.75775	3.7
83.04987	26.9
83.08632	26.5
85.06538	8.8
88.07642	38.4
91.05489	35.1
93.07045	73.3
95.04948	27.0
95.08604	61.8
97.06542	20.3
97.10154	15.2
99.08096	38.9
100.11238	8.0
105.07053	29.6
107.08607	39.5
109.10158	22.7
111.08047	12.0
117.06992	11.0
119.08585	27.7
121.10149	32.1
123.08015	6.0
123.11700	6.4
125.09631	14.4
125.70425	4.3
129.06975	8.2
131.08557	20.1
133.10127	27.8
135.11736	19.7
137.09648	6.5
139.07524	8.6
139.11188	50.4
145.10127	10.3
147.11732	22.7
149.13261	27.3
151.11145	19.4
157.10120	8.0
159.11774	18.7
161.13202	13.7
163.11163	12.4
163.14848	9.5
165.12762	7.3
171.11719	6.4
173.11771	8.5
175.11166	7.2
175.14825	11.5
177.12704	15.4
179.14287	4.6
185.13280	6.9
193.12213	15.1
195.13835	16.5
203.12755	8.2
217.19473	5.5
221.15414	8.3
231.20964	5.1
235.17023	4.1
241.19518	16.5
241.23346	5.1
249.22168	5.0
259.20615	22.3
277.21649	80.8
291.23221	25.7
298.31073	8.3
309.24133	21.2
339.54080	4.6
344.31522	71.8
344.35403	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57952	4.8
53.03943	6.0
55.01861	7.6
55.05521	39.8
57.03443	7.3
57.07073	10.8
63.74035	5.0
65.34927	5.0
67.05511	95.7
69.03390	5.8
69.07076	29.7
70.33254	5.3
70.69510	9.4
70.69875	9.5
71.04987	8.7
71.08627	22.7
74.55050	4.7
79.05500	51.3
81.03419	7.2
81.07058	100.0
83.04992	16.1
83.08633	22.4
85.06541	7.2
91.05488	34.9
93.07055	75.3
95.04977	17.8
95.08611	38.5
96.73877	4.4
97.06522	17.7
97.10159	8.4
99.08109	23.8
105.07042	29.2
107.08569	33.1
109.10162	36.4
111.08091	13.0
117.07008	11.8
119.08600	21.0
121.10148	27.3
123.11710	7.2
125.09644	5.8
131.08580	14.3
133.10146	18.5
135.11703	26.0
137.09610	7.3
139.11232	29.1
145.10104	9.0
147.11723	10.4
149.13257	45.3
151.11147	12.7
155.10667	9.8
157.10208	5.4
159.11714	20.0
161.13260	15.3
173.11739	20.0
175.11099	7.4
175.14891	5.7
177.12779	13.0
187.13434	7.1
193.12286	8.3
195.13831	50.2
204.29018	4.6
213.14862	10.4
227.16333	4.6
231.21156	6.1
241.19591	10.0
259.20602	12.8
277.21677	60.4
291.23169	10.2
295.22827	15.8
309.24268	19.3
344.38129	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48798	4.3
53.03946	5.3
55.01872	9.9
55.05514	45.7
57.03444	11.3
57.07068	10.6
67.05515	72.2
69.03431	8.5
69.07079	34.8
69.59708	22.6
70.06599	16.6
70.92556	4.9
71.04987	7.6
71.08627	24.7
72.04503	5.2
79.05502	39.6
81.03454	4.8
81.07063	83.8
83.04992	22.7
83.08625	20.3
84.72852	4.4
88.07650	44.4
89.06037	10.2
91.05499	29.8
93.07059	64.9
95.04993	20.7
95.08617	48.2
97.06543	17.2
97.10176	16.7
98.20724	5.6
99.08109	12.9
105.07038	28.3
106.08653	7.4
107.08620	43.7
108.44502	4.9
109.10154	19.2
111.08106	8.5
117.07024	14.7
118.58552	5.0
119.08595	21.2
121.10147	22.9
123.08101	4.8
123.11729	10.0
125.09653	14.1
131.08572	14.5
133.08603	5.3
133.10162	24.0
135.11720	34.0
139.11227	39.1
145.10135	6.7
147.11702	19.5
149.13287	28.7
151.11107	7.5
157.10123	5.5
159.11726	11.4
161.13297	14.4
163.14827	8.2
165.12801	4.7
171.11803	5.5
173.13309	5.6
175.11328	5.5
175.14906	7.4
177.12747	10.4
185.13397	5.5
190.92363	5.6
193.12204	7.2
195.13795	21.6
199.14833	4.9
203.12825	15.9
207.13951	9.1
226.62170	4.5
241.19667	7.1
242.80573	5.5
249.22145	5.9
259.20499	10.1
277.21686	100.0
283.26285	13.3
291.23230	21.0
309.24329	23.3
335.69601	5.9
344.31686	28.5
344.35483	9.9
344.54105	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38371	1.5
51.66843	1.7
53.03941	2.2
55.01869	4.6
55.05509	49.6
58.44808	1.6
67.05502	22.8
69.03403	5.5
69.03753	1.8
69.06754	1.5
69.07071	12.5
71.08243	2.1
71.08632	42.9
72.17551	1.5
79.05492	21.2
81.03412	2.8
81.07050	21.9
82.35496	2.1
83.04975	3.6
83.08160	2.2
83.08619	30.7
85.06531	1.7
91.05494	8.4
93.07041	18.1
95.04989	2.4
95.08606	8.0
97.06505	2.4
97.09560	3.3
97.10172	64.5
98.20709	3.6
99.07495	3.0
99.08095	35.3
105.06997	5.1
107.08595	32.9
109.06448	1.7
109.10151	9.3
110.91380	1.5
111.08063	2.8
112.64912	1.7
117.07001	5.8
119.08602	3.6
121.10135	4.3
123.11712	2.1
125.09628	71.8
126.12763	2.0
131.08519	2.2
133.10086	4.5
135.08049	18.2
135.11656	5.6
139.07518	2.8
145.10100	3.6
147.11688	3.3
149.13301	3.9
151.11192	13.0
153.09103	12.6
154.54071	1.6
157.12233	4.9
161.13229	5.7
163.11186	6.0
171.10158	5.4
171.11674	2.7
175.14848	2.9
176.28542	1.5
179.14322	3.4
193.15823	3.8
203.12785	100.0
212.16533	2.0
217.19478	2.6
225.18401	5.3
231.21040	2.4
239.20015	2.4
241.19438	5.7
259.20587	7.7
265.39536	1.7
277.21628	57.5
291.20193	2.2
291.23196	16.3
309.24255	32.7
342.15430	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01876	12.3
55.05512	8.4
57.07079	1.7
65.03952	1.5
67.05502	10.5
69.07070	16.0
69.89169	3.6
69.89582	3.8
71.04998	1.7
74.61519	1.2
79.05496	10.8
81.03428	12.8
81.07071	10.4
83.04991	6.2
85.02886	1.4
88.07624	1.6
89.80685	1.4
91.05471	10.5
93.07044	12.6
95.04988	9.9
95.08613	11.2
97.06534	14.8
98.21404	2.7
98.73983	1.3
99.04498	2.2
105.07059	8.8
107.04962	48.9
107.08624	6.0
109.06551	2.8
109.10223	2.7
111.04459	5.9
117.01063	1.4
117.07035	3.2
119.08578	7.6
121.06527	5.7
121.10149	4.5
123.08103	3.3
128.06271	1.7
129.07047	4.3
131.08582	5.8
133.06471	3.0
133.10139	7.7
135.08057	3.0
135.11702	2.3
137.06078	1.5
143.08612	3.4
145.00528	3.2
145.10098	3.3
147.08052	3.2
147.11694	4.9
149.09619	34.8
151.11168	2.1
157.10149	5.3
159.08051	1.7
159.11713	4.0
161.09608	3.0
163.11150	3.5
171.11716	1.5
175.11194	3.9
177.09105	1.6
177.12833	1.7
193.12224	2.2
203.10806	1.8
235.13399	8.8
273.18552	8.1
284.29501	4.0
285.11249	1.5
291.19559	100.0
303.35745	1.5
309.16113	3.9
313.10913	4.9
331.43198	1.7
345.17764	1.8
345.31137	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	346.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20350	0.3
55.01864	0.6
55.05504	0.6
56.05026	0.4
57.03426	1.2
61.02918	1.4
69.03432	4.6
70.06585	1.6
71.51579	0.4
72.08148	2.7
73.02905	1.2
81.03413	1.3
84.04514	0.5
84.08136	1.3
85.02913	8.7
86.09694	0.7
87.04479	0.7
92.04986	0.4
97.02891	2.3
99.04445	1.1
101.00918	0.6
109.02886	1.1
110.06029	0.4
110.17662	0.4
116.07121	0.5
119.01944	0.9
120.04443	0.9
122.33681	0.4
127.02422	0.4
127.03919	4.1
129.10272	1.2
138.05515	2.3
143.01901	1.1
145.01646	0.5
145.04990	1.4
148.03940	42.8
155.01898	0.8
157.03445	0.5
159.03064	0.4
159.04962	0.4
161.02966	1.0
162.03128	0.6
163.02676	0.6
166.05009	89.0
167.05392	0.4
169.03464	0.4
171.14929	0.7
173.02962	0.7
174.03117	0.6
174.06268	0.4
183.05017	0.8
183.55331	0.5
184.06068	100.0
185.02946	1.2
193.57001	0.4
199.14319	0.6
203.04050	0.7
207.35059	0.4
227.04054	0.5
245.04997	1.0
246.05310	0.6
247.04825	0.7
257.04910	0.5
314.13049	0.4
334.81723	0.4
346.11346	3.0
346.15598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
54.93393	0.9
55.01869	2.0
55.05513	1.5
56.96538	1.0
67.05498	2.5
68.80559	0.8
69.03401	2.5
69.07063	1.6
69.35146	2.4
69.35568	4.0
70.06583	1.6
71.04985	4.7
79.05499	9.2
81.03405	1.4
81.07042	3.3
83.04924	0.9
86.09695	1.0
91.05451	4.7
93.07047	2.1
95.04974	2.2
97.06540	13.0
98.97582	1.9
99.04445	5.6
105.07062	8.0
107.04987	7.2
107.08592	2.7
109.06520	1.1
109.10172	1.6
113.06003	1.3
116.98681	0.9
117.07027	2.2
119.08578	11.5
120.08117	0.9
121.06523	2.0
124.07558	1.0
125.06008	2.0
128.06259	1.6
129.07036	1.5
130.12271	1.3
131.08557	1.1
133.10141	11.1
137.09619	2.5
143.08612	5.6
145.06491	1.7
145.10088	1.9
146.07253	2.0
147.06787	9.4
147.08052	10.4
158.99541	0.9
159.08076	1.5
160.11217	1.1
161.09630	38.5
162.05568	1.2
165.09114	5.2
170.08122	2.4
171.08005	2.1
176.07076	6.0
176.10730	9.3
177.07863	5.1
177.11414	1.4
179.10637	5.8
188.08208	1.0
188.10777	1.0
189.09142	9.3
190.08559	0.9
202.08475	1.3
202.12279	3.8
204.10199	7.3
205.10983	4.9
206.11778	1.2
207.10194	23.6
225.11183	2.7
226.03879	1.2
229.10983	1.0
230.58070	2.5
236.56244	1.0
248.56224	1.3
257.56854	4.0
258.15042	1.5
260.12848	1.7
264.57605	4.2
266.57285	3.0
269.26947	0.9
273.13602	14.8
273.58267	2.4
278.08087	1.1
293.10001	1.8
300.15967	3.2
302.17514	100.0
311.11249	5.5
328.21164	1.0
329.12289	14.8
346.16452	6.5
346.20139	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01869	1.3
55.52904	1.0
56.05028	3.0
57.03436	2.6
61.02925	5.6
67.99453	1.0
69.03434	12.4
69.07070	6.5
70.06579	5.6
71.04976	2.0
72.08146	3.9
73.02908	2.0
74.06052	1.4
81.03403	4.4
84.04497	4.6
84.08150	9.4
85.02908	57.8
86.09708	100.0
87.04442	1.8
91.03931	3.5
97.02891	16.1
97.06529	1.0
98.06070	1.0
98.97573	1.9
99.04455	2.9
102.05495	1.1
104.05338	1.8
107.04956	35.2
107.08565	1.2
109.02911	5.8
116.07107	3.0
120.06626	2.4
120.08090	1.2
121.06517	2.1
127.03908	12.7
128.49106	1.1
129.10216	2.7
130.08626	2.1
138.09093	2.2
144.59309	1.1
145.04959	22.5
147.04448	1.7
147.11298	3.3
149.05998	14.2
163.05986	2.6
166.08643	5.5
167.07080	7.7
173.06004	2.4
180.08659	11.5
184.09654	4.7
191.06921	1.1
199.18056	28.6
215.07051	6.6
215.13866	3.1
227.17555	15.3
233.08066	3.9
233.14954	3.4
257.08063	1.9
260.19736	1.7
275.09003	1.8
283.09525	1.7
293.10181	1.1
300.12454	3.6
328.22195	4.6
346.14972	3.2
346.22476	4.8
347.12643	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	24.3
57.03429	7.3
57.07068	5.8
58.66031	5.6
60.90808	5.4
62.64982	5.4
67.05504	51.3
69.07061	19.2
70.86557	7.8
70.86884	10.9
71.04974	7.5
78.31931	5.7
79.05505	42.7
81.07058	79.5
83.04970	8.4
83.08614	18.6
85.06523	6.4
91.05486	33.5
93.07063	49.0
95.04980	9.3
95.08619	34.2
97.06528	20.9
105.07037	24.6
107.08582	33.1
109.06481	7.4
109.10149	14.1
117.07047	10.2
119.08578	20.0
121.10138	21.3
123.08111	9.8
125.09653	6.1
131.08574	17.8
133.10123	26.9
135.08063	8.0
135.11731	12.7
145.10129	11.9
145.74216	5.5
147.11688	17.1
148.80998	6.0
149.09595	7.9
149.13245	20.8
157.10013	7.0
159.11757	11.5
163.11214	5.9
177.12724	8.9
183.11682	6.2
193.12418	9.1
195.13841	76.0
213.14790	36.0
215.57927	6.9
235.16971	9.8
275.20044	100.0
293.21008	11.5
314.11075	9.7
346.16611	7.3
346.20465	6.8
346.27328	17.6
347.05591	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	6.3
55.05521	31.3
67.05509	79.4
69.07069	26.0
70.12795	11.4
70.13200	12.4
71.04996	5.7
79.05498	47.1
81.07062	77.4
83.05003	5.8
83.08615	23.7
85.06532	7.3
87.61644	5.0
88.98620	5.2
91.05485	31.6
93.07039	44.7
95.04980	8.1
95.08618	35.4
97.06565	12.0
97.10172	21.7
105.07034	21.8
107.08593	45.6
109.06496	7.7
109.10160	70.7
111.08108	5.5
117.07012	7.2
119.08617	25.3
121.10141	16.0
123.15173	5.7
125.09640	17.2
131.08604	9.1
133.10135	22.7
135.08054	11.6
135.11665	12.2
137.09601	5.8
145.10135	10.1
147.11699	9.2
149.09656	14.5
149.13254	20.6
155.10687	53.1
159.11722	18.9
161.13179	6.0
163.11206	5.5
163.65305	4.8
173.11772	79.5
173.13216	8.8
177.12723	13.9
179.14227	6.2
189.11232	21.6
195.13841	78.1
213.14864	29.7
239.17888	5.9
257.19220	6.7
271.82025	5.5
275.20084	100.0
281.28009	5.2
293.21179	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	346.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13251	0.4
52.38605	0.4
56.33833	0.3
57.06830	0.5
57.07081	6.4
58.06598	1.6
61.82293	0.3
63.58324	0.3
70.06595	12.3
70.21962	1.1
71.08641	2.5
72.08170	0.7
85.10170	1.0
85.52415	0.4
87.00378	0.3
88.07635	19.5
91.64722	0.4
102.09188	12.2
114.94263	0.3
132.10231	1.0
146.11713	0.8
150.11288	0.8
163.35075	0.3
237.82590	0.3
239.41975	0.4
240.26958	1.0
284.29495	41.2
285.29834	0.6
319.77127	0.4
328.32184	2.6
346.33173	100.0
347.33472	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1238
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
53.03945	0.5
55.01862	2.2
65.03950	2.8
65.04228	0.5
67.05504	3.8
69.03429	0.7
69.07073	0.7
69.94440	1.7
70.06589	0.6
72.08129	0.8
75.95285	0.5
79.05490	0.8
81.07053	0.7
84.04482	0.6
85.02895	0.8
86.09715	0.8
91.05466	0.6
92.05005	11.2
93.07046	0.7
94.06559	0.9
95.04955	1.6
95.08595	0.7
96.04494	1.4
98.06056	0.8
99.27174	0.5
108.04471	0.6
110.06013	1.4
120.04466	6.2
121.10149	0.9
122.06037	1.8
129.07022	0.8
134.05998	1.5
136.07654	1.0
138.05516	10.6
146.06021	0.9
148.03941	1.3
149.05997	0.5
153.07034	0.6
155.01015	0.6
155.08647	0.5
158.06068	0.8
162.05515	1.6
164.07069	6.4
166.05020	6.8
167.07166	0.6
167.10779	0.6
168.06644	0.5
168.08058	0.8
170.09674	2.5
171.09044	0.5
172.07544	1.0
176.07076	1.7
182.08141	7.4
183.06750	0.8
184.07559	0.9
184.11266	1.0
185.04556	0.9
185.10674	0.7
186.09207	0.6
188.11057	0.5
193.12283	0.7
196.07599	1.3
198.07628	0.8
198.09190	8.3
199.08620	3.5
200.09460	0.9
201.10283	0.9
208.06053	2.3
210.09169	1.3
212.07027	0.8
212.10803	2.3
213.06613	2.0
213.10217	6.1
214.08673	2.8
214.10994	1.6
215.08192	1.6
223.08623	0.5
224.07109	0.9
226.08682	15.0
227.08087	5.1
227.11852	1.8
229.09727	1.1
231.11253	1.1
237.10327	0.9
238.08612	1.7
239.11833	1.0
240.10214	3.6
241.09709	24.1
242.10501	3.3
247.10840	0.6
255.11314	4.7
256.09750	2.6
257.09332	0.6
258.11264	2.1
259.10849	4.2
260.11566	1.4
265.09726	1.5
267.11310	2.3
268.09790	6.1
269.09189	6.4
270.07648	0.7
273.12659	1.0
283.10785	4.9
284.09225	3.2
286.10745	4.5
286.16464	0.6
287.10251	13.7
291.02261	0.6
293.09308	1.0
301.11841	12.3
311.10175	4.1
312.08755	0.8
319.12936	4.4
329.11203	4.6
330.09714	0.9
347.12390	100.0
348.12500	1.7
348.20096	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05484	0.7
57.07074	1.7
60.04517	2.8
67.05485	0.8
70.06580	1.4
71.53560	0.6
81.07053	0.8
88.07642	3.2
89.07982	1.0
95.08660	0.7
102.09162	1.0
105.07046	1.1
121.10133	0.7
133.63007	0.7
135.08054	1.0
141.56415	0.6
159.78622	0.6
165.12854	0.7
180.87878	0.7
185.04460	2.8
193.05049	0.7
264.00082	0.7
285.29868	4.3
299.31262	1.1
302.44052	0.7
329.32526	1.4
338.19260	0.8
347.21945	100.0
347.33475	19.5
348.22049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05524	0.5
56.05035	1.2
57.07075	2.2
58.06608	0.8
60.04515	2.0
70.06574	0.7
71.08627	1.0
71.53704	0.7
74.06094	1.5
79.05510	0.5
88.07635	6.4
89.07957	1.1
93.07085	0.8
95.08575	0.6
100.27975	0.5
102.09175	1.4
118.08642	0.6
122.08157	0.6
135.08052	0.9
145.22641	0.5
151.11252	0.6
158.98686	0.6
185.04306	0.6
249.14723	0.7
267.28766	0.5
284.29599	0.6
285.29849	3.8
299.31448	4.7
327.66846	0.6
329.32568	1.7
347.21957	100.0
347.33487	31.1
348.22318	1.3
354.31830	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.4
55.05517	39.5
57.03424	10.2
59.04980	6.2
66.66893	5.3
67.05508	100.0
69.07060	12.2
71.08624	12.5
71.13266	12.3
79.05491	24.3
81.07061	66.2
83.08620	26.4
85.06557	6.8
91.05495	15.3
93.07044	42.3
95.04926	6.9
95.08613	26.0
97.06535	12.7
97.10176	16.6
99.08105	15.1
105.07039	13.9
107.08594	30.1
109.06558	5.5
109.10164	84.5
111.08088	8.9
119.08588	10.6
121.10161	11.8
125.09645	16.1
133.10168	16.5
135.11681	13.7
137.09554	6.8
139.11134	9.1
149.13252	30.5
151.11237	10.2
155.10670	54.4
159.11723	6.3
163.11298	6.1
173.11728	79.1
177.12807	14.5
179.14331	5.9
189.11214	19.3
195.13808	61.9
213.14844	30.5
270.09775	5.2
277.21680	62.4
291.58044	5.2
295.22711	30.2
338.83347	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	349.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
53.69390	0.7
57.03426	2.4
61.02921	1.9
63.95751	0.8
69.03432	17.3
69.54012	5.6
71.04990	5.3
74.21838	0.8
81.03422	26.8
83.04971	0.8
84.04500	3.5
85.02907	59.0
85.04845	1.9
92.47830	0.7
97.02911	4.6
99.04454	31.4
103.03944	57.8
106.13980	0.9
109.02885	25.7
118.29570	0.7
126.05561	1.3
127.03918	100.0
128.98126	0.9
145.04955	12.6
164.82487	0.8
165.00327	0.8
167.33278	0.8
173.75955	0.9
187.06017	6.7
200.49838	0.8
216.32474	0.9
252.16498	0.9
253.07059	4.7
271.08209	2.1
296.48938	0.8
322.69110	0.8
349.13321	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17289	0.7
53.03946	6.5
55.05507	1.5
57.03438	3.2
57.07066	1.5
60.52982	0.6
61.02917	2.6
67.05504	1.0
69.03429	18.1
70.06590	2.9
71.04998	5.9
71.51929	1.2
73.02895	1.0
79.05475	1.4
80.33021	0.6
81.03419	30.3
81.07045	1.9
83.04967	1.0
83.08613	0.8
84.04484	4.2
85.02908	58.9
85.04847	1.4
85.06518	1.8
86.09693	3.3
91.05488	0.8
93.07068	0.9
95.08574	0.8
96.20355	0.8
97.02909	4.6
98.06067	1.7
98.97559	0.7
99.04455	27.8
103.03944	59.1
109.02880	25.1
111.04440	2.3
116.07047	0.9
125.24641	0.7
127.03918	100.0
127.96732	0.6
139.03925	1.1
145.04970	12.3
147.04427	0.9
151.03902	1.5
159.10185	0.8
163.03938	2.9
163.05983	1.6
167.75087	0.7
169.04939	0.9
169.08627	0.9
187.06039	8.0
207.06613	1.2
247.11772	1.4
253.07124	3.2
266.88416	0.7
271.08130	2.4
287.16788	1.8
331.19763	1.2
349.13437	2.5
349.18216	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.05510	0.9
57.03434	2.2
58.61156	0.8
61.02923	2.0
62.82140	1.0
66.14012	0.7
66.32307	0.7
69.03430	17.1
69.53948	5.2
71.04992	6.0
77.11087	0.7
81.03419	24.9
84.04507	3.7
85.02906	60.4
97.02902	3.6
99.04457	28.8
103.03944	61.5
109.02880	25.6
117.05700	0.8
127.03918	100.0
131.08533	0.8
133.06415	0.9
145.04961	11.3
154.13538	0.8
163.06090	0.9
183.46082	0.8
187.06032	7.2
208.68182	0.8
247.11848	1.5
253.07048	3.5
258.17422	0.8
271.08127	2.9
349.13464	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	349.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05507	14.0
56.96571	38.8
57.03426	9.3
67.05512	30.9
69.03454	3.7
69.07066	20.8
69.17831	15.6
69.18258	23.8
71.95269	7.2
79.05496	32.0
81.03378	4.6
81.07056	54.3
83.04981	5.6
83.08609	7.0
84.96039	5.3
91.05480	28.4
93.07035	34.5
95.04962	9.9
95.08637	20.8
97.06533	5.2
99.28555	3.8
105.07024	28.5
107.04973	5.9
107.08615	23.1
109.06522	17.7
109.10155	9.3
110.97528	6.1
111.08041	4.2
111.71127	3.6
117.07030	8.2
119.08605	23.0
121.06584	5.0
121.10127	7.7
123.08068	12.1
128.53513	4.0
128.98576	9.0
129.07002	4.0
131.08588	13.2
133.10133	22.3
135.08064	7.5
135.11681	4.5
137.09633	4.4
141.06946	3.7
143.00061	4.2
143.08434	4.3
145.10085	18.6
146.99686	5.2
147.11676	13.9
149.09644	6.3
149.13300	4.8
157.10141	5.5
159.11771	11.1
160.03928	30.1
161.13280	6.6
173.13246	5.2
179.14323	9.7
181.01660	5.6
189.04427	4.4
199.06468	5.5
202.08653	7.5
217.07576	6.2
219.17439	5.7
243.09134	4.8
247.20576	5.1
255.09032	5.4
257.18927	7.3
266.07614	4.6
275.20074	39.0
277.11179	4.4
315.06033	5.1
331.15741	57.4
349.12494	12.0
349.16617	100.0
349.23807	37.1
349.27383	13.2
367.17990	34.1
372.18564	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	349.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.03428	0.8
57.07064	2.2
67.05513	3.2
69.07072	3.6
69.57055	2.3
69.57460	1.4
71.08637	1.1
79.05482	2.5
81.07074	4.3
83.08598	1.0
85.06508	1.3
89.06013	0.8
91.05460	1.4
93.07042	2.2
95.08631	4.4
97.06506	1.0
105.07026	2.9
107.08591	1.9
109.06522	6.2
109.10150	1.9
117.07007	0.8
119.08547	2.1
121.10118	1.8
123.07227	0.9
123.08079	16.1
123.11727	0.8
131.08595	1.1
133.10144	2.0
135.08054	1.8
135.11679	1.4
137.09564	0.7
145.10139	1.6
147.11713	1.6
149.09653	1.1
149.13287	1.0
161.13126	0.6
173.13295	0.7
179.14326	26.1
205.16003	0.6
209.11436	0.6
220.82423	0.6
249.14734	0.9
264.48621	0.6
271.59351	0.6
273.28998	0.7
275.20010	1.9
293.21136	2.4
297.82990	0.7
331.26184	1.0
349.23447	100.0
349.27408	39.4
350.23804	1.6
350.27737	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
57.07080	0.7
67.05489	1.0
69.07069	1.5
70.21877	1.1
70.22253	1.6
76.66774	0.7
79.05496	1.0
81.07045	2.1
83.08592	1.1
91.05473	0.7
93.07044	0.9
95.08603	2.1
105.07020	0.9
107.08578	1.1
109.06527	3.1
109.10162	1.2
111.08147	0.5
112.40570	0.6
119.08578	1.1
121.10107	0.8
123.08087	5.7
137.09561	0.7
145.10225	0.5
179.14322	9.3
211.21141	0.6
275.20178	0.7
282.97403	0.5
293.21225	1.3
349.23526	100.0
349.27399	16.4
350.23849	2.2
371.14938	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65371	1.6
53.03943	14.2
54.42791	1.5
55.01876	16.0
55.05270	2.1
55.05513	23.4
55.38723	1.7
57.03440	17.3
57.07071	2.1
67.05505	71.2
69.03410	1.9
69.07071	59.4
69.30455	11.6
71.04995	2.9
79.05493	54.5
81.03422	35.7
81.07056	100.0
83.04994	13.6
83.08614	12.8
85.06526	2.5
88.07588	2.1
91.05480	76.3
93.06491	3.4
93.07050	55.6
95.01332	19.6
95.04979	20.1
95.08605	55.1
97.02858	2.4
97.06538	22.4
97.10177	4.3
99.08089	2.7
103.05480	2.4
105.07030	88.5
107.04960	32.8
107.08596	26.4
109.06527	14.2
109.10145	13.5
111.08059	4.3
115.05379	2.4
117.07018	23.5
119.07719	2.2
119.08584	45.7
121.06494	6.0
121.10152	15.5
123.04404	4.5
123.08052	14.4
123.11712	2.5
125.09612	3.9
129.07011	4.7
131.08583	30.2
133.06535	3.2
133.10132	53.2
135.08057	6.9
135.11687	14.9
137.09605	4.3
139.07516	2.5
141.06976	4.2
143.08536	4.8
145.06493	7.0
145.10121	21.1
147.11685	22.6
149.09618	10.7
149.13257	10.0
151.11221	2.4
153.30521	2.2
155.08591	2.4
157.10094	5.5
159.11684	19.8
161.09615	3.4
161.13268	6.1
163.11195	5.8
165.09116	3.5
169.10109	5.3
171.11687	6.4
173.13301	5.0
175.11269	2.1
175.14851	2.3
177.12706	9.1
179.14307	29.6
183.11691	3.0
187.11214	9.3
187.14847	2.4
193.12099	2.6
195.13846	2.6
197.13274	2.0
205.12166	1.9
215.17839	2.1
216.23819	2.0
223.13193	3.4
229.19705	2.7
239.18025	3.5
241.14326	1.8
247.20580	4.7
257.18869	9.6
275.20065	83.3
287.30225	2.2
293.21054	2.3
349.23709	66.0
349.27435	11.4
349.33786	16.5
365.53342	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	21.6
55.01859	12.2
55.05513	29.4
57.03441	23.3
57.40385	3.2
60.85334	3.1
65.03939	4.9
67.05511	81.7
69.03425	5.6
69.06734	5.3
69.07076	73.0
69.61842	20.1
79.05088	2.5
79.05497	58.2
80.70341	2.9
81.03417	34.2
81.07064	100.0
83.04969	14.2
83.08600	13.6
85.06528	4.3
91.05490	73.1
93.06483	5.2
93.07047	71.1
95.01337	25.5
95.04990	19.2
95.08614	69.6
97.02901	3.0
97.06522	21.2
97.10186	3.3
105.07040	99.7
107.04969	43.5
107.08601	33.0
109.06519	10.1
109.10159	10.6
111.04388	3.2
111.08057	5.6
117.07047	24.5
119.08585	60.0
120.64690	2.7
121.06477	8.4
121.10120	17.4
123.08076	23.3
125.09595	5.0
129.07024	5.7
131.08572	37.2
133.06549	3.7
133.10141	59.2
135.08054	9.2
135.11703	15.0
137.09576	5.1
139.37321	3.4
141.07008	6.9
143.08589	3.3
145.06480	7.5
145.10136	32.3
147.11694	25.5
149.09593	11.5
149.13202	6.3
149.86209	3.2
157.10143	6.9
159.08034	3.7
159.11690	29.0
161.09584	3.5
161.13277	11.1
163.11215	7.6
169.10167	5.0
171.11702	6.8
173.13246	5.9
177.12762	9.2
179.14340	33.2
185.13474	3.4
187.11168	8.0
189.47824	3.1
197.13284	4.5
200.09785	3.2
205.12308	3.6
219.17387	10.5
239.18040	3.9
241.14264	3.9
247.20692	5.6
257.19080	8.2
275.20081	88.8
301.19916	5.1
303.23224	4.4
349.23709	70.9
349.27185	6.0
349.34073	16.1
350.17746	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.8
55.01881	17.2
55.05274	3.5
55.05516	50.2
57.03439	18.8
57.07049	3.2
65.03938	4.2
67.05508	66.8
69.03426	4.9
69.06740	2.5
69.07073	41.1
71.04980	6.5
71.52609	3.0
77.03884	2.9
79.05495	100.0
81.03409	15.0
81.06598	3.1
81.07057	61.8
83.04981	30.1
83.08623	17.2
85.06534	6.7
91.05482	61.6
93.07043	69.6
95.01305	7.7
95.04983	13.7
95.08614	35.9
97.06525	15.7
97.10162	15.4
105.04541	2.5
105.07035	65.0
107.04964	38.3
107.08594	57.3
109.06495	6.5
109.10165	24.4
111.08074	3.5
115.05489	2.4
117.07021	18.9
119.07812	3.2
119.08578	38.6
121.06525	5.7
121.10141	21.4
123.08056	8.0
123.11650	5.3
125.09623	15.9
129.06961	2.7
130.73074	2.3
131.00104	2.6
131.08582	25.3
133.10144	42.6
135.08051	7.5
135.11679	7.5
137.09575	5.9
141.06972	4.8
143.08594	5.0
145.06496	2.8
145.10135	21.8
147.11673	23.2
149.09622	40.9
149.13185	2.7
151.11118	2.6
155.08559	3.5
157.10120	5.0
159.11685	17.4
161.13229	9.2
163.11090	3.2
163.14832	5.7
169.10132	2.9
169.12245	3.5
171.11670	5.8
173.11806	4.3
173.13232	6.2
174.99124	3.0
175.11150	2.8
177.12706	7.3
179.14272	14.9
183.11728	3.6
185.13318	3.1
187.11188	6.3
189.11208	8.5
191.14230	3.2
201.12720	3.2
209.15369	6.8
215.18089	3.0
229.19487	4.9
239.17938	4.4
247.20659	4.8
255.17503	4.7
257.19028	17.0
261.14975	3.9
275.20078	82.2
293.21085	2.9
349.12784	10.1
349.19986	3.7
349.23685	77.0
349.27292	6.2
349.34015	7.7
350.23624	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	349.2373
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
51.02374	2.2
53.03940	4.7
55.01881	11.1
55.05513	29.6
57.03197	2.2
57.03441	24.2
65.03933	5.9
67.05505	53.0
69.03431	2.9
69.07070	30.6
71.04990	4.1
71.53024	2.2
79.05495	69.5
80.05752	2.2
81.03413	6.6
81.07058	50.1
83.04970	8.2
83.08620	12.9
84.04494	7.4
85.02915	4.7
85.06543	5.1
86.09731	4.5
91.05480	51.0
93.07042	54.1
95.04961	8.9
95.08607	26.7
97.06535	12.4
97.10165	12.2
99.08090	2.2
103.03924	2.6
103.05466	2.4
105.07030	74.6
107.04972	20.0
107.08595	76.5
109.06518	8.3
109.10173	13.3
111.08109	5.9
113.09673	2.0
117.07008	23.8
119.08585	40.4
120.08118	19.0
121.06519	5.1
121.10149	15.8
123.08052	5.4
125.09629	14.9
127.03891	1.9
128.06186	2.2
129.06999	7.8
130.07838	3.2
131.08582	33.9
133.06444	2.0
133.10130	36.9
135.08009	4.8
135.11673	8.5
137.09660	2.5
141.06978	4.0
142.07732	2.1
143.08554	11.4
145.10127	71.4
147.11687	32.6
149.09625	18.9
149.13321	3.1
153.09059	2.4
153.12816	2.8
155.08548	4.6
157.10159	10.1
159.11696	29.0
161.09612	4.2
161.13252	10.2
163.11176	8.7
166.08641	6.2
169.10115	3.7
171.11673	11.3
173.09680	2.6
173.13254	8.2
175.14836	3.3
177.12674	2.9
179.14337	3.3
183.11694	10.5
185.13319	15.6
187.11101	3.1
187.14769	3.5
189.11266	9.1
197.13257	8.6
201.16486	2.7
203.14314	6.0
211.15038	2.3
215.14224	2.3
219.17534	9.7
229.19397	3.9
239.17978	20.1
247.20724	2.4
248.38171	2.3
257.18985	52.9
275.20074	70.6
331.22726	8.7
349.13123	2.8
349.19858	20.9
349.23746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03933	5.2
54.04722	1.7
54.36940	1.9
55.01858	4.1
55.05516	21.6
56.96555	5.9
57.03440	37.6
57.07072	3.6
59.04993	2.1
65.03941	2.2
67.05509	42.8
69.07068	20.7
70.10282	6.7
71.04975	5.2
71.08591	2.8
77.03927	1.6
79.05495	55.6
80.01385	1.6
81.03417	4.4
81.06595	2.6
81.07060	49.3
82.07404	1.9
83.04970	5.4
83.08639	10.2
85.06548	7.7
91.05484	66.7
93.07047	59.8
93.07639	2.7
95.04974	10.7
95.08604	37.8
97.06545	10.2
97.10151	3.0
98.98447	2.5
99.08087	4.4
103.05486	1.5
105.07033	69.5
107.04959	5.9
107.08601	33.9
109.06542	9.3
109.10139	12.5
111.08086	4.7
115.05434	2.7
117.06223	3.3
117.07005	28.8
117.07765	2.7
119.08586	57.3
120.04476	3.1
121.06500	4.0
121.10166	18.8
123.08048	5.6
123.11638	2.0
125.09605	2.6
126.18392	1.7
128.06212	2.5
129.05476	1.9
129.07018	10.4
130.07800	2.0
131.08568	40.5
133.10138	32.4
135.08022	5.1
135.11703	11.1
137.09642	3.6
139.11127	2.5
141.06976	2.7
142.07741	2.3
143.08542	15.5
145.06372	2.5
145.10124	47.6
147.05528	4.0
147.08044	2.9
147.11687	28.6
149.09550	9.1
149.13248	5.3
151.11151	3.6
155.01012	4.2
155.08582	3.7
157.10118	14.5
159.11702	50.1
161.09608	4.5
161.13249	14.3
163.11182	7.4
169.10127	6.3
171.10419	1.6
171.11641	7.9
173.13268	19.0
175.11197	3.1
175.14789	5.3
177.12749	4.8
179.10695	1.7
179.14360	2.0
183.11679	10.3
185.13275	25.9
187.11249	1.8
187.14874	2.8
191.14204	2.3
195.11649	1.7
195.13791	2.7
197.13277	7.2
201.12802	2.1
201.16402	4.2
203.14314	11.4
211.14890	3.3
213.16272	2.0
215.17871	2.8
219.17445	21.4
221.15315	1.8
229.19533	6.2
239.17990	18.1
241.07347	2.2
257.19003	45.5
259.08652	2.3
265.04553	2.6
275.20065	51.5
277.18063	3.4
283.05533	2.7
293.07788	3.4
293.21109	3.0
331.15567	2.3
331.22723	7.6
349.19928	12.4
349.23761	100.0
350.17035	2.4
367.17987	7.1
368.18292	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	349.2374
Annotation	Topsentolide C1
Peak:m/z	Relative Intensity
53.03944	9.7
55.01876	12.5
55.05517	46.2
56.96555	4.7
57.03442	18.7
57.07061	2.5
59.04982	2.2
65.03927	2.6
67.05509	63.9
68.96105	1.5
69.03417	5.1
69.07072	29.7
70.31947	1.6
70.65013	5.3
71.04980	6.2
76.85667	1.6
79.05497	100.0
81.03427	9.1
81.06591	3.4
81.07060	65.0
83.04990	29.1
83.08629	13.2
85.02903	2.5
85.06554	2.2
86.76695	1.9
91.04913	2.4
91.05486	59.8
93.07050	73.7
93.07640	3.8
95.01337	4.3
95.04971	10.8
95.08602	34.8
97.06525	13.2
97.10181	15.7
99.08080	2.5
103.05447	2.1
105.06330	2.7
105.07035	54.4
107.04955	28.9
107.08601	68.5
109.06516	7.5
109.10155	24.2
111.08071	4.7
117.07010	20.0
119.08590	38.0
121.06476	4.3
121.10151	27.4
123.08067	7.1
123.11703	5.9
125.09634	16.0
129.06992	4.2
131.08582	25.3
133.06517	1.9
133.10141	33.9
135.08047	10.0
135.11714	11.8
137.09596	3.0
141.06976	2.6
143.08585	4.8
145.10115	21.8
147.11691	22.7
149.09631	49.3
149.13245	4.6
151.11205	1.9
153.09097	3.5
155.08545	2.7
157.10124	3.6
159.11710	18.8
161.09648	2.3
161.13275	10.4
163.11195	8.3
163.14803	4.8
165.09108	2.7
169.10129	5.6
169.12238	5.1
171.10191	1.7
171.11687	3.0
173.11768	4.4
173.13264	9.6
173.55196	1.7
177.12784	3.9
179.14313	7.8
183.11705	5.7
187.11151	4.2
189.11224	9.0
189.12733	2.3
191.14349	3.2
197.13318	3.3
199.06445	2.4
201.12579	2.1
205.12204	3.5
209.15385	6.2
210.40692	1.9
229.01340	2.5
229.07576	2.5
229.19563	5.6
231.08905	1.9
239.17949	5.7
243.08969	2.2
247.08543	1.7
247.20613	5.1
257.18982	13.0
275.20062	68.2
328.64200	1.6
331.15875	3.9
349.17081	9.5
349.23743	84.1
350.24066	3.0
367.17844	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	349.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.2
55.05513	10.4
57.03423	3.0
57.07064	5.4
67.05506	17.8
69.03400	2.4
69.06796	1.2
69.07074	13.5
71.04969	2.2
71.08631	3.2
71.15738	1.5
71.54380	1.4
79.05487	17.3
81.07061	26.7
83.08612	5.5
85.06491	2.1
91.05486	20.9
93.07046	30.2
95.04960	9.8
95.08612	28.2
97.06523	5.4
97.10159	1.8
103.05449	1.7
105.07037	36.8
107.08595	24.7
109.06530	20.3
109.10172	19.3
115.05470	2.0
116.06238	2.5
117.06983	6.5
119.08585	37.7
121.06517	3.3
121.10149	36.9
121.11025	1.7
123.08070	40.2
123.11671	8.7
128.06216	3.7
129.06976	7.4
130.07755	5.0
131.08562	20.5
133.10150	18.7
135.08041	9.3
135.11717	10.2
137.09665	4.2
141.06981	2.1
142.07777	6.4
143.08577	11.9
144.09335	3.4
145.10130	22.9
146.10614	1.3
147.07964	1.7
147.11717	9.7
149.09607	5.7
149.13268	1.9
151.09698	1.6
153.06993	2.0
155.08554	4.1
156.09314	4.7
157.10143	18.4
158.10968	1.8
159.11731	11.7
161.09628	7.2
161.13245	6.0
166.07866	1.8
167.08562	2.7
169.10168	7.5
171.11697	6.8
173.09747	1.6
173.13266	8.7
175.14842	4.6
179.08528	3.4
179.14319	65.6
180.09288	1.5
181.10106	3.2
182.10831	2.6
183.11687	7.0
185.09685	1.4
185.13287	5.9
187.14801	12.5
189.12794	1.6
193.10182	2.0
194.10976	2.5
195.11726	6.1
196.12463	1.8
197.13222	4.5
199.14879	3.8
201.16418	2.3
207.11699	1.7
209.13243	9.5
211.14867	4.4
213.12764	1.7
213.16368	2.5
221.13162	2.1
223.14766	2.9
225.16463	3.6
227.14305	5.3
235.14766	1.7
239.17972	3.0
240.18617	1.8
251.17857	1.7
255.17435	2.2
265.19495	3.7
275.20230	2.3
293.21109	5.3
349.27640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39952	1.8
52.73643	1.7
53.03956	4.2
55.05523	13.0
57.03444	3.5
57.07073	6.2
66.56260	1.9
67.05508	21.9
69.07069	17.4
69.37673	11.8
69.38081	2.7
71.04998	4.0
79.05494	23.6
81.07060	31.7
83.04951	2.8
83.08600	7.0
85.06563	2.8
91.05483	31.0
93.06488	3.6
93.07050	42.3
95.04980	14.3
95.08604	28.0
97.06514	10.2
97.10179	1.9
98.21465	4.3
99.08105	2.1
103.05437	2.5
105.07037	48.5
107.08597	32.2
109.06512	21.7
109.10156	26.6
111.08082	2.7
117.07034	12.0
118.51035	2.0
119.08590	54.1
121.06515	4.5
121.10149	50.0
123.08067	45.4
123.11694	4.6
128.06198	4.8
129.07013	6.5
130.07774	4.3
131.08574	24.2
133.10147	25.9
135.08067	6.8
135.11693	14.6
137.09586	5.9
141.07001	3.5
142.07788	9.4
143.08583	16.3
144.09361	4.5
145.06546	2.3
145.10118	29.5
146.07280	2.2
147.08014	2.7
147.11687	14.9
149.09641	9.4
149.13243	3.7
155.08559	5.5
156.09358	6.5
157.10149	22.2
158.10925	2.2
159.11707	18.5
161.09618	12.1
161.13261	6.2
163.11186	2.1
165.06975	1.9
167.08527	3.9
168.09363	2.6
169.10132	8.8
170.10884	2.1
171.11723	13.9
173.13272	10.6
175.14880	5.4
177.12683	2.1
179.08501	2.5
179.12747	3.5
179.14322	64.6
180.09384	2.2
181.10112	4.3
182.10927	3.9
183.11720	9.4
185.09753	2.4
185.13245	11.7
187.11147	2.0
187.14845	12.6
189.12740	3.6
193.10048	3.0
194.10915	2.8
195.11682	6.4
196.12480	3.9
197.13301	6.9
199.14789	8.1
207.11800	2.1
209.13229	9.7
210.14052	3.2
211.14821	5.6
213.16376	3.7
221.56776	1.8
223.14757	5.9
225.16344	2.9
227.14278	3.7
237.16374	2.6
239.17943	4.9
253.19408	2.9
265.19547	3.8
266.20160	2.6
267.21014	2.2
274.15433	1.9
275.20148	5.0
293.21158	7.9
297.21268	1.9
331.26392	2.4
349.27731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01865	0.4
55.05298	0.4
55.05515	3.9
56.61760	0.4
57.03405	0.5
57.07061	1.2
64.28852	0.4
67.05508	3.7
69.07075	7.2
69.45473	2.6
71.04993	0.6
71.08600	0.7
79.05494	2.4
79.20068	0.4
81.07063	5.9
83.04996	0.5
83.08616	3.4
85.06533	0.9
91.05480	1.2
93.07042	3.8
95.04942	0.6
95.08601	5.1
97.06533	1.3
97.10159	0.5
98.20706	0.4
99.08082	0.6
105.07074	2.1
107.08613	3.6
107.34826	0.4
109.06522	10.1
109.10145	2.5
111.08067	1.8
114.62183	0.4
117.19810	0.4
119.08571	2.2
119.91917	0.4
121.06547	0.6
121.10159	2.6
122.07291	0.9
123.08073	46.8
123.11713	1.3
125.09610	1.0
131.08673	0.5
133.10132	1.7
135.08055	4.0
135.11674	1.2
135.98055	0.4
136.08846	0.5
137.09616	2.8
137.13260	0.6
147.11679	1.5
149.09607	0.9
149.13260	1.3
151.11148	0.4
159.11647	0.6
161.13255	1.1
163.11172	0.6
165.12743	0.4
168.74883	0.5
173.13205	0.5
177.12703	0.5
179.14322	16.0
233.18971	0.6
275.20078	1.1
289.25201	0.5
293.21127	12.5
331.26166	2.0
349.27383	100.0
350.27689	2.1
374.69598	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2736
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03959	0.3
55.01866	0.4
55.05516	2.6
56.42221	0.3
57.03434	0.5
57.07078	3.6
59.04987	0.4
60.68558	0.3
67.05508	3.6
69.07069	5.6
71.04976	0.5
71.08636	2.7
73.06547	0.3
79.05492	2.4
81.07055	6.0
83.04971	0.9
83.08609	1.6
85.06562	1.8
87.05230	0.3
91.05483	1.7
91.05959	0.3
93.07044	3.5
93.55363	0.3
95.04965	0.6
95.08607	6.0
97.06523	1.2
97.10191	0.6
98.21546	0.7
99.08085	1.1
105.07034	1.9
107.08585	3.1
109.06520	15.8
109.10165	2.4
111.08080	1.1
117.07009	0.4
119.08579	2.8
121.06525	0.5
121.10162	2.5
122.07278	1.3
123.08072	36.5
123.11716	0.9
125.09658	0.4
133.10104	1.5
135.08044	3.1
135.11736	0.8
136.08844	0.5
137.09634	1.2
145.10095	0.7
147.11649	1.5
149.09624	0.6
149.13275	0.9
151.11159	0.5
157.10049	0.3
159.11732	1.0
161.09683	0.3
161.13277	0.5
163.11055	0.3
165.12740	1.0
167.14328	0.7
179.14314	75.6
180.14607	0.6
187.14894	0.6
193.15863	2.1
233.19081	0.5
247.20575	0.4
275.20081	0.8
285.88123	0.3
289.25177	0.6
293.21063	5.2
307.22501	0.3
331.26279	2.2
349.27377	100.0
350.27640	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01856	0.5
55.05508	3.9
57.03431	0.7
57.07077	2.2
61.00924	0.4
67.05508	3.7
69.07071	8.0
69.15903	3.7
69.16309	1.0
71.04997	0.9
72.88670	0.4
79.05488	3.7
81.07061	6.5
83.04998	0.6
83.08609	3.3
85.06550	0.7
91.05480	1.9
93.07053	3.7
95.04945	0.7
95.08054	0.7
95.08608	6.4
97.06527	1.8
97.10175	0.5
99.08089	0.5
102.45321	0.4
105.07046	3.4
107.08600	3.8
109.06519	9.6
109.10180	3.0
111.08063	1.5
113.23109	0.4
119.08589	3.7
121.06503	0.7
121.10139	2.6
122.07284	0.8
123.08073	45.9
123.11718	0.9
124.08419	0.5
125.09644	0.8
131.08575	1.0
133.10100	2.9
135.08051	3.4
135.11684	1.8
137.09608	2.6
137.13315	0.7
143.20163	0.4
145.10138	1.8
147.11693	1.9
149.09624	1.5
149.13303	1.5
151.11128	0.4
157.10277	0.5
159.11719	1.4
161.13281	0.9
163.11269	0.6
165.12726	0.7
167.14326	0.6
173.13261	0.7
175.14789	0.5
177.12706	0.7
179.12750	0.9
179.14319	18.5
193.15805	0.5
209.83873	0.4
275.20099	2.3
276.86826	0.5
289.25217	1.0
293.21121	12.4
307.22745	0.7
331.26440	3.1
331.93997	0.4
349.27380	100.0
350.27670	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	349.2737
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
52.89923	0.3
53.03929	0.4
55.05519	1.8
56.02066	0.3
57.07082	4.5
67.05507	3.2
69.03426	0.4
69.07069	2.6
71.04991	0.3
71.08639	2.5
79.05504	2.3
81.07065	5.0
83.04990	0.3
83.08600	0.9
85.06548	2.4
89.67567	0.3
91.05489	1.8
93.07050	2.8
95.04971	0.6
95.08620	4.6
97.06544	0.9
97.10173	0.5
98.21566	0.5
99.08123	1.5
101.24049	0.3
105.07031	3.0
107.08606	3.3
109.06527	15.3
109.10172	1.8
111.08057	0.6
117.06949	0.3
118.37835	0.3
118.56691	0.3
119.08584	3.3
121.10141	2.5
122.07295	1.5
123.08076	22.2
123.11680	0.7
131.08595	1.1
133.10150	2.4
135.08060	2.8
135.11696	1.3
135.50259	0.3
137.09601	0.7
137.13275	0.4
142.07767	0.4
143.08571	0.5
145.10158	1.5
147.11713	1.1
149.02916	0.3
149.09631	0.5
149.13274	0.6
157.10115	1.1
159.11729	1.0
161.09673	0.4
161.13258	0.7
163.11249	0.3
165.12740	0.7
167.14334	0.7
171.10226	0.3
171.11653	0.4
173.13246	0.4
175.14903	0.5
177.16431	0.4
179.14322	100.0
180.14699	1.1
185.13312	0.3
187.14917	0.4
189.12881	0.3
193.15918	2.5
199.14902	0.4
293.21103	0.7
304.96521	0.3
331.26352	1.8
349.27411	96.5
350.27722	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.19308	0.5
67.05531	0.5
68.59443	0.5
69.07056	0.9
70.95896	1.1
79.00706	0.6
79.05486	0.9
81.07049	0.7
91.05446	1.1
93.07028	1.4
101.86046	0.6
105.07032	0.9
119.04976	0.6
130.17969	0.6
147.04417	4.4
151.78690	0.6
201.49448	0.6
229.15060	0.6
277.21527	0.7
333.20135	0.9
351.21445	100.0
352.21600	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2142
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
54.53847	0.3
55.05513	0.3
61.59033	0.2
67.05498	0.8
69.07069	0.4
70.43999	0.2
70.96935	0.4
70.97247	0.3
71.04986	0.2
71.08630	0.3
79.05497	0.7
79.64915	0.2
81.07064	1.0
83.08628	0.3
91.05469	0.6
93.07039	1.3
95.08622	0.7
99.08098	0.5
105.07037	0.9
107.08584	0.8
109.10174	0.3
117.07021	0.3
119.08572	0.7
121.10089	0.5
131.08475	0.3
133.10126	0.6
145.10161	0.3
147.04399	1.3
147.11691	0.4
149.13274	0.5
161.13246	0.3
173.13196	0.3
217.38707	0.2
227.39308	0.2
241.19522	0.5
259.20639	0.6
333.20010	0.4
351.21429	100.0
352.21701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2166
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
55.05511	3.5
67.05510	5.6
69.07084	1.9
69.51556	4.9
69.51961	2.1
71.08640	1.1
79.05508	6.8
81.03412	1.2
81.07063	8.3
91.05478	6.6
93.07042	9.3
95.04948	1.2
95.08612	10.2
97.06519	2.1
98.21538	1.2
99.35469	1.2
105.07030	9.9
107.08595	8.7
107.47650	1.2
109.06497	2.5
109.09476	1.1
109.10162	5.0
117.07014	1.2
118.14366	1.1
119.04972	2.9
119.08590	8.0
121.06519	1.9
121.10133	6.3
123.08133	2.0
123.11752	1.3
125.09621	1.9
131.08560	2.9
133.06516	1.9
133.10150	5.4
135.08029	2.0
135.11674	2.4
137.09601	3.2
139.11176	1.6
143.08536	2.3
145.10127	4.8
147.04425	12.6
147.08057	1.6
147.11670	4.7
149.09639	1.7
150.85344	1.1
151.07559	6.2
151.11230	1.2
155.08521	2.2
157.10107	3.0
159.11688	3.2
161.09599	2.0
161.13254	1.7
163.11139	1.8
165.09111	2.0
169.10159	3.1
171.11728	3.1
173.13225	1.6
175.11060	1.0
181.08505	1.5
181.10127	2.2
183.11658	3.1
185.13193	1.9
187.11218	1.2
195.11673	1.3
199.14792	3.2
201.12703	1.5
201.16473	1.0
209.13229	1.6
211.14737	2.2
213.16263	1.6
227.14278	1.9
227.17891	8.7
228.18666	1.4
239.17908	2.3
251.17947	1.6
257.19049	2.9
258.19727	1.9
269.19016	1.8
277.21524	1.3
287.20078	2.3
296.29196	1.2
303.19647	7.4
305.21063	2.0
315.19489	3.1
333.20493	5.3
351.21591	100.0
352.21582	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80238	1.2
53.03948	4.0
55.01880	8.2
55.05271	1.3
55.05515	15.6
57.03437	7.8
57.07067	4.2
57.51466	1.2
67.05511	42.5
69.03403	1.7
69.07069	13.6
69.17346	1.2
70.05096	3.4
70.05503	3.5
71.04994	3.8
71.08624	3.5
75.04479	1.8
79.05500	55.2
81.03436	1.5
81.07064	69.2
83.04978	5.4
83.08633	9.3
85.06549	3.3
88.24876	1.3
91.04910	2.0
91.05487	43.6
93.07052	64.9
94.56455	1.4
95.04959	4.1
95.08617	34.6
97.06531	4.6
97.10166	2.8
99.08088	5.3
105.07046	44.5
105.21830	1.4
107.04956	1.5
107.08611	43.5
109.06529	14.2
109.10181	13.5
111.04452	13.5
111.08079	2.0
113.06027	1.3
113.09671	1.9
117.07054	8.6
119.04991	8.5
119.08594	41.2
121.06477	2.0
121.10159	32.6
123.08027	2.8
123.11684	5.8
125.06013	4.1
125.09624	2.2
128.06210	1.6
129.07019	7.4
130.07687	1.2
131.08600	14.6
133.10152	35.0
135.08087	4.7
135.10703	2.3
135.11705	35.9
137.05989	100.0
137.09584	3.0
137.13264	1.9
142.07788	2.2
143.08574	8.4
145.10124	18.4
147.04427	29.7
147.07933	1.5
147.11697	38.4
149.09610	4.8
149.13269	18.6
151.07533	2.7
151.11189	3.9
157.10153	8.8
159.11685	14.1
161.09660	6.5
161.13274	26.5
163.11183	6.3
163.14818	5.5
165.09102	2.2
165.12808	1.9
171.11685	13.5
173.13278	10.4
175.11246	6.7
175.14819	13.8
177.12756	3.3
177.16447	1.9
179.10643	1.5
179.14265	1.5
185.13286	9.9
187.14795	3.6
189.12741	3.0
193.12274	2.5
199.14807	5.5
203.14330	2.3
203.17955	5.0
213.16364	6.7
217.19579	3.8
221.15363	1.8
221.18898	1.4
231.17488	14.0
231.21002	6.3
241.19548	25.4
249.18504	11.5
254.77600	1.7
259.20596	72.8
260.20911	1.7
273.84387	1.4
277.17990	55.1
277.21582	16.7
295.19107	6.7
310.65341	1.4
324.03671	1.4
333.24258	9.8
351.10870	2.4
351.21472	26.8
351.25299	66.1
352.25577	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01870	2.7
55.05521	18.5
57.03444	9.7
57.07063	3.9
67.05510	54.5
69.07082	15.6
70.69607	4.7
71.04987	2.6
75.04494	3.5
75.05023	1.7
79.05499	76.8
81.07060	62.8
81.07535	3.7
83.08620	9.5
85.06533	4.9
91.04905	2.3
91.05486	55.1
93.07049	97.2
95.04961	4.5
95.08616	38.1
95.48724	1.7
97.06515	1.7
97.10178	2.1
99.08085	3.9
101.06039	1.8
105.07035	63.6
107.08601	56.1
109.06579	2.7
109.10161	15.5
111.08051	3.8
117.07029	13.5
119.04935	2.5
119.08588	63.5
121.09338	2.7
121.10154	43.1
121.72444	1.6
123.08058	3.1
123.11695	4.7
125.09641	2.8
129.06981	7.6
130.07817	1.7
131.08585	22.4
133.10139	53.5
135.08029	2.9
135.10696	3.6
135.11694	46.5
137.05988	10.7
137.09659	2.2
143.08566	11.2
145.10133	24.2
147.04402	6.7
147.08051	2.6
147.11694	52.6
149.13268	29.5
151.11160	3.3
157.10127	10.1
159.11691	24.2
161.09619	3.6
161.13264	44.7
163.11153	2.7
163.14822	10.4
170.89693	2.1
171.11697	15.5
173.13261	12.7
175.11241	5.7
175.14845	24.0
177.12729	5.0
177.16327	2.9
179.14349	1.8
179.70863	1.9
185.13234	16.5
187.14854	4.2
189.12810	4.3
189.16454	2.7
191.14273	2.1
199.14803	9.7
203.14349	2.2
213.16356	4.7
215.18008	3.1
217.15833	1.9
217.19571	8.6
221.15353	2.3
231.17513	4.8
231.20982	9.5
241.19543	46.9
241.39807	1.7
249.18434	3.2
259.20578	100.0
275.89532	2.0
277.18103	5.5
277.21680	17.2
333.24228	12.3
351.25317	97.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.0
53.03939	2.3
55.01860	1.2
55.05508	9.4
57.03432	3.3
57.07068	2.7
59.05000	1.5
65.03954	1.0
67.05509	29.4
69.03425	1.3
69.07072	9.0
69.22453	7.4
69.22859	2.7
69.82961	1.1
71.04990	2.1
71.08635	3.4
79.05499	35.2
81.03436	1.1
81.07059	26.9
83.04980	1.6
83.08617	4.1
85.06546	2.5
91.05485	35.9
93.07048	46.6
95.04953	3.6
95.08606	21.5
97.06514	2.9
97.10143	1.4
99.08093	3.8
105.07037	35.9
107.08598	23.4
109.06521	1.4
109.10157	9.2
111.08119	1.4
113.09642	1.4
117.07030	8.6
119.04963	5.3
119.08589	36.1
121.10160	19.3
123.08073	2.5
123.11738	3.3
129.07010	4.8
131.08574	13.6
133.10136	30.7
135.08083	1.4
135.11703	21.7
137.06001	1.5
137.09613	1.7
143.08594	6.8
145.10117	13.8
147.04424	26.1
147.08075	1.4
147.11697	30.9
149.09596	2.2
149.13268	12.5
151.11177	2.5
155.08463	1.4
157.10144	7.6
159.11694	13.2
161.09697	1.4
161.13269	25.4
163.11186	2.9
163.14848	3.3
171.11685	9.6
173.13277	7.6
175.11209	1.9
175.14838	12.8
177.12752	2.5
185.13284	9.1
187.14752	1.4
189.12708	2.5
191.14270	1.1
199.14862	3.7
203.14378	2.1
213.16422	1.9
215.17996	1.9
217.19594	3.6
231.17464	2.5
231.21056	6.3
241.19547	23.6
241.21884	0.9
259.20584	68.2
260.21030	1.4
277.21616	6.3
333.24194	2.7
351.21393	100.0
351.25345	58.5
352.21558	2.1
352.25452	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
54.76979	1.9
55.05518	13.3
57.03434	5.6
57.07076	3.0
67.05511	36.1
69.07070	10.8
70.13298	6.5
70.13703	3.7
70.28152	1.9
71.04969	2.9
71.08617	2.3
74.52854	1.7
79.05498	58.9
81.06591	3.2
81.07056	45.5
83.04975	2.5
83.08605	6.8
85.06534	2.8
91.05486	54.0
93.07049	73.8
93.07642	4.0
95.04958	3.6
95.08610	27.2
97.06535	4.7
97.10171	2.1
99.08083	6.7
105.07037	66.8
107.08594	37.8
109.06521	3.0
109.10145	14.2
109.77464	2.2
117.07021	12.8
119.08588	52.0
121.10139	33.9
123.08037	2.5
123.11658	2.8
129.07021	10.3
131.08566	26.0
133.10132	44.7
135.11696	33.1
137.33594	2.4
143.08563	10.9
145.10115	18.8
147.04402	4.7
147.11696	45.0
149.09654	3.3
149.13269	17.6
151.11124	2.7
157.10143	8.1
159.11685	15.8
161.13274	38.6
163.11163	3.6
163.14850	7.2
165.12762	2.3
171.11687	15.4
173.13287	8.3
175.11330	2.2
175.14833	15.4
177.12811	3.8
179.14407	3.3
185.11865	1.9
185.13237	14.4
187.14813	2.4
199.14839	6.4
212.20250	2.1
213.16405	4.5
217.15933	2.4
217.19521	4.6
231.17528	3.6
231.21034	9.3
241.19524	36.1
259.20578	100.0
265.55444	2.0
277.21710	5.6
281.88922	2.1
351.25308	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69342	2.1
53.03934	2.4
54.69921	2.1
55.05516	13.6
57.03429	9.0
57.07051	3.5
57.34654	2.4
67.05513	38.9
69.07067	11.9
70.76306	5.3
70.86013	2.1
71.04993	3.4
71.76748	2.1
77.03967	2.3
79.05499	58.1
81.07065	50.8
83.08619	7.0
85.06541	2.4
91.05485	43.9
93.06488	4.6
93.07054	77.8
95.04987	3.4
95.08614	31.6
97.06534	3.0
97.10172	4.0
99.08094	5.9
105.07042	48.8
107.08604	41.2
109.10165	11.2
113.09683	3.0
113.62990	2.2
117.07013	10.3
119.08589	43.5
121.06513	2.3
121.10156	36.0
121.79389	2.5
123.11736	3.8
129.06999	7.5
131.08559	16.8
133.10139	38.2
135.11707	37.2
143.08589	8.1
145.10141	15.7
147.04407	3.5
147.11693	38.4
149.13261	24.6
157.10101	9.1
159.11740	14.2
161.13257	34.9
163.11247	3.8
163.14871	9.0
171.11711	14.1
173.13271	9.6
175.14896	17.8
177.12724	4.9
179.14328	2.9
185.13223	14.2
187.14793	3.5
199.14873	6.2
203.14352	2.5
213.16496	6.3
217.19537	4.7
231.17413	2.8
231.21132	7.9
241.19525	41.5
259.20612	100.0
260.21094	2.9
277.21591	17.9
315.56009	2.4
332.04822	2.1
333.24261	10.5
351.25320	89.8
359.59607	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36670	1.9
53.03938	5.0
55.05513	17.0
57.03428	7.9
57.07053	3.1
60.10833	1.9
67.05508	47.3
69.07079	16.8
70.97212	4.7
71.05000	4.4
79.05499	69.8
81.07064	60.9
83.04975	3.2
83.08617	8.2
84.01173	2.0
85.06561	2.8
91.05488	48.2
93.07051	100.0
93.07642	5.0
94.53422	1.7
94.79033	1.8
95.04972	6.5
95.08616	41.6
97.06503	4.3
99.08099	3.3
105.04531	3.3
105.07039	57.4
107.08600	57.4
109.10160	16.5
111.04399	2.0
113.09708	2.1
117.07043	15.6
119.08592	51.0
121.10148	37.9
123.11726	4.3
129.07039	6.2
131.08574	18.0
133.10132	51.2
135.08035	3.7
135.11694	52.3
137.05962	5.2
137.09512	2.1
143.08545	9.5
145.10146	26.2
147.11703	46.0
149.09666	4.7
149.12212	2.4
149.13287	26.0
157.10138	8.7
159.11668	16.8
161.13274	36.2
163.11209	3.8
163.14803	9.9
171.11655	10.5
173.13335	9.6
175.11238	2.9
175.14844	10.7
177.12744	3.3
179.14395	2.9
179.16148	2.1
185.13336	11.5
187.14853	2.8
199.14882	6.2
215.18025	2.7
217.15877	2.4
217.19684	3.3
231.17453	3.4
231.21169	5.6
241.19543	36.6
259.20581	95.2
260.21185	2.6
277.18573	3.9
277.21686	18.2
333.24319	14.1
351.25348	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
55.05509	19.8
57.03427	7.0
57.07084	2.7
66.08252	2.0
67.05506	44.6
69.07069	20.4
69.29998	9.4
69.30422	12.4
71.04996	4.1
71.56529	2.4
75.04501	3.0
79.05067	4.6
79.05494	58.7
81.07059	54.5
83.08610	10.9
91.05482	52.3
93.07046	100.0
95.04984	5.2
95.08612	37.5
97.06543	3.6
99.08065	3.4
105.07034	60.2
107.08598	55.2
109.06505	4.0
109.10139	13.0
111.08154	3.1
111.97728	2.4
113.05966	4.1
113.09678	3.0
117.07040	10.5
119.07748	2.0
119.08578	55.0
121.06469	3.2
121.10146	42.3
121.57951	3.3
123.08036	4.7
123.11681	6.2
129.07014	8.1
131.08563	20.4
133.10143	51.2
135.08063	4.1
135.11694	45.5
137.09528	2.5
143.08540	9.4
145.01419	2.4
145.10107	18.4
147.11685	43.5
149.09689	4.1
149.13280	30.6
157.10150	9.6
159.11693	19.4
161.13264	41.0
163.11154	3.8
163.14842	8.2
171.11664	12.0
173.13268	11.2
175.11147	2.6
175.14796	14.3
177.12617	3.8
179.14325	4.0
185.13205	13.3
187.14813	3.3
189.12724	2.9
199.14822	7.4
203.14362	2.6
213.16336	6.5
217.15962	4.5
217.19514	3.7
231.17599	4.5
231.21082	8.0
241.19489	39.4
259.20587	98.7
277.21597	15.6
289.66348	2.7
309.26208	6.5
316.79803	2.6
333.24323	11.1
351.25104	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.4
55.01873	9.5
55.05279	1.6
55.05517	24.2
57.03436	16.9
57.07075	4.4
57.33356	1.8
65.03941	1.9
67.05508	61.4
69.07071	40.3
69.69068	1.5
70.17165	5.5
70.17522	2.5
71.04984	3.4
71.08247	2.2
71.08636	29.6
77.03909	1.9
79.05016	1.8
79.05495	56.4
81.03411	5.4
81.07060	79.3
83.04995	9.9
83.08621	20.7
85.06549	3.6
91.05482	49.8
93.07047	70.3
95.04995	10.6
95.08612	46.5
97.06535	14.2
97.10172	4.2
98.20821	2.5
99.08099	21.4
105.04526	2.0
105.07032	38.7
105.07698	3.4
107.04951	5.8
107.08602	43.4
109.06509	7.7
109.10170	18.8
111.04456	4.7
111.08088	6.1
111.83443	1.4
113.09627	2.2
117.07011	8.5
119.07724	2.1
119.08581	35.3
121.06505	1.7
121.10141	35.0
123.08072	3.6
123.11718	5.4
125.09649	4.8
129.06992	4.3
131.08569	13.2
133.10146	32.4
135.08012	1.6
135.11696	34.1
137.05983	24.9
137.09618	5.0
137.13210	2.6
139.11200	1.8
141.09077	1.7
143.08583	5.2
145.10138	13.4
147.04451	2.2
147.08017	2.6
147.11690	32.5
149.09612	3.1
149.13283	17.3
151.11159	14.6
153.09068	1.9
154.12274	4.8
157.10114	8.2
159.11673	11.4
161.09612	4.2
161.13257	22.5
163.11226	7.6
163.14835	6.9
165.12778	6.6
171.11743	7.9
172.13342	1.9
173.13268	5.9
175.14857	7.5
177.12825	3.7
179.14310	44.2
181.15919	2.0
185.13287	7.3
187.14757	1.7
189.12743	4.1
196.13455	1.7
199.14815	5.1
207.13863	2.8
213.16350	1.8
221.15338	2.5
231.17485	4.2
231.21080	6.8
235.17096	3.5
241.19530	16.6
249.18436	3.7
249.22244	3.2
259.20581	41.1
260.21069	1.9
273.49289	1.5
277.18063	14.4
277.21652	48.4
333.24261	5.4
348.73984	1.7
351.18207	3.2
351.21844	5.9
351.25327	100.0
352.25192	4.4
366.37689	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.05515	16.5
57.03440	9.2
57.07082	3.9
63.06242	1.7
67.05189	2.8
67.05508	37.3
69.07077	13.7
70.06300	8.0
77.82289	1.8
79.05495	73.2
81.07060	45.4
83.08614	6.2
85.06540	4.3
86.29461	1.9
91.04908	2.7
91.05481	53.9
93.07044	90.5
95.04941	4.6
95.08617	36.6
97.06535	2.7
97.10166	2.2
98.21431	2.5
99.08097	3.4
105.04498	2.3
105.07037	53.9
107.08600	54.9
109.10152	15.0
113.09646	2.3
117.07000	9.7
119.08582	45.4
121.09327	3.5
121.10152	46.5
123.11642	2.8
128.06239	2.4
129.06996	5.0
131.08574	20.7
133.10149	44.8
135.10706	3.3
135.11696	52.4
143.08580	9.1
145.10112	21.4
147.11693	47.1
149.09680	3.5
149.13272	28.0
151.11171	2.3
157.10124	8.3
159.11707	17.8
161.13260	39.1
163.11186	2.2
163.14856	6.3
171.11693	14.5
173.13239	13.2
175.14807	17.7
177.12793	5.1
185.13229	11.8
187.14903	3.0
189.12761	3.4
199.14865	8.5
205.63672	1.8
213.16418	7.1
215.17996	3.3
217.19521	2.4
231.17303	2.2
231.20923	10.2
241.19530	37.6
259.20584	100.0
277.21649	18.3
285.45444	2.0
333.24341	14.4
351.25308	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
54.99424	1.5
55.05510	11.0
57.03424	3.6
57.07092	3.7
58.69577	1.5
67.05177	2.7
67.05508	34.5
69.07084	7.8
69.62302	1.6
70.77372	3.4
71.04978	1.7
79.05497	47.2
81.07058	41.1
83.08618	4.9
85.06570	2.1
91.05487	50.5
93.07050	72.4
93.07643	3.5
95.04965	4.0
95.08064	1.4
95.08609	29.4
97.06544	2.1
97.10203	2.1
99.08096	3.8
105.07036	59.3
107.08601	39.1
109.10161	10.6
111.08095	2.9
113.09641	1.8
117.07015	11.0
119.08586	49.0
121.10148	27.4
123.11711	2.0
129.07011	8.2
131.08569	20.6
133.09122	2.5
133.10139	41.8
133.63431	1.8
135.08084	2.4
135.11696	34.7
143.08580	10.5
145.10126	17.4
147.11693	43.7
149.09618	3.6
149.13249	17.6
157.10136	9.0
159.11726	16.8
161.13264	33.3
163.11139	3.6
163.14812	5.4
171.11679	11.4
173.13266	9.4
175.14815	13.6
184.68367	1.8
185.13229	11.5
187.14853	2.1
189.12862	1.6
199.14835	7.4
203.14314	1.8
213.16417	3.3
231.17520	2.3
231.21104	8.1
241.19524	24.8
259.20593	100.0
260.20901	2.4
333.24448	3.3
351.25330	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79134	2.6
53.03936	5.6
55.01851	2.9
55.05515	16.2
55.79351	2.8
57.03433	12.1
57.07084	6.7
58.04968	2.9
62.43699	2.4
63.30727	2.4
67.05177	4.3
67.05511	47.3
69.07079	16.1
70.09805	8.6
71.04990	5.4
79.05502	66.6
81.07065	51.4
83.05003	3.2
83.08629	10.8
85.06521	3.9
91.05479	50.4
93.07050	93.2
95.04983	3.3
95.08611	39.1
97.06540	5.7
97.10199	3.1
99.08100	9.1
105.07037	49.4
107.08601	56.7
109.06530	4.5
109.10181	17.1
111.84221	2.8
117.07035	12.1
119.04931	4.8
119.08582	45.8
121.10152	48.1
125.09663	4.2
128.85492	2.9
129.07040	8.4
131.08553	24.5
133.10153	43.6
135.08139	3.5
135.11694	41.9
139.11221	3.5
143.08577	11.0
145.10126	23.0
147.04416	23.0
147.08107	2.7
147.11699	47.7
149.13263	23.9
151.11224	3.2
157.10179	4.9
159.11723	17.0
161.09673	2.7
161.13271	41.1
163.11171	5.3
163.14828	9.7
171.11685	12.2
173.13293	12.0
175.14862	17.9
179.14268	3.4
185.13336	9.8
187.14769	4.5
199.14944	8.6
213.16423	5.9
217.19531	2.9
231.21156	10.6
241.19534	40.4
259.20602	100.0
268.75076	3.0
277.21634	18.4
279.21744	3.0
284.30350	3.1
333.24557	6.9
351.25375	94.0
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
51.24611	2.2
53.03925	4.2
55.05511	17.0
57.03426	7.8
57.07069	3.6
67.05184	3.2
67.05510	42.6
69.07072	18.4
70.49366	4.8
70.49735	4.3
71.04997	2.8
71.08636	2.3
75.04457	2.4
79.05073	3.7
79.05497	55.4
81.07056	56.3
83.04999	2.8
83.08607	9.4
85.06539	5.2
91.05489	49.3
93.07049	93.6
93.07632	4.7
95.04947	3.7
95.08611	37.8
97.06564	2.7
97.10170	4.4
99.08056	4.1
105.07034	43.9
107.07880	3.3
107.08596	49.8
109.10161	17.1
113.05988	2.9
116.49871	2.2
117.06989	12.8
119.08586	50.7
121.06421	2.2
121.09325	4.4
121.10141	41.0
123.11675	6.5
125.09660	2.4
129.06999	6.6
131.08560	17.7
133.10150	45.9
135.08070	3.8
135.11703	42.6
143.08603	11.1
145.10138	22.5
147.11700	43.9
149.09610	3.4
149.13229	26.1
151.11139	2.9
157.10120	8.9
159.11720	19.5
161.09601	3.6
161.13271	35.2
163.14786	6.8
171.11707	14.2
173.13251	11.6
175.14838	11.5
177.12802	4.4
177.16431	2.7
185.13295	13.8
187.14819	3.5
189.12689	2.9
199.14812	8.8
213.16280	4.3
231.21089	12.0
241.19530	36.7
259.20593	100.0
277.21573	13.1
333.24234	7.2
351.25180	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
53.22137	0.7
55.01864	2.7
55.05275	1.1
55.05516	15.2
56.03664	0.8
57.03442	14.1
57.07076	3.8
59.19742	0.8
64.86192	0.6
65.03923	2.2
67.05505	43.7
68.95761	0.9
69.03413	0.9
69.06734	1.1
69.07073	14.3
69.49193	1.7
69.49602	4.2
71.04996	2.5
71.08635	50.0
72.64011	0.8
76.41723	0.8
79.05493	37.6
81.03424	6.6
81.07059	46.0
83.04986	10.0
83.08615	9.0
85.06541	3.2
91.05484	26.6
93.07050	51.9
95.04448	1.0
95.04982	9.5
95.08609	33.5
97.06544	8.1
97.10170	4.9
98.20769	1.8
99.08102	32.1
99.08762	1.6
105.07039	18.6
107.04963	6.9
107.08601	26.1
109.06512	3.1
109.10163	13.7
111.08093	1.5
113.09647	3.2
117.07028	4.8
119.08582	14.1
121.06509	1.3
121.10149	22.7
121.56544	0.8
123.08067	1.6
123.11735	1.4
125.09661	1.3
127.11176	2.2
129.07005	2.3
131.08577	6.0
133.10146	12.7
135.08116	0.8
135.11696	31.5
135.12729	1.6
137.09628	4.0
137.13255	0.9
139.11198	1.5
141.09119	3.8
143.08556	3.1
145.10139	4.8
147.11705	6.4
149.09573	1.1
149.13275	11.3
151.11188	19.0
153.12761	1.8
157.10188	1.8
159.11707	3.7
161.13268	12.5
163.11174	6.5
163.14822	2.2
163.22542	0.9
165.12695	1.7
167.10695	2.3
171.11703	2.7
172.26292	0.8
173.13263	1.2
175.11093	1.0
175.14850	2.9
177.12779	3.3
179.14317	100.0
180.14647	1.6
180.85362	0.7
181.12238	0.9
183.18237	0.7
185.13190	1.2
189.12714	2.6
195.13829	1.9
199.14746	1.3
207.13802	1.4
221.15370	3.6
235.16968	5.6
241.19417	1.6
259.20529	5.3
277.21634	44.8
351.25302	52.5
352.25360	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64730	0.9
53.03945	2.3
55.01866	2.3
55.05270	1.4
55.05511	17.8
57.03440	13.9
57.07069	2.4
58.45303	1.0
59.04996	1.6
59.45198	1.0
65.03934	2.1
67.05508	43.3
69.03424	1.5
69.07072	12.5
70.77391	1.2
70.77722	2.3
71.04987	3.1
71.08637	52.5
79.05499	41.2
79.05965	1.6
81.03424	7.1
81.07062	46.7
83.04989	11.0
83.08618	10.4
85.06539	2.8
91.05484	27.4
93.07049	51.4
93.82556	1.1
95.04976	9.7
95.08616	31.0
97.06535	8.2
97.10162	3.2
99.08102	32.2
105.07040	17.7
107.04974	7.0
107.08605	28.0
109.06528	2.8
109.10152	13.3
111.08067	1.9
113.09624	3.0
115.76532	1.1
117.07037	4.3
119.08585	14.9
121.06513	1.5
121.09328	2.0
121.10152	26.0
123.08100	2.0
123.11716	1.7
127.11183	2.6
129.06966	2.1
131.08563	4.6
133.10143	12.6
135.11697	31.7
137.09616	3.6
139.11113	1.4
141.09096	4.0
143.08556	2.8
145.10106	4.5
147.11705	6.4
149.09659	1.3
149.13264	9.1
151.09979	1.7
151.11186	19.3
153.12715	1.9
157.10094	2.0
159.11705	3.9
161.13278	11.6
163.11160	7.2
163.14774	1.2
165.12724	1.3
167.10609	2.0
171.11754	1.4
173.13297	1.1
175.14803	2.1
177.12704	2.4
179.14319	100.0
185.13243	2.6
189.12708	2.4
195.13783	2.0
207.13779	1.3
217.19580	1.0
221.15421	4.7
235.16939	4.9
259.20517	4.2
277.21640	44.9
308.32593	1.1
351.25275	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	351.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
53.83481	3.0
55.05519	26.5
57.03442	3.0
57.07081	8.5
65.03938	4.5
67.05511	41.1
69.03446	5.4
69.07069	57.1
71.04992	10.6
71.29510	6.1
79.05497	34.0
81.07063	66.8
83.08631	18.2
87.63452	3.4
91.05486	42.9
93.07052	66.8
95.04974	23.2
95.08616	62.4
97.06536	23.2
102.30156	3.7
105.07043	95.3
106.17256	3.3
107.08610	67.6
109.06512	8.6
109.10161	48.6
111.08094	6.6
113.06921	2.8
115.05446	4.7
117.07029	13.9
119.08590	100.0
121.06511	10.5
121.10152	54.4
123.08064	8.7
123.11701	18.6
128.06241	8.4
129.07001	10.4
130.07765	6.3
131.08580	43.3
133.10146	57.5
135.08052	14.8
135.11694	16.8
137.09595	4.9
137.13260	9.0
142.07796	15.4
143.08578	28.4
144.09344	7.5
145.10126	48.6
146.07248	7.2
147.08049	5.9
147.11687	30.2
149.09663	18.9
149.13274	6.6
155.08574	3.8
156.09367	10.5
157.10144	43.7
158.10928	4.0
159.08092	4.6
159.11688	26.8
161.09610	51.6
161.13283	17.5
169.10136	7.1
170.10780	3.6
171.11719	31.3
173.09813	5.0
173.13277	15.0
175.11227	7.3
175.14870	15.9
177.16440	19.5
179.08569	7.6
180.14700	3.7
182.10953	3.7
183.11673	9.2
185.13283	20.9
187.14877	7.0
189.12708	5.2
189.16405	11.1
193.99834	3.6
194.11038	5.3
195.11729	7.5
197.13263	10.5
199.11235	4.8
199.14819	11.2
201.12723	3.9
201.16464	7.5
203.17960	7.7
207.11629	4.2
209.13324	17.7
211.14803	7.6
213.12999	3.6
215.18037	4.6
219.73604	3.3
227.14302	5.9
227.17961	3.9
237.16527	4.5
241.19458	8.5
255.21141	10.5
267.21005	6.2
277.19357	3.6
333.25900	6.6
351.27301	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85671	3.1
53.03942	7.4
55.01868	6.8
57.03435	6.0
59.93034	3.1
61.02911	6.1
61.05480	3.2
64.59969	3.1
67.05504	4.5
69.03429	33.5
69.06729	5.3
69.07071	66.1
69.32093	25.4
71.04991	4.7
73.02898	7.7
75.59616	3.2
81.03424	29.4
81.07046	7.2
83.04965	3.6
85.02911	100.0
85.06539	3.5
86.09715	3.9
87.00390	4.0
87.00839	43.8
93.07058	5.9
97.02895	60.3
99.04449	13.6
99.87252	3.0
103.54380	3.0
105.01197	6.4
105.01869	89.0
105.04865	3.3
105.07069	3.6
108.04517	4.1
109.01688	3.0
109.02876	28.8
110.06046	4.6
111.08075	9.5
115.03947	4.1
119.08569	3.9
120.93438	3.0
122.06026	3.4
123.06331	4.7
124.03942	14.1
124.54642	3.2
127.03926	86.1
129.01849	3.2
131.08542	3.8
135.08194	3.7
138.05507	16.9
139.05826	11.4
145.04962	68.6
152.07019	15.2
153.07368	9.6
153.09120	8.6
159.02870	14.5
177.09077	8.6
180.06567	38.3
181.06944	38.9
189.03943	8.0
195.10191	15.2
198.07603	37.0
199.07974	39.3
212.42258	3.4
215.09029	4.4
217.04930	3.4
231.04984	35.7
242.09932	3.5
249.06049	23.3
299.11188	3.5
349.41898	3.4
352.17624	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01870	3.2
55.05513	23.4
55.80235	1.1
57.03442	3.3
67.05511	8.4
69.03426	5.1
69.07071	8.8
69.86335	2.6
69.86747	3.5
70.06578	1.3
70.85332	1.1
71.04977	3.3
76.62193	1.2
78.08824	1.2
79.05501	5.9
80.05029	4.4
81.03421	5.3
81.07073	8.6
83.01356	1.7
83.04993	5.6
83.08624	39.3
85.02917	4.2
87.04481	1.7
89.02401	19.4
91.05493	5.2
93.07047	10.9
94.06576	13.7
95.04962	4.4
95.08622	10.0
97.02879	2.8
97.06536	3.6
99.04456	2.2
103.03961	4.5
105.07037	5.0
107.08588	3.4
108.08133	1.3
109.02908	4.1
109.10155	1.6
111.08085	51.7
113.09657	2.3
117.77040	1.1
119.08572	3.7
121.04967	4.6
121.10144	1.4
123.08063	20.8
125.05970	2.8
125.09624	1.9
127.03928	3.9
127.07545	4.5
128.76189	1.3
128.77153	1.5
130.13306	1.1
131.08583	2.0
133.10132	2.3
137.09731	1.7
141.09109	100.0
147.04410	2.0
149.04459	66.1
149.09613	1.7
163.11244	1.6
169.08693	1.5
183.36768	1.2
219.13817	3.5
222.14896	3.0
224.16476	1.3
275.20126	1.8
292.22717	20.8
317.12421	4.4
352.21188	1.9
352.24997	4.8
352.29102	1.6
353.15686	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	352.1615
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
53.03965	0.4
55.05514	0.5
56.05056	0.3
57.03440	1.0
57.07067	1.3
60.04515	0.6
67.05501	1.5
69.03431	1.7
69.07075	3.3
70.06597	0.5
71.51669	0.3
72.08157	2.0
73.02908	0.9
78.22926	0.4
78.41327	0.4
81.03416	1.1
81.07075	0.9
85.02906	4.2
85.06546	1.0
86.09704	0.7
87.00829	1.8
87.59222	0.4
91.05473	0.9
95.04962	0.6
95.08571	0.7
97.02907	2.4
97.06553	0.7
98.06059	0.4
98.97605	0.7
99.04452	0.7
100.46745	0.4
105.01868	3.9
109.02864	0.7
109.10147	0.6
118.08653	0.4
119.03549	0.5
119.04939	0.4
120.01142	0.5
120.08117	0.9
127.03918	2.5
135.06615	0.5
136.06190	87.3
137.06625	0.5
145.04968	2.5
147.04434	0.6
148.04948	0.4
148.06152	2.8
155.10666	0.7
159.06664	0.7
159.10150	1.4
166.08635	0.7
185.08209	4.5
193.09738	0.6
202.10878	8.9
220.11938	100.0
221.12234	0.7
231.05019	1.4
245.68637	0.5
249.06117	0.9
260.13620	0.6
302.22665	0.4
352.16211	12.1
370.96149	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.5
55.05509	13.9
56.96553	4.5
57.03416	9.6
67.05510	20.2
69.03418	6.8
69.07060	8.3
70.06565	4.5
71.04979	7.5
71.52305	4.7
79.05499	24.1
81.03419	99.5
81.07058	45.1
83.04974	13.6
83.08617	27.0
84.08117	3.5
85.02895	5.5
85.06523	5.8
86.09718	3.9
87.04436	3.8
88.20090	4.1
91.05495	24.6
93.07067	19.7
95.04980	31.3
95.08602	16.1
97.02904	7.1
97.06554	6.2
97.10136	5.0
99.04407	4.6
105.07039	20.2
106.07410	4.4
107.04945	9.8
107.08598	21.4
109.02853	12.7
109.06495	9.8
109.10142	7.8
110.10566	3.8
110.11384	3.8
111.04411	6.3
111.08085	14.0
119.08606	20.6
121.06493	9.1
121.10129	12.1
123.08044	6.0
125.09621	6.1
127.03933	9.9
127.07552	15.0
129.07024	6.9
131.08571	13.2
133.06465	4.8
133.10139	11.0
135.08046	6.0
137.09616	7.5
139.11232	3.8
145.10083	8.0
147.04448	6.3
147.08009	7.2
147.11655	6.5
149.09615	12.3
157.10141	18.0
158.10463	3.6
159.02876	7.6
163.11220	11.4
167.07182	4.8
175.11171	13.5
191.10684	6.8
193.12256	100.0
211.13322	9.8
227.09108	9.6
245.10143	6.5
267.15927	67.6
285.09665	6.1
285.16971	74.3
320.18634	4.2
334.16565	5.9
334.20480	4.3
352.21252	28.7
353.15793	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	352.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.8
54.18743	3.2
55.05507	5.3
57.03448	3.8
63.55976	3.1
65.53924	2.8
67.05509	10.3
68.09611	3.2
70.95698	5.7
70.96035	4.4
79.05490	10.1
81.03426	96.7
81.07059	12.4
83.04971	4.8
83.08637	20.9
85.92198	2.6
91.05485	18.4
93.07045	8.9
95.04981	26.3
95.08585	3.5
105.07046	10.8
107.04960	5.1
107.08575	5.0
109.10174	6.4
111.08099	11.2
115.05535	3.6
119.08583	8.7
121.10158	7.2
129.07005	9.7
131.08559	11.1
133.10124	10.1
137.09563	4.2
146.60716	3.0
147.11671	4.9
149.09654	5.6
151.11221	4.9
157.10123	6.6
163.11182	5.0
175.11218	14.3
190.22258	3.2
193.12247	100.0
211.13402	7.1
215.13000	3.2
215.15541	3.2
219.75891	2.8
227.81355	2.9
245.03818	3.1
267.15915	50.3
285.16995	85.3
285.20233	4.2
287.96979	3.5
317.15863	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	352.248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76058	2.7
52.81112	2.5
55.05501	9.7
56.05033	3.5
57.07059	2.7
60.04517	9.4
65.03926	2.8
67.05511	25.0
69.07079	20.6
71.04966	2.8
71.08630	4.2
71.52172	2.5
79.05492	16.4
80.05021	12.5
81.03405	3.0
81.07066	22.6
82.07397	3.8
83.04959	3.5
83.08610	6.8
84.08134	7.8
91.05489	17.3
93.07077	17.6
94.06575	9.9
95.04967	8.5
95.08611	17.7
96.08150	3.3
97.06532	4.9
105.07050	19.3
107.08587	15.8
108.08159	6.4
108.70875	2.9
109.06541	2.7
109.10153	10.4
111.08041	3.6
117.07031	3.6
119.08605	15.6
120.05323	2.9
120.08123	3.5
121.10137	8.4
125.09657	3.2
131.08588	5.4
133.10156	12.3
135.11682	3.9
136.12012	2.9
145.10156	7.9
147.04405	6.6
147.11705	9.4
161.13266	5.3
163.14799	2.6
184.06371	5.4
204.13864	12.0
210.14990	3.3
222.14915	17.5
224.16350	2.9
257.19061	9.0
260.20886	2.9
272.20074	3.0
274.21655	12.8
275.20050	23.4
278.22055	4.1
292.22742	56.8
293.21249	4.4
316.22571	5.0
334.23932	14.5
350.17163	3.5
352.25089	100.0
358.90887	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	352.2847
Annotation	Melophlin R
Peak:m/z	Relative Intensity
55.05505	13.2
55.69029	2.5
56.05026	2.9
56.24449	3.0
57.07055	5.5
57.74336	2.7
58.02954	6.2
58.06598	6.0
65.39872	3.3
67.05514	43.4
69.07083	20.9
69.18250	27.4
70.06599	48.9
71.08630	6.6
72.08916	2.9
79.05486	20.0
81.07062	34.5
82.06571	11.5
83.08611	10.3
84.04549	3.5
91.05472	6.9
93.07045	23.7
94.06571	9.0
95.08610	27.7
96.08135	14.7
97.10158	2.9
105.07006	7.0
107.08595	10.9
108.08173	3.0
109.10158	19.4
114.12784	4.3
119.08554	4.7
121.10143	6.4
123.11719	4.8
126.12809	32.3
130.32338	2.6
131.08536	3.1
133.10094	4.0
135.11716	7.3
138.12845	3.2
145.10115	5.2
154.12277	11.8
156.13829	3.1
166.15916	34.8
173.13083	2.8
180.13869	7.1
180.54007	2.9
200.16399	3.3
212.16472	31.0
220.17064	7.2
227.25824	3.5
240.16000	7.2
245.47871	3.3
252.19601	35.6
334.27649	4.0
335.25900	3.1
335.29553	11.8
352.28461	100.0
352.35474	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	352.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17041	0.7
53.03937	1.1
55.01866	1.2
55.05513	6.8
57.03420	2.3
57.07067	1.5
58.06597	1.6
60.04520	3.0
67.05508	13.1
68.05811	1.1
69.03416	1.4
69.07070	8.6
69.76752	0.8
71.04981	0.9
71.08631	3.4
71.25129	1.6
79.05500	10.0
80.05019	5.5
81.03414	1.4
81.07059	14.6
82.06585	1.1
82.07386	1.0
83.04995	1.5
83.08620	3.4
85.06554	1.7
89.34058	0.7
91.05491	7.3
91.94419	0.7
92.05821	1.0
93.07053	12.3
94.06558	3.1
95.04962	2.2
95.07318	0.9
95.08617	12.3
96.08952	1.0
97.06541	2.7
97.10183	2.4
98.09708	1.5
99.08100	1.5
102.04624	0.8
105.06404	1.1
105.07046	10.0
106.07394	0.9
107.08607	11.2
108.08115	1.9
108.08797	0.8
108.21111	0.9
109.06530	1.7
109.10166	9.7
111.08039	1.2
117.07018	1.8
119.08603	8.7
120.08134	1.1
121.06520	2.6
121.10175	6.0
123.08052	1.3
123.11720	5.6
125.09660	1.5
131.08548	3.1
133.10165	6.4
135.08067	1.4
135.11667	3.8
136.12079	1.2
137.09641	1.2
139.11125	1.0
141.09135	1.6
143.08553	1.9
145.10106	5.7
147.04376	1.2
147.08060	1.6
147.11699	5.4
149.09656	1.3
149.13240	2.6
151.11153	1.3
152.11536	1.2
154.12303	4.9
155.08519	1.3
157.10117	2.8
159.08109	1.2
159.11697	4.5
161.09651	1.2
161.13268	3.5
163.11194	1.9
163.14807	1.6
169.10118	1.1
171.11690	3.4
172.13333	2.4
173.09665	1.1
173.13281	2.3
175.14828	3.4
177.12759	4.0
179.14339	2.0
183.11673	0.9
185.13266	2.8
187.11263	1.4
187.14902	1.1
189.12794	2.0
196.13376	1.2
197.13284	2.8
199.14796	1.8
200.59993	0.8
201.12573	0.8
201.16443	0.8
203.14339	5.4
204.13789	4.4
211.14842	1.6
215.14391	4.5
215.17853	0.8
217.15990	1.4
222.14928	7.3
225.16254	1.2
227.17992	2.8
229.15916	1.5
239.17995	1.1
241.19655	1.3
243.17503	1.6
245.19109	1.6
257.19016	3.1
259.20547	3.4
260.20981	1.3
267.21082	2.5
273.22107	5.3
274.21686	5.0
275.20081	9.4
278.21906	3.5
285.22223	9.2
292.22751	17.4
303.23199	22.4
316.22842	1.0
321.24255	100.0
322.24463	1.7
332.22827	6.2
334.23785	4.1
352.25037	26.4
352.73917	2.0
353.26151	0.9
361.22223	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.7
53.03946	12.2
55.01879	6.4
55.05515	10.7
57.03423	2.9
59.57874	1.4
65.03951	1.9
67.05504	18.0
69.03082	2.0
69.03427	20.1
69.07067	15.3
69.34768	8.4
69.35186	2.0
71.05002	12.3
79.05067	1.9
79.05499	20.8
80.91365	1.1
81.03419	76.5
81.07056	46.3
81.07534	2.5
83.04987	11.1
83.08649	2.1
85.02905	3.1
85.06531	4.3
90.06996	1.2
91.05482	13.5
93.07045	49.0
95.04958	9.1
95.08614	18.4
97.02899	10.3
97.06517	6.1
99.04456	16.5
105.07035	30.7
107.04946	4.5
107.08595	46.0
109.02882	63.4
109.06522	10.9
109.10155	15.9
110.03677	6.3
111.04444	10.6
111.08070	7.7
113.05995	2.4
113.32380	1.4
117.07008	5.3
117.52451	1.2
118.63423	1.2
119.04961	1.4
119.08598	14.3
120.08100	1.8
121.06493	17.3
121.10147	38.9
123.04443	2.9
123.08106	6.0
123.11749	2.8
125.02367	10.2
125.05988	4.5
125.09623	4.3
126.03057	1.5
127.03925	32.2
127.07558	3.0
128.43573	1.3
130.07773	2.1
131.08543	5.8
133.06514	2.2
133.10150	7.8
135.04366	1.9
135.08058	13.7
135.11685	11.5
136.06181	29.1
137.05978	2.6
137.09628	8.2
139.07535	2.9
139.11177	4.7
143.08592	2.1
145.06458	2.5
145.10139	26.0
147.08066	5.1
147.11676	7.4
149.05974	3.9
149.09610	15.2
151.07529	4.6
151.11185	1.5
155.08496	1.3
157.10066	2.4
158.07306	1.6
159.08034	4.0
159.11755	3.2
161.05994	3.2
161.09656	5.5
162.05478	1.7
163.07565	3.6
163.11188	66.7
165.09181	5.0
165.12819	1.3
167.10683	18.2
169.08662	11.6
169.10010	2.3
171.08023	1.7
171.11627	2.4
173.09618	10.2
175.07579	1.5
175.11186	2.2
177.09108	1.9
179.10657	3.0
181.12201	11.9
183.11639	1.2
185.09641	1.4
187.11247	2.1
187.54984	1.5
189.09149	2.6
189.12752	1.3
191.10664	35.0
196.08920	1.4
199.14966	1.5
201.12796	2.1
207.10225	1.5
209.11725	19.9
211.11285	1.3
213.09149	1.8
215.10655	1.3
219.13855	1.4
227.12733	13.9
229.12218	1.7
243.13808	2.2
247.13269	1.3
253.12340	2.4
255.12308	2.9
257.11722	1.7
257.19000	1.6
271.13239	3.6
271.16650	1.3
277.10757	3.0
287.20102	5.7
289.14377	5.6
291.15918	1.6
293.13782	3.9
295.11755	1.9
299.19980	4.7
305.13580	1.5
305.21143	6.2
309.16980	11.2
317.13956	3.8
317.21075	3.9
321.04016	3.0
335.14993	8.4
335.22113	3.6
353.10095	5.7
353.15961	100.0
353.22485	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	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	12.2
55.01866	7.1
55.05514	11.5
55.54826	1.7
57.03431	3.9
65.38049	1.7
67.05503	15.8
69.03433	21.4
69.07078	14.1
69.85528	8.1
71.04990	11.5
73.11274	1.6
79.05502	23.0
79.06468	1.7
81.03423	85.7
81.07060	50.1
83.04992	9.2
83.08630	3.0
83.62119	1.6
85.02899	6.2
85.06555	3.2
91.05473	14.1
93.07049	53.5
95.04980	12.7
95.08606	16.8
97.02900	10.4
97.06524	10.2
99.04454	16.9
105.01909	3.8
105.04526	2.5
105.07036	29.5
107.04957	6.5
107.07877	3.1
107.08601	49.0
109.02885	77.3
109.06541	15.3
109.10167	9.6
110.03661	8.0
111.04443	9.5
111.08083	6.7
113.06010	3.4
117.07017	5.6
119.08575	16.3
121.06521	18.8
121.10139	39.4
122.05973	2.3
123.04426	4.6
123.08071	4.9
125.02370	10.2
125.06016	3.8
127.03922	45.0
127.07480	2.4
130.07806	2.4
131.08589	4.6
133.06480	3.0
133.10150	5.5
135.08043	11.3
135.11676	14.3
136.05154	2.1
136.06221	5.7
137.09610	6.9
138.32953	1.7
139.07617	3.5
139.11171	5.1
143.08543	3.5
145.04988	3.0
145.06604	2.2
145.10135	26.9
145.97231	1.8
147.08060	3.3
147.11642	9.3
149.05998	4.3
149.09627	14.1
151.07556	4.6
155.08589	2.4
155.10628	1.9
157.10118	3.7
161.06024	2.3
161.09598	4.5
163.07550	3.9
163.11186	72.3
165.09102	4.6
167.10716	16.4
168.04791	3.2
169.08644	18.7
173.09665	6.9
175.07530	2.7
175.11208	2.6
177.09111	2.2
179.10664	3.7
181.12236	15.9
185.09390	1.8
185.11739	2.3
191.10686	42.7
207.10225	2.5
209.11685	19.8
213.09230	2.2
227.12746	14.7
229.12219	2.2
243.13884	2.6
255.12355	3.4
271.13275	4.8
277.10696	3.2
289.14371	6.4
290.25327	1.8
293.13718	4.2
295.11877	1.8
299.20032	2.0
300.15298	2.3
309.17023	11.0
317.13809	3.0
335.15106	9.2
335.22156	4.3
353.15948	100.0
353.23004	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	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79652	1.2
51.02370	1.6
53.03946	10.4
55.01870	6.0
55.05521	9.8
56.96528	1.2
57.03433	3.0
57.07055	1.4
60.38834	1.1
65.03910	1.9
67.05511	10.7
69.03429	21.3
69.07073	11.5
71.04997	12.3
79.05495	20.5
80.69211	1.2
81.03419	73.0
81.06595	2.5
81.07057	39.3
83.04980	10.5
83.08638	1.8
84.08142	1.4
85.02911	7.1
85.06543	2.7
91.05487	12.2
93.07047	44.2
95.04975	9.3
95.08606	13.9
97.02876	9.3
97.06539	8.2
98.66270	1.2
99.04463	17.2
105.01886	1.9
105.07035	29.3
107.04951	3.8
107.08596	38.4
107.09315	2.7
109.02884	67.1
109.06528	10.5
109.10155	9.1
110.03657	5.6
111.04434	9.5
111.08103	6.0
113.05991	1.5
117.07007	4.5
119.08596	12.2
121.06494	15.7
121.10154	34.2
121.11032	1.7
123.04421	3.7
123.08058	5.0
123.11746	1.3
124.05224	1.4
125.02361	8.4
125.05983	3.4
127.03914	37.9
127.07550	3.5
128.06244	1.4
130.07846	1.4
131.08537	6.5
133.06444	2.0
133.10126	4.5
135.08096	8.0
135.11685	11.9
137.05957	2.2
137.09627	5.3
139.07547	1.6
139.11183	4.3
140.10577	1.4
143.08559	3.6
145.06488	3.6
145.10123	24.5
147.04454	2.8
147.08005	2.5
147.11705	6.4
149.05989	3.7
149.09641	12.9
151.07544	3.5
155.08678	1.7
157.10173	1.3
159.08107	2.0
159.11691	1.4
161.05971	3.3
161.09615	5.4
163.03941	2.9
163.07553	2.2
163.11183	59.2
164.04245	3.8
165.09131	4.2
167.10672	13.3
169.08601	13.1
169.10007	2.6
171.08105	1.4
173.09621	7.6
173.13083	1.5
175.07558	1.5
175.11232	1.3
177.09079	2.3
179.10666	2.4
181.12242	11.1
185.09550	2.0
189.09148	2.4
191.10672	38.7
191.14253	1.7
192.10831	1.5
197.13298	1.5
201.09169	1.8
201.12933	1.1
203.10719	1.5
209.11745	15.5
213.12741	1.7
215.10457	1.2
225.12924	1.5
227.12788	12.4
228.95651	1.6
229.12155	1.5
243.13837	2.8
255.12155	1.9
269.19214	1.7
271.13312	4.5
271.74594	1.3
275.12692	2.1
277.10718	2.2
286.22446	1.3
287.19958	2.8
289.14188	5.8
291.15948	1.4
293.13974	2.7
295.11993	3.0
299.12604	1.5
299.20184	1.7
305.21127	5.6
309.16855	9.1
317.13843	4.1
335.14890	4.7
335.22040	2.3
353.15967	100.0
353.22476	8.9
354.16299	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.7
53.03945	10.2
55.01862	5.8
55.05517	16.2
57.03441	2.7
57.07078	2.7
65.03949	3.6
67.05511	27.0
69.03435	24.3
69.07068	21.9
71.04993	11.0
78.43362	1.4
79.05501	27.4
81.03424	77.6
81.06590	3.7
81.07063	59.8
83.04975	10.6
83.08622	4.8
85.02916	2.7
85.06550	5.5
91.05482	18.1
93.07047	59.3
95.04978	13.2
95.08059	2.5
95.08616	26.5
97.02901	7.4
97.06545	11.7
97.10175	5.5
99.04462	17.0
99.08103	3.3
105.07040	34.2
106.07365	2.0
107.04947	6.7
107.08599	46.5
109.02887	64.4
109.06526	14.3
109.10164	19.1
110.03664	5.3
111.04455	7.3
111.08086	6.6
113.05996	4.1
115.05492	2.4
117.07011	4.6
119.08575	16.9
120.08105	2.2
121.06531	15.9
121.10151	40.5
123.04440	4.4
123.08093	7.8
123.11724	4.0
125.02378	7.1
125.06068	3.6
125.09640	4.9
127.03089	3.1
127.03934	31.8
127.07584	5.1
128.06235	2.4
129.07018	2.8
130.06551	1.7
131.08574	9.3
133.06441	2.3
133.10126	9.7
135.04410	2.1
135.08066	13.0
135.11711	15.2
137.05984	4.3
137.09590	10.5
137.13260	2.3
139.07594	2.4
139.11200	8.3
140.04933	5.9
143.08586	5.2
145.06557	2.3
145.10129	31.8
147.04448	3.1
147.08070	5.3
147.11691	8.9
149.06036	4.4
149.09645	14.2
151.07558	4.1
151.11218	3.4
155.08673	1.9
155.21478	1.6
157.10158	3.5
159.08086	4.5
159.11737	3.9
161.05974	5.7
161.09613	5.9
162.03108	7.6
163.03949	4.3
163.07576	4.6
163.11189	63.9
165.09094	4.1
165.12784	2.7
167.10692	14.0
168.04465	2.9
169.08595	15.1
170.06079	1.8
171.11766	1.8
173.09656	6.0
173.13324	3.1
174.05493	2.0
175.03934	4.8
175.07574	2.7
175.11174	4.0
177.09160	1.8
179.07036	2.4
179.10716	4.6
181.12207	11.9
183.11737	2.3
185.04826	2.0
186.05528	22.9
187.03716	3.3
187.07562	2.0
187.14903	2.0
189.09200	3.5
191.07036	6.0
191.10699	37.7
193.12303	2.8
194.12527	2.2
197.13455	1.9
199.11285	1.9
200.07031	2.4
201.04211	8.9
201.09102	2.1
202.04982	3.5
207.10141	1.8
209.11758	14.5
212.03246	9.0
214.04971	15.4
216.06567	22.2
219.13794	2.9
225.11140	2.0
227.12794	14.5
230.04538	13.0
232.06061	4.3
240.03006	2.2
242.04411	1.9
242.08145	2.1
243.13895	2.5
244.06224	5.0
258.04019	21.7
260.05673	2.5
261.22217	5.9
265.14542	2.1
268.16351	3.0
271.13336	3.6
275.12808	1.8
277.10657	3.1
280.12061	1.6
286.07077	16.6
286.17346	3.5
287.20209	2.0
289.14307	2.5
289.21619	3.7
293.13843	4.9
295.11801	2.4
304.08197	5.3
309.16995	10.7
317.13843	4.1
317.21011	4.1
318.09735	37.5
318.13239	2.8
335.14938	9.6
335.22116	5.9
335.25790	2.5
336.10791	6.3
353.16000	100.0
353.22449	10.3
353.26956	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	353.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	12.8
55.01862	5.4
55.05513	14.5
57.03436	2.7
66.62241	2.1
67.05506	16.0
69.03430	22.6
69.07077	16.3
69.25716	14.8
71.04999	13.8
79.05498	18.9
81.03420	81.6
81.06596	3.0
81.07058	45.6
83.04991	11.2
83.08609	2.7
85.02905	2.9
85.06536	4.7
91.05473	12.3
93.06490	3.2
93.07048	49.4
95.04971	13.5
95.08608	18.8
97.02878	9.5
97.06542	11.1
97.10135	2.2
99.04456	16.7
105.07042	31.7
107.04934	6.1
107.08600	41.1
108.43398	1.4
109.02887	65.0
109.06503	12.4
109.10172	9.7
110.03661	6.2
111.04453	9.8
111.08111	7.5
114.45333	1.5
117.07011	5.9
117.83209	1.5
119.08569	13.6
121.06516	15.9
121.10149	35.0
123.04445	3.9
123.08054	5.3
123.11758	2.8
125.02335	10.0
125.06010	3.0
125.09615	2.0
127.03918	34.2
127.07511	3.1
129.06990	2.3
130.07762	1.8
131.08546	7.8
133.06473	2.1
133.10123	6.5
135.08046	11.2
135.11703	10.9
137.06041	3.5
137.09605	7.0
139.07571	1.7
139.11186	2.5
143.08578	2.8
144.08072	3.6
145.06453	1.8
145.10126	23.7
147.08067	5.2
147.11694	7.5
149.05956	2.7
149.09636	12.6
151.07532	7.8
151.11174	2.3
151.33745	1.4
153.09216	2.0
155.08569	2.8
157.10103	2.0
159.08035	3.2
159.11639	2.2
161.05994	2.7
161.09596	5.5
163.07600	2.4
163.11185	65.7
163.12560	3.7
165.09109	2.5
167.10701	16.1
169.08672	10.2
173.09659	7.1
175.11275	3.0
179.10628	3.5
181.12259	12.1
189.09021	2.8
191.07144	1.6
191.10675	39.2
197.13307	1.6
201.09192	1.7
201.12675	2.0
206.06256	1.5
209.11707	20.1
210.10440	1.5
215.14406	2.3
227.12709	10.5
255.12273	2.1
271.13223	4.0
275.12946	2.8
277.10721	2.4
289.14331	6.4
290.13159	1.5
293.13855	5.3
299.12698	1.7
299.20230	2.0
309.16901	12.1
317.13889	3.4
317.21234	2.8
335.14841	6.6
335.22375	2.7
353.15921	100.0
354.16339	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	353.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03310	0.3
57.55137	0.3
66.45481	0.3
69.91968	1.6
79.05508	0.4
81.07011	0.4
85.61461	0.3
93.07053	0.4
95.04969	0.3
95.08581	0.4
97.06519	0.5
98.20810	0.6
102.25787	0.3
105.03438	0.3
105.07080	0.4
107.04981	0.7
108.97972	0.3
111.08092	0.4
111.56584	0.3
113.30109	0.3
116.49007	0.3
149.02669	0.3
214.98160	0.3
215.11305	0.3
335.21140	0.5
353.22995	100.0
354.23044	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03946	2.8
55.05514	15.2
57.03427	6.4
57.07077	2.6
65.03939	3.7
67.05508	88.1
69.07064	16.3
69.78934	5.2
69.79348	5.5
79.05074	3.0
79.05497	39.2
79.05933	1.3
81.07059	94.3
83.08610	7.2
85.06525	2.6
91.05487	17.5
93.07043	49.4
95.08613	74.8
97.06532	2.7
99.08039	2.3
105.07040	17.9
107.08596	34.7
109.10161	39.9
117.07003	6.2
119.08587	14.8
121.10152	31.0
123.11723	23.6
131.08562	21.2
133.10153	12.5
135.11702	24.1
137.09628	2.7
137.13240	7.9
145.10114	14.4
147.11697	13.9
149.09619	2.4
149.13271	20.6
151.11128	2.3
153.12714	2.6
159.11688	13.0
161.13281	11.2
163.14825	13.0
165.12772	2.7
173.13246	14.8
175.14832	3.0
177.16432	5.6
187.14799	8.6
201.16371	2.7
205.15901	2.1
233.22652	3.7
243.21103	27.8
261.22150	100.0
279.23108	6.4
283.96573	1.8
297.41742	1.9
335.25723	14.7
353.26846	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.05515	13.3
57.07066	4.4
65.03938	2.5
67.05505	64.3
69.07068	11.2
69.41644	6.4
69.42063	6.9
71.04981	2.8
73.97984	1.9
76.71170	1.9
76.87455	1.6
79.05025	1.6
79.05490	36.7
81.07058	74.9
83.08621	5.9
85.06568	2.6
91.05490	18.6
93.07048	50.1
95.08614	51.5
97.06509	2.6
97.10237	1.9
102.31057	1.9
105.07039	13.9
107.08601	36.1
109.10163	33.6
117.07037	6.7
119.08580	12.2
121.10152	32.9
123.11718	18.4
131.08582	17.9
133.10159	14.2
135.11707	21.5
137.13283	6.3
145.10120	11.7
147.11707	13.2
149.13255	21.6
151.14879	2.0
153.12732	2.4
159.11702	11.3
161.13217	10.0
163.14864	12.6
173.13268	15.5
175.14786	3.5
177.16388	5.3
179.14403	3.2
187.14795	10.1
201.16437	3.3
233.22652	3.8
243.21077	33.8
261.22159	100.0
279.23193	2.8
335.25854	12.2
353.26917	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.38982	1.6
53.03931	2.8
55.05512	13.6
57.03429	4.7
57.07072	3.4
65.03942	2.3
67.05509	91.7
69.07072	12.7
69.46958	1.4
70.77891	3.3
70.78210	2.4
71.04979	3.6
71.08636	2.0
78.34480	1.5
79.05495	42.0
81.07059	91.9
83.04980	2.0
83.08605	7.2
85.06538	5.1
91.05060	1.6
91.05494	15.3
93.07046	51.5
95.04969	2.2
95.08613	69.0
97.10162	4.6
99.08106	2.1
105.07048	16.7
107.08604	31.7
109.06516	1.7
109.10164	38.7
109.93374	1.6
111.08128	2.0
117.07023	7.3
119.08596	18.4
121.10152	33.5
123.08005	2.0
123.11708	20.3
131.08575	19.5
133.10120	11.4
135.11693	23.6
137.09554	2.3
137.13272	9.0
143.08791	1.6
145.10127	12.7
147.10574	1.9
147.11729	12.6
149.13284	20.6
151.14818	2.0
159.11716	12.6
161.13240	8.9
163.14854	13.0
165.12802	2.2
173.13266	13.3
174.17798	1.6
175.14835	4.1
177.12793	1.9
177.16414	6.6
179.14345	1.9
183.55705	1.6
187.14836	8.8
205.15865	2.2
233.22531	3.8
243.21095	25.6
261.22144	100.0
263.21170	1.6
271.57620	1.5
279.23117	7.8
296.95004	1.5
317.24573	1.9
335.25787	20.0
353.26871	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05517	18.1
57.03435	3.6
57.07070	5.7
65.03918	2.2
67.05509	83.5
69.03409	1.4
69.07073	12.7
69.36272	2.8
69.36672	11.1
71.05006	2.2
77.03951	1.6
78.22541	1.6
79.05502	43.1
81.07063	89.3
83.04978	2.0
83.08625	7.6
85.06559	3.0
91.05476	20.8
93.07051	55.7
95.08611	68.8
97.06519	3.8
97.10154	4.0
99.08082	2.5
105.07047	15.7
105.55860	1.7
107.08599	40.0
109.10165	32.6
113.09641	1.8
117.07016	7.5
119.08588	16.5
121.10147	33.4
123.11705	22.4
131.08604	19.4
131.89497	1.5
133.10156	12.3
135.11707	30.2
137.13266	10.2
145.10114	15.5
147.11713	10.1
149.13258	22.2
151.14807	2.3
159.11711	14.5
161.13284	9.0
163.14850	14.3
165.12791	1.8
168.46275	1.8
173.13266	17.7
175.14897	4.2
177.12721	1.6
177.16379	7.2
179.14423	2.1
187.14841	11.6
189.04079	1.6
191.14363	1.8
201.16353	3.7
205.15979	1.6
206.79616	1.6
215.18068	2.3
233.22755	4.4
243.21097	25.2
244.36044	1.5
261.22150	100.0
262.22467	1.6
279.23279	3.8
284.25949	1.8
289.20465	1.8
335.25848	8.7
342.08646	1.5
353.26880	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.05509	14.7
56.92057	1.6
57.03440	4.4
57.07076	4.6
67.05510	74.6
69.07073	12.4
69.97112	6.4
69.97492	3.7
71.04982	2.0
77.83008	1.7
79.05495	37.3
80.43888	1.9
81.07061	79.9
83.08620	6.6
85.10127	2.0
91.05476	17.6
93.06489	3.5
93.07047	55.8
95.04993	2.4
95.08609	56.2
97.06516	3.8
97.10184	3.0
98.20800	2.0
99.08081	2.7
100.63430	1.8
105.07021	16.4
107.08599	38.2
109.10160	31.0
110.07607	1.8
111.08063	2.6
117.07011	8.8
119.08588	14.5
121.10146	36.5
122.00815	1.6
123.11710	15.9
131.08565	23.7
133.10133	13.4
135.11690	28.3
137.13255	4.8
145.10101	16.2
147.11778	8.3
149.13258	18.7
151.14789	2.7
152.20821	1.6
159.11714	12.6
161.13287	11.3
163.14847	12.1
165.12759	3.9
170.54144	1.6
173.13226	16.5
175.14842	2.8
177.16345	5.3
187.14873	9.1
196.16803	2.0
201.16402	3.2
233.22647	6.0
243.21095	26.5
261.22141	100.0
270.79352	1.8
279.23227	2.9
335.25873	10.2
353.26904	34.4
375.61163	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03950	2.1
55.01865	2.0
55.05516	10.1
57.03440	2.8
57.07061	7.2
57.94403	1.7
60.90016	1.6
65.03969	2.5
67.05509	79.6
69.07064	11.9
69.22620	11.1
69.23035	5.9
71.08636	3.0
71.19099	1.5
75.04485	1.6
75.35963	1.6
79.05501	42.2
81.07063	81.2
83.04990	2.3
83.08627	6.9
85.06535	3.9
86.52274	1.8
91.05489	21.8
93.07051	62.5
95.08612	66.3
97.06527	2.1
97.10159	3.0
99.08101	3.4
102.13960	1.7
104.72396	2.1
105.07040	18.9
107.08599	43.3
109.10162	27.1
113.09700	2.2
117.07040	9.2
119.08601	12.4
121.10151	32.0
123.11736	14.0
131.08585	21.8
133.10127	10.9
135.11710	22.0
137.09601	2.2
137.13298	7.8
139.65152	1.6
145.10152	15.6
147.11751	9.3
149.13261	22.0
153.12756	2.1
159.11697	12.1
161.13258	10.6
163.14842	16.5
165.12822	2.5
173.13290	14.4
175.14885	4.3
177.16454	4.6
187.14838	10.9
190.29263	1.6
191.14380	1.7
198.18362	1.6
201.16522	1.8
205.16000	2.7
217.07460	1.5
233.22639	5.7
243.21109	35.7
255.13713	1.6
261.22153	100.0
263.23651	2.3
279.23209	2.6
310.42505	1.7
335.25793	7.7
353.26932	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	2.2
55.01849	1.4
55.05510	13.7
57.03444	6.1
57.07082	5.1
59.92851	1.0
65.03940	2.9
67.05508	90.7
69.07076	12.5
69.34791	7.3
71.04973	2.0
75.04496	1.1
79.05495	39.7
81.07060	100.0
83.04973	1.1
83.08627	7.6
85.06544	3.4
91.05487	19.9
93.07048	53.0
95.04964	2.4
95.08611	71.4
97.06532	3.5
97.10143	3.9
99.08110	1.6
102.62919	1.0
105.04545	1.2
105.07034	16.3
107.07878	2.0
107.08601	35.6
109.06520	2.1
109.10162	38.4
111.08078	1.3
113.09638	1.4
117.07026	9.5
119.08602	13.5
121.10146	34.6
123.08088	1.8
123.10843	1.4
123.11709	23.4
127.11233	1.3
131.08568	17.2
133.10135	14.4
135.11700	28.4
137.09564	2.6
137.13266	8.2
139.11230	1.1
145.10124	14.4
147.11702	12.5
149.13255	21.8
151.11179	2.2
151.14838	2.3
159.11714	12.4
161.13269	10.2
163.14828	11.8
165.12743	2.2
173.13274	14.1
175.14824	2.9
177.16385	4.0
179.14241	1.8
187.14841	9.7
201.16324	2.5
215.17841	1.0
233.22646	5.0
243.18826	1.9
243.21100	25.9
261.22150	89.7
263.23761	1.5
279.23117	5.6
317.24771	1.3
335.25821	15.7
353.26862	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.13839	1.1
53.03939	4.5
53.45978	1.5
55.01862	1.9
55.05517	15.7
57.03441	6.8
57.07082	7.9
65.03955	3.1
67.05511	93.2
67.99779	1.4
69.06734	1.5
69.07077	16.9
69.34197	11.5
71.04990	4.0
71.08636	8.3
75.04469	1.8
79.05504	53.0
81.03429	2.0
81.07065	100.0
83.05002	2.4
83.08621	11.3
85.06549	6.1
85.10178	2.7
91.05486	26.5
93.07053	66.7
95.04981	7.0
95.08615	83.6
97.06552	7.2
97.10163	4.4
99.08102	9.1
105.06393	2.3
105.07043	22.3
107.08607	45.9
109.06502	3.5
109.10171	33.5
111.08082	2.5
111.11707	1.6
113.09654	3.8
117.07008	11.1
119.08582	17.1
121.10158	39.5
121.56233	1.4
123.08050	2.1
123.11713	16.3
125.09630	1.9
131.08571	25.3
133.10175	13.6
135.08070	3.9
135.11702	30.8
137.09502	1.6
137.13290	8.6
143.08589	2.1
145.10129	19.7
147.11737	14.1
149.09608	2.9
149.13287	19.4
151.14821	4.0
153.12790	2.1
157.10109	2.4
159.11687	12.7
161.09660	1.7
161.13281	14.0
163.11142	2.2
163.14851	17.5
165.12811	3.0
171.11700	2.0
173.13292	16.1
175.14819	3.4
177.12793	2.2
177.16394	8.6
187.14813	10.0
191.14293	2.5
201.16301	3.3
205.15950	2.4
215.14333	1.5
217.19530	1.8
233.18993	1.8
233.22710	7.6
243.21107	42.1
244.21379	1.7
261.22165	89.9
279.23135	5.6
293.23068	1.6
322.24582	2.1
325.14285	5.4
335.25974	16.3
353.27185	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30778	1.5
53.03942	8.5
55.01875	8.0
55.05515	9.3
57.03426	6.9
61.02920	7.5
67.05511	11.6
69.03432	36.5
69.07070	7.7
69.18901	10.9
69.19304	3.7
71.04980	6.4
73.02910	5.9
77.50072	1.4
79.05493	5.4
80.97595	1.7
81.03425	34.4
81.07053	10.2
82.03771	4.8
82.07403	2.8
83.04987	4.1
83.08622	4.9
85.02913	100.0
87.00840	41.1
87.04485	2.3
91.03970	1.7
91.05489	4.5
92.05847	2.0
93.07051	8.5
94.07376	3.3
95.08607	5.6
97.02901	33.9
97.06559	2.1
97.10146	2.9
99.04477	16.4
103.04005	2.2
105.01877	88.8
105.07030	5.5
106.07315	2.3
107.08606	7.5
108.04461	1.6
108.08926	4.0
109.02886	43.7
109.06489	2.0
109.10155	9.7
110.03189	4.0
110.25521	1.7
110.49294	1.7
111.04442	2.0
111.08104	1.7
117.01852	2.6
119.08602	3.2
121.10123	5.1
122.10535	2.2
125.09642	4.8
127.03927	76.4
128.04222	4.2
129.01834	3.3
131.08586	1.9
133.20715	1.6
135.08067	2.9
136.06134	1.8
139.11121	3.4
145.04968	37.1
145.10129	2.7
146.10452	2.6
147.02895	2.5
147.04398	2.0
151.03928	5.6
157.12241	5.2
159.02888	13.4
163.11243	4.9
164.11569	5.8
168.11064	2.5
173.11769	4.0
182.12544	2.3
189.03847	2.5
191.10670	3.7
192.11029	3.6
197.11729	1.7
209.11717	2.7
210.12193	2.2
229.14355	6.7
231.04999	25.7
249.06097	7.6
274.77911	1.7
283.15341	2.3
336.14767	2.1
354.16211	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	354.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.2
55.05511	26.4
56.96528	4.8
62.05801	5.9
62.06094	96.6
67.05510	26.8
69.03428	5.6
69.07060	21.2
69.11198	4.6
70.62797	14.6
71.04971	5.0
79.05488	28.0
81.07064	53.0
83.08620	10.2
86.02773	5.1
86.91224	5.6
91.05467	30.1
93.07045	31.2
95.04954	10.1
95.08635	31.3
97.06526	20.4
97.10186	9.7
105.07031	36.0
107.08588	17.5
109.06535	11.3
109.10158	16.0
111.08068	6.6
117.07021	14.0
119.08592	22.5
121.10160	8.3
123.08059	18.8
123.11684	5.7
129.06969	8.0
131.08568	56.2
133.10120	20.0
135.08087	6.2
135.11658	10.4
141.08969	4.5
143.08560	36.3
145.10141	49.1
147.08035	6.2
147.11700	13.4
157.10130	9.5
159.11667	10.0
161.09579	8.2
161.13263	6.2
171.11674	10.1
183.11659	7.3
185.13324	10.2
195.11768	7.0
201.12852	6.5
237.16429	23.6
250.18050	14.9
255.17455	15.0
263.19977	5.7
268.19022	15.5
270.11075	10.8
273.18475	67.2
275.20099	7.6
291.19565	100.0
292.19583	5.6
318.24341	23.9
321.24301	5.8
333.14706	24.1
333.64902	5.6
336.25510	26.7
354.22672	6.5
354.26508	33.1
355.15405	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	354.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	23.9
57.07065	17.3
59.94514	20.0
65.08168	16.3
67.05484	42.5
67.23838	15.9
69.07041	16.2
71.08617	21.8
71.52882	24.2
71.55452	14.5
79.05495	32.0
81.07041	50.7
85.90079	15.6
91.05521	21.1
93.07024	32.7
95.08596	28.9
105.07079	16.9
107.08573	18.8
133.10201	21.4
135.11656	22.4
157.91441	20.8
179.14285	58.9
191.81320	19.2
217.07451	18.1
229.07510	80.2
236.42091	17.2
247.08536	29.9
277.21637	100.0
309.24173	28.1
315.57755	17.7
354.18912	31.0
354.41031	51.8
355.28470	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	354.3366
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
50.00197	1.7
51.24055	1.7
55.05497	8.8
55.07190	1.8
56.05021	1.7
57.07075	13.3
58.02965	2.7
58.06603	14.6
60.04528	1.9
67.05506	8.3
69.07069	14.3
69.15587	20.2
69.53603	1.8
70.06580	6.4
71.08617	9.2
72.04529	2.6
81.07071	13.8
82.06578	2.1
83.08620	11.9
84.08141	3.8
85.10160	4.0
85.42210	1.8
86.06069	3.6
95.08607	16.8
97.10182	7.5
98.09689	2.2
103.07578	2.4
107.08559	2.7
109.10143	7.0
111.11712	4.5
111.87051	2.3
133.42484	1.9
135.11650	2.5
216.03795	2.1
294.31549	2.9
307.29581	1.9
308.33194	5.5
326.34207	2.4
336.32449	11.1
348.27631	1.8
354.33688	100.0
369.09875	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	355.2842
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.02390	1.7
53.03915	1.7
55.05514	32.5
57.03440	9.9
57.07085	13.6
65.03934	2.0
67.05506	79.6
69.07069	29.7
69.26223	10.6
69.26625	3.9
71.04965	2.3
71.08633	5.8
78.03566	1.6
78.53391	1.5
79.05492	24.7
81.07059	100.0
83.04961	2.4
83.08620	27.4
85.06581	3.9
85.10159	2.6
91.05490	17.3
93.06494	2.1
93.07050	26.6
95.08608	89.7
97.06525	7.3
97.10178	16.5
99.08072	3.4
105.07039	12.4
107.08603	19.0
109.06544	1.5
109.10167	45.2
111.08059	3.2
111.11712	5.9
113.09652	2.4
119.08588	14.1
119.36911	1.5
121.10143	27.1
123.11707	23.8
125.09573	1.8
133.10146	17.8
135.11681	15.1
137.13243	7.3
139.84846	1.6
141.12669	3.5
144.28821	1.5
147.11667	11.9
149.13281	14.8
151.11198	2.0
151.14815	8.4
153.12752	1.7
155.14247	2.4
161.13234	12.5
163.14818	13.3
165.12796	2.7
165.16350	6.1
167.14291	2.1
175.14809	10.5
177.16444	3.0
179.17929	5.3
189.16420	7.5
231.10291	1.5
245.22664	54.1
263.23715	62.0
265.25363	3.0
337.27371	39.8
355.28693	7.8
355.33408	2.1
356.35175	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07139	1.6
55.01876	2.1
55.05515	22.7
57.03439	6.1
57.07079	11.5
67.05508	78.2
67.72272	1.6
69.07070	34.6
69.23708	12.9
69.24110	2.6
71.05007	2.3
71.08627	8.1
79.05492	22.8
81.07059	100.0
83.08623	24.7
85.06563	3.7
85.10204	3.9
91.05480	20.5
93.07043	25.0
95.04974	2.1
95.08609	85.9
97.04808	1.7
97.06536	9.8
97.10172	21.3
99.08105	2.9
105.07029	12.4
107.08601	20.5
109.10159	48.6
111.08076	3.8
111.11715	8.4
113.09652	2.0
113.11404	1.6
115.07592	1.7
119.08566	15.8
120.60001	1.6
121.10139	28.2
123.11707	25.7
125.09600	2.1
125.13246	2.4
127.11253	1.7
130.10768	1.6
133.10143	18.7
135.11668	16.9
137.13257	9.2
139.11206	2.4
141.12767	2.8
147.11694	14.0
149.13245	16.5
151.11215	1.7
151.14900	8.7
155.14397	2.2
161.13274	14.9
163.14818	14.1
165.12787	1.7
165.16434	6.6
175.14847	12.0
179.14377	2.5
179.17982	5.7
189.16385	7.5
197.72174	1.7
217.12486	1.9
245.22655	58.3
263.23721	58.9
271.66718	1.8
304.22983	1.6
337.27362	38.0
355.28412	6.5
355.34167	3.2
356.35196	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	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
54.90923	2.6
55.05313	2.5
55.05519	25.1
55.33716	2.7
57.03442	8.2
57.07074	10.8
64.08082	2.6
67.05510	79.8
69.07073	38.6
69.93030	12.6
71.08622	6.1
75.04500	3.4
75.25165	2.7
79.05492	22.0
81.07060	100.0
81.07534	5.8
83.08625	29.3
85.06525	3.9
85.10159	3.0
91.05506	15.8
93.07050	29.9
95.08614	85.5
97.06539	10.3
97.10167	23.9
98.20780	3.1
99.08078	5.2
105.07042	12.5
107.08602	23.5
109.10160	46.5
111.08090	5.6
111.11737	8.4
113.09620	3.3
119.08582	18.6
121.10145	30.6
123.11716	26.2
129.05461	4.2
133.10141	16.0
135.11751	13.8
137.13254	10.3
141.12747	3.3
147.11684	14.4
149.13274	12.1
151.14796	7.1
155.14290	3.3
161.13269	16.6
163.14812	17.7
165.16411	9.4
175.14857	14.4
177.16327	3.3
179.17969	8.0
189.16408	6.1
193.15805	3.1
198.40758	3.4
222.54588	2.8
227.42932	2.5
245.22664	62.5
263.23730	63.5
337.27310	45.4
347.59317	3.5
355.28412	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	355.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.4
54.07547	1.2
55.05513	26.4
57.03444	9.3
57.07075	10.4
59.63505	1.5
65.03934	2.1
67.05509	79.2
69.07069	32.5
69.23212	13.7
71.04982	2.0
71.08627	5.6
75.75450	1.5
79.05073	2.2
79.05503	26.5
81.07062	100.0
83.08165	1.7
83.08621	24.2
85.06538	3.3
85.10191	3.0
91.05479	18.2
93.07048	29.3
94.26828	1.4
95.08612	86.7
97.06561	9.0
97.10173	18.6
99.08096	3.2
103.03917	1.9
105.07034	13.2
107.08591	19.2
109.10161	46.5
111.08066	4.1
111.11721	6.1
113.09625	1.9
119.08582	17.4
121.09340	2.2
121.10147	29.2
123.08018	2.3
123.11709	26.0
125.09630	2.6
127.11130	1.5
133.10141	17.0
134.46114	1.5
135.11707	15.2
137.09598	2.4
137.13272	9.9
141.12732	3.0
147.11682	13.6
149.13269	15.6
151.11192	2.4
151.14824	7.9
155.14279	3.1
161.13263	16.0
163.14819	14.1
165.12726	1.7
165.16409	10.9
167.14429	1.9
175.14853	12.7
177.16333	2.1
179.14378	2.1
179.17979	7.6
181.15855	3.0
189.16351	7.9
193.15779	1.9
207.17355	2.1
217.19458	2.5
232.76505	1.5
237.76326	1.5
245.22667	67.1
247.24272	2.6
263.23715	72.2
265.25290	3.8
302.63004	1.3
337.27399	39.4
355.28305	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2844
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
51.10074	1.3
53.03953	1.8
55.01871	2.0
55.05270	2.3
55.05513	29.8
57.03449	8.8
57.07082	13.2
64.56699	1.3
65.03942	1.6
67.05510	89.3
69.07074	42.7
69.07426	0.9
69.37046	9.4
71.04996	2.8
71.08626	7.0
79.05499	24.1
81.07063	100.0
83.04967	2.1
83.08622	30.3
85.06545	3.3
85.10168	4.2
88.12482	1.2
91.05487	19.0
93.07050	32.2
95.04976	2.1
95.08614	92.7
97.06548	9.5
97.10173	22.9
99.08109	5.5
105.07050	14.1
107.08596	22.3
109.06467	1.4
109.10165	48.6
111.08060	4.0
111.11713	6.1
113.09655	2.5
119.08598	17.2
121.10149	30.0
123.08083	1.9
123.11713	24.8
125.09666	2.6
125.13277	3.0
127.11198	2.1
127.15710	1.1
129.05498	1.7
133.10144	19.5
135.11694	16.8
137.09644	2.8
137.13271	10.9
139.11157	1.6
141.12738	2.6
147.11687	12.9
149.13280	15.5
151.11147	2.8
151.14835	5.2
155.14310	3.7
156.07152	1.3
161.13264	15.9
161.43471	1.2
163.14842	15.1
165.16423	8.8
167.14374	2.7
167.90730	1.3
175.14864	13.4
177.16417	3.7
179.17899	6.1
181.15909	1.8
181.40584	1.2
189.16403	7.8
193.15974	1.2
197.60909	1.2
203.17889	2.4
207.17567	1.6
210.94986	1.3
217.19539	1.3
245.22661	55.0
246.22720	1.6
263.23734	68.3
264.24124	1.6
265.25311	1.9
275.64832	1.3
281.24768	2.4
337.27377	40.6
355.28714	10.0
355.33841	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	355.2996
Annotation	stellatic aldehyde
Peak:m/z	Relative Intensity
55.05516	21.4
57.07085	7.1
67.05497	22.0
69.07066	17.8
71.04988	4.7
71.08642	6.9
71.17020	10.1
79.05488	14.4
81.07058	100.0
83.08602	13.9
91.05486	19.6
93.07043	59.3
94.68711	4.2
95.04955	6.9
95.08605	64.6
97.06528	7.3
97.10158	10.5
105.07041	41.9
107.08593	57.4
107.96211	3.9
109.06499	4.5
109.10168	34.3
119.08604	33.7
121.10149	41.4
123.08069	4.9
123.11736	18.8
131.08527	10.5
133.10138	24.1
135.11722	29.5
137.09682	4.1
137.13260	5.1
142.01166	4.3
143.08527	4.1
145.10091	11.8
147.11705	23.8
149.13245	47.6
151.11163	7.4
156.80063	3.6
159.11702	25.5
161.13283	22.4
163.14810	24.5
165.08838	4.1
166.21051	4.0
171.11679	4.4
173.13261	22.2
175.14819	16.0
185.13290	4.8
187.14850	13.5
189.16466	22.0
191.17921	27.9
201.16362	8.9
203.18018	7.0
208.74454	3.8
213.16412	12.4
215.17975	11.1
217.19489	11.3
219.17233	3.9
227.17966	6.5
297.25983	3.8
337.29041	20.2
355.29587	43.4
355.34149	12.8
366.19867	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	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05544	4.4
55.01860	7.0
55.05502	21.0
57.03429	20.7
67.05507	88.6
68.05822	7.9
69.03425	14.3
69.07068	15.6
70.71349	8.5
70.71674	6.2
71.04993	6.2
77.04757	4.9
79.05511	38.7
81.03419	7.6
81.07068	73.6
82.07370	5.9
83.04991	56.5
83.08620	7.9
85.06560	10.6
91.05482	63.2
93.07059	64.9
94.07369	9.3
95.04962	24.4
95.08623	27.5
96.08925	6.5
97.06534	100.0
105.07031	69.7
107.04958	14.0
107.08604	50.1
109.06514	17.2
109.10160	57.6
111.08080	13.2
113.06010	6.1
115.07581	6.9
117.06968	9.7
119.08616	10.8
121.06522	4.9
121.10129	13.5
123.08076	10.3
123.11698	18.3
129.06958	5.2
131.08578	18.8
133.06448	10.3
133.09262	7.6
133.10147	95.8
135.08075	11.8
136.63429	5.0
143.08543	5.8
143.22119	4.4
145.10155	8.5
149.09682	8.1
151.11189	67.5
157.10052	5.9
159.08093	9.1
159.86650	4.6
173.13190	6.3
175.11194	7.1
177.09138	17.3
179.10626	9.6
183.13799	16.3
193.12317	7.0
215.14439	7.5
246.22141	5.9
261.18411	11.9
262.22482	6.5
264.23007	8.8
271.16867	8.5
289.17950	45.4
303.19766	5.9
307.18906	8.6
321.20673	28.4
354.51559	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	28.2
55.05506	24.1
56.96561	11.8
57.03424	32.4
66.47400	8.4
67.05496	42.2
69.07053	16.2
69.38508	62.5
79.05502	50.3
81.03430	12.4
81.07050	43.9
83.04982	38.9
83.08625	33.7
91.05471	16.7
93.07060	44.1
95.04974	24.0
95.08600	19.4
97.06541	89.9
97.10149	16.9
98.06865	15.0
99.08136	8.8
100.19510	10.5
101.06004	12.3
105.06972	10.8
107.04960	23.1
107.08583	30.6
109.06555	15.2
109.10178	11.2
111.04456	48.4
111.08076	15.2
117.06992	12.4
119.08578	23.2
121.06509	11.9
121.10183	22.8
123.08105	13.8
131.08551	12.1
135.08051	14.0
135.11688	36.7
138.88994	10.2
140.01718	9.3
145.10127	24.4
147.07990	10.1
149.09653	13.2
153.12738	21.3
156.64064	10.0
159.08044	14.0
163.11218	63.0
173.09596	17.6
181.12221	39.5
191.10652	33.4
209.11728	61.7
223.13293	36.1
227.12802	100.0
241.14372	62.8
275.20142	10.9
289.17932	43.7
303.19189	11.4
307.19025	15.1
312.13095	13.6
321.20749	52.0
356.15845	41.2
356.25867	17.9
377.86566	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	356.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.0
57.07080	2.1
67.05491	5.7
67.16795	1.8
69.07082	9.7
70.06606	11.2
71.05017	2.1
71.54215	2.5
72.04509	2.3
79.05492	2.0
81.07060	6.5
83.08578	4.6
88.07648	13.2
95.08603	3.1
101.06712	1.9
102.09170	3.9
105.07081	1.9
106.08661	5.7
119.08627	1.9
129.66385	2.0
131.08528	2.2
133.10173	2.2
163.11203	1.8
206.56053	2.3
275.20056	2.6
338.34149	4.6
356.28705	14.6
356.35251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3524
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.84834	0.3
55.05516	7.8
56.05003	0.3
57.07070	1.5
58.06581	0.3
62.06074	0.4
67.05519	0.4
69.06742	0.4
69.07076	6.5
69.32123	0.7
69.32533	2.0
70.06206	0.6
70.06595	11.0
71.08619	0.4
74.06139	0.2
81.07056	0.3
83.08622	3.0
84.35252	0.3
85.10158	0.3
86.06081	0.4
88.07635	14.5
95.08597	0.4
97.10164	1.1
98.20749	0.5
102.09187	4.0
106.08670	7.2
155.86847	0.3
226.71933	0.3
256.92294	0.3
294.31677	0.4
312.32697	0.7
338.34128	5.3
356.35233	100.0
357.35492	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	357.0608
Annotation	Demethyltorosaflavone D
Peak:m/z	Relative Intensity
55.01881	1.0
59.30040	0.7
67.63149	0.9
69.07056	0.9
69.61305	5.5
70.06575	2.7
72.08159	1.3
79.05471	1.0
81.03388	1.1
84.08158	4.7
85.02931	1.8
86.09701	5.8
91.05448	0.8
95.04967	1.0
97.02892	1.2
107.08592	0.9
109.02878	2.1
112.11220	1.7
116.07073	2.2
120.60959	0.9
127.03989	1.0
130.08606	1.7
131.08510	1.1
138.54739	0.8
141.06947	1.0
147.11275	1.6
149.09604	1.1
152.06213	1.1
153.07025	4.0
155.05017	1.1
163.05362	1.5
165.07013	8.5
167.08771	1.1
169.06445	1.0
176.06212	1.4
177.05589	1.0
177.06989	2.5
181.05029	1.8
181.06517	6.0
191.04895	5.1
193.04977	1.2
193.06517	6.4
194.41287	0.9
195.02975	1.8
197.05998	3.6
203.04924	1.2
205.06461	6.5
209.05981	7.0
210.06766	1.8
211.07552	8.5
213.05530	2.3
219.04437	2.1
221.05998	31.4
222.06554	2.0
223.03984	1.0
223.07585	4.8
225.05424	2.6
227.07051	2.0
229.04971	26.2
233.05965	2.8
237.05470	40.5
238.05957	1.3
239.07027	7.5
242.14946	1.1
247.03912	4.1
249.05490	26.1
250.06026	1.5
251.07080	3.1
253.04967	2.8
255.06581	7.2
265.04959	28.4
266.05731	3.4
267.03876	1.3
267.06555	16.8
269.04431	1.7
271.06064	1.5
275.03552	1.1
277.05017	3.4
281.04422	1.1
283.06024	62.3
293.04480	39.8
293.07349	0.8
294.05103	1.9
295.06036	15.5
295.09073	1.6
297.03955	6.9
303.02750	1.1
311.05527	77.9
313.07086	2.6
321.03928	10.9
339.00787	1.4
339.05005	47.1
357.06055	100.0
357.24243	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05489	0.7
67.05505	1.2
69.03451	0.5
69.07064	0.6
70.39066	0.4
71.04968	0.6
79.05484	1.8
81.03413	0.9
81.07065	2.2
81.07481	0.5
83.04961	0.9
89.53828	0.4
90.13586	0.4
91.05492	1.2
93.07035	1.7
95.04988	0.9
95.08619	2.1
97.06527	0.7
105.07024	1.3
107.04908	0.7
107.08590	1.5
107.72861	0.4
109.02873	0.7
109.06488	0.5
109.10127	1.4
111.26379	0.4
117.07063	1.0
119.04918	0.4
119.08596	1.2
121.06509	0.8
121.10142	0.9
123.08081	0.6
123.11651	0.9
125.09705	0.4
129.07066	0.7
131.08546	0.8
133.10155	0.6
135.11716	0.4
137.09596	0.8
142.07814	0.6
145.10144	0.6
147.11707	0.7
151.03929	0.9
159.11620	0.5
175.11203	0.6
175.14830	0.4
191.39174	0.4
193.12256	0.7
205.12306	0.5
207.13858	1.6
235.13248	0.7
245.15544	0.4
269.13898	1.7
293.13922	0.7
303.23145	0.5
321.13193	0.7
339.14331	1.7
357.15439	4.0
357.18848	100.0
358.19180	1.9
358.79849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
67.05498	1.3
69.07056	1.0
69.46626	0.4
69.62181	3.0
79.05471	1.0
81.03413	1.2
81.07052	2.2
83.08602	1.0
91.05480	1.2
93.07033	1.3
95.08591	1.5
97.10146	0.7
105.07030	2.1
105.84829	0.5
107.08595	1.8
109.10136	1.3
119.08578	1.8
121.06466	0.7
121.10175	1.1
129.01840	0.5
131.08582	0.8
133.10126	1.8
135.11752	0.5
143.08556	0.7
145.10147	1.2
147.11722	1.4
156.22433	0.5
157.10110	1.1
159.11700	0.8
163.11142	0.7
171.11668	0.5
173.13266	0.7
175.14853	2.5
193.12219	0.8
193.15913	2.6
195.06546	1.3
206.91740	0.6
207.17381	0.9
215.31976	0.5
223.16875	0.6
255.21170	0.6
265.05185	0.7
283.06323	1.8
285.22250	0.8
291.23267	1.0
303.23285	0.8
314.50998	0.5
321.13400	1.7
321.24564	0.8
325.15942	1.2
339.14331	0.6
357.18848	100.0
358.19092	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	357.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.01862	9.5
55.05516	37.2
56.96567	3.0
57.03434	4.4
57.07052	3.5
62.41010	2.9
67.05510	47.9
67.67886	2.7
69.03428	9.6
69.07073	26.9
70.43135	5.0
70.43530	7.2
71.04984	8.0
72.43105	2.4
79.05135	2.8
79.05511	33.5
81.03423	7.2
81.07058	64.2
83.04978	9.6
83.08615	11.9
85.06542	6.3
91.04978	3.4
91.05484	33.7
93.06488	3.4
93.07050	49.9
95.04982	36.3
95.08611	50.1
97.02898	5.4
97.06514	12.3
97.10157	20.0
99.04381	4.1
103.05456	3.8
105.07031	33.6
107.04986	13.1
107.08598	34.0
109.02871	7.6
109.06510	21.0
109.10165	31.2
111.08065	7.5
113.06013	5.4
116.98523	2.5
117.07026	11.1
119.04929	6.4
119.08581	28.5
121.06516	16.8
121.10175	20.6
123.04489	4.4
123.08095	12.2
123.11703	12.5
125.06038	4.4
125.09681	13.8
131.04878	3.6
131.08589	14.3
133.06493	6.3
133.10130	16.4
135.08057	14.6
135.11707	10.8
137.06012	23.9
137.09631	12.1
139.07542	11.4
139.11217	6.5
143.08554	4.9
145.06494	6.8
145.10144	15.5
147.08034	10.0
147.11694	19.0
149.06021	21.3
149.09622	7.7
149.13275	5.8
151.07545	11.0
153.09065	7.3
157.10112	7.3
157.12172	4.4
159.08101	13.2
159.11679	11.9
161.09589	4.4
161.13303	6.4
163.07515	6.5
163.11174	6.9
165.05463	13.2
165.12743	3.6
167.10674	9.7
169.10097	4.5
171.11700	6.0
173.05936	6.3
173.09721	4.6
173.13223	6.7
175.07625	5.1
175.11095	3.8
177.05495	4.3
177.09106	3.3
177.12869	4.0
179.07027	5.7
185.08076	4.7
187.14861	4.7
189.09099	5.0
191.07033	16.8
197.09647	3.4
201.09262	4.2
211.11096	4.0
211.14854	4.7
215.14368	4.8
229.15846	5.2
233.15346	9.5
235.13300	5.3
239.14351	11.0
247.16982	9.1
257.15375	20.1
261.14880	27.3
267.13651	5.4
272.77490	3.0
275.16434	28.7
275.23880	3.1
279.15884	5.5
285.10208	6.1
285.11594	4.7
285.14871	81.3
285.21973	3.5
291.23169	5.5
293.17468	23.5
303.15939	100.0
303.23151	20.1
321.17004	40.6
321.24335	15.0
321.27542	3.2
339.18253	19.1
348.10260	3.1
357.24255	4.2
368.88126	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	357.2638
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03939	4.3
55.05518	33.1
57.03436	6.7
57.07074	7.0
59.04997	5.3
62.87796	2.3
67.05505	30.7
69.03424	9.4
69.07072	64.1
69.62081	2.2
70.11423	9.2
71.05007	5.7
77.91000	2.2
79.05498	20.1
81.03410	3.8
81.07065	100.0
82.07384	2.8
83.04972	5.0
83.08625	7.8
83.59424	2.3
83.70956	2.5
85.06548	20.3
91.05495	12.5
93.06496	3.9
93.07053	46.8
95.04978	17.7
95.08613	69.1
97.06551	17.6
97.10173	49.2
99.08068	9.1
101.05988	2.9
105.07048	27.1
107.08607	38.2
109.06518	11.9
109.10166	31.1
111.08097	21.6
111.11740	16.3
111.92299	2.7
113.06004	5.9
113.09674	2.9
119.08602	21.6
121.10153	34.3
123.08063	4.2
123.11720	46.4
125.09622	7.1
131.08604	4.6
133.10080	13.9
135.11688	27.8
137.09657	4.8
137.13235	9.5
139.07533	3.7
139.11191	38.9
145.10091	9.7
147.11681	24.2
149.05983	4.2
149.09639	5.2
151.11206	5.9
153.12769	27.1
157.12238	34.8
159.11703	14.7
161.13274	9.2
163.11174	4.4
165.12805	14.1
167.07022	4.3
169.12234	3.2
171.13863	2.8
173.11833	3.8
173.13278	6.2
175.11176	3.1
175.14908	5.8
177.16382	3.0
187.13351	5.5
203.12753	11.7
205.15901	3.2
233.15282	5.4
251.16478	3.9
275.23700	8.9
283.17487	3.0
285.22189	3.0
291.23227	12.2
303.23215	41.9
309.24130	6.4
321.24243	75.6
339.25351	16.0
357.16617	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	357.2638
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03952	4.1
55.01855	2.6
55.05513	33.1
57.03435	4.8
57.07065	8.7
59.04987	5.2
65.42815	2.1
67.05179	3.0
67.05510	33.5
69.03427	9.3
69.07072	74.6
70.06593	2.2
70.31895	5.7
70.32214	2.8
71.04996	6.4
71.81996	2.1
73.06575	2.4
73.88908	2.3
79.05505	23.6
81.03470	2.4
81.06589	5.1
81.07063	100.0
83.04990	8.6
83.08624	8.2
85.02885	3.0
85.06550	17.2
91.05480	11.9
93.06487	3.2
93.07053	45.7
95.05007	14.0
95.08617	77.9
97.02908	2.7
97.06544	20.0
97.10178	48.6
99.08116	15.8
101.06039	4.1
105.07035	27.3
107.08601	36.1
109.02885	2.7
109.06527	17.5
109.10175	36.7
111.08098	21.5
111.11735	20.3
115.11248	2.8
117.07081	2.7
119.08604	21.7
121.06525	4.3
121.10154	38.7
123.04445	3.2
123.08080	8.5
123.11716	73.6
125.09637	6.4
131.08580	5.0
133.10135	15.6
135.08052	4.4
135.11702	23.8
137.09618	7.5
137.13249	12.4
139.11189	48.0
141.12769	3.1
145.10115	11.6
147.10594	3.9
147.11682	27.2
149.09583	5.5
149.13312	6.0
151.11205	7.6
153.12796	26.9
157.10258	3.2
157.12250	34.6
159.11707	11.9
161.13292	9.0
163.11153	6.5
163.14830	3.8
165.12778	11.4
169.12219	3.9
171.13791	3.4
173.11800	3.7
173.13232	3.9
175.14888	4.3
177.12737	6.9
177.16312	2.3
187.11143	2.9
187.13313	6.8
187.14832	3.7
189.11235	6.2
195.17397	4.0
201.16252	2.7
203.12790	11.0
205.15881	3.9
208.12260	2.4
223.16872	2.8
233.15453	4.3
251.16478	10.3
256.13266	2.7
257.22675	3.9
263.23782	2.3
275.23831	11.5
279.13309	3.0
280.14377	4.4
285.22104	6.4
291.23203	13.2
293.24747	4.5
303.15903	3.5
303.23209	49.5
309.24310	9.0
321.16968	2.8
321.24252	72.8
322.24554	2.6
339.25458	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	357.2635
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
55.01878	4.5
55.05513	36.8
57.07079	10.3
57.79539	2.0
59.05003	3.5
59.63090	2.1
61.29681	1.8
65.03935	2.3
67.05506	27.1
69.03416	8.8
69.07071	72.7
70.64043	4.6
71.04992	4.7
79.05487	16.3
81.07061	100.0
83.04989	11.3
83.08604	8.1
85.06543	17.2
91.05474	7.5
93.07046	35.2
95.04971	11.4
95.08611	72.0
97.06556	16.0
97.10172	59.8
99.08096	14.3
101.06010	5.7
105.07027	20.6
107.08598	36.7
109.06538	10.1
109.10172	22.7
111.08094	25.4
111.11713	20.7
115.11198	5.3
117.07019	3.5
119.08588	18.4
121.10146	39.5
123.08077	4.9
123.10831	4.2
123.11714	75.4
125.09612	3.1
131.08524	5.2
131.66722	2.0
133.10164	11.7
135.08009	3.7
135.11700	22.4
137.09630	6.6
137.13235	11.5
139.11188	49.2
141.12737	3.8
145.10106	5.1
147.11681	23.3
149.09598	4.5
149.13275	4.1
151.11176	8.3
153.12727	24.4
157.12245	40.3
159.11670	11.8
161.13229	9.6
163.11180	7.0
163.14795	2.1
165.12794	15.2
169.12262	4.5
173.13332	3.6
175.14816	4.0
177.12759	6.1
177.16376	2.0
179.14346	4.0
181.27560	2.0
183.43411	1.8
187.13264	6.4
187.14854	3.6
189.12718	2.8
195.13939	2.6
201.16428	2.6
203.12744	10.9
203.17921	2.0
205.15988	2.8
223.16942	2.9
231.51932	2.4
233.19026	2.7
237.18561	4.0
251.16447	10.9
263.23810	2.9
265.18051	5.3
275.23721	9.6
277.21457	2.4
285.22070	4.2
291.23212	18.3
303.23215	48.0
309.24243	6.9
321.24252	72.3
339.25275	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	357.2637
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
53.03962	5.7
55.05515	20.1
57.03432	4.0
57.07070	4.3
67.05512	19.7
69.03418	6.6
69.06739	2.5
69.07073	37.6
69.61298	4.9
69.61707	8.7
71.01336	2.8
71.05001	15.1
73.14828	2.0
79.05499	18.2
81.03437	3.1
81.06599	3.4
81.07064	54.2
83.04967	3.9
83.08608	7.3
85.06534	3.3
87.04418	3.0
91.05480	15.0
93.06491	4.0
93.07049	69.5
95.04977	38.2
95.08612	43.5
97.06538	14.8
97.10170	19.5
105.07026	20.2
107.08602	33.6
109.06505	8.6
109.09467	3.8
109.10157	39.1
111.08100	14.3
111.11724	8.8
117.06976	2.7
119.08590	20.1
120.01732	2.3
121.06448	4.2
121.10159	73.3
123.08075	4.6
123.11704	14.6
131.08583	5.4
133.10167	12.2
135.08113	2.8
135.11702	24.5
137.13268	5.1
137.16136	2.2
139.11177	11.9
145.10136	10.1
147.11693	24.9
149.13231	5.3
151.11160	2.4
153.12750	15.6
157.10194	2.7
157.12218	9.1
159.11702	9.9
160.10603	2.0
161.13290	11.3
163.11212	13.0
163.14838	4.6
165.12778	6.4
171.13808	8.0
173.13278	4.1
175.11104	2.5
175.14896	2.8
176.38289	2.4
177.12708	3.2
177.16486	2.5
181.12202	7.9
187.14824	3.2
221.18991	3.6
257.22662	6.8
275.23724	8.9
285.22086	3.7
291.23257	7.1
293.24844	16.1
303.23196	100.0
309.24185	4.1
313.86197	2.2
321.24301	16.0
339.25177	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	357.2998
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05519	78.3
55.66653	7.5
57.03441	11.0
57.07086	58.5
67.05519	63.6
69.07075	95.0
69.07431	11.4
69.69958	45.0
71.04993	7.2
71.08659	35.5
79.05515	43.2
81.07069	99.0
83.04930	10.1
83.08622	71.4
85.10235	12.0
93.07054	58.3
95.08613	100.0
97.06551	25.5
97.10197	39.4
107.08575	43.8
109.10166	38.2
111.08115	9.3
111.11702	11.6
121.10160	83.5
123.11716	14.1
135.11687	67.6
137.13287	8.9
139.11200	7.6
149.13283	25.2
150.07927	7.3
151.14842	13.8
163.14966	7.6
173.73932	7.3
247.24258	67.1
265.25305	82.9
283.26263	12.7
300.58911	7.0
339.28876	83.0
357.11798	10.4
357.30261	11.0
358.13235	8.6
377.24600	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	357.3001
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03948	2.1
55.01874	4.1
55.05511	62.2
57.03437	15.0
57.07077	40.2
59.04991	2.6
65.03892	1.9
67.05507	72.7
69.03416	2.2
69.07070	100.0
70.06580	4.5
71.04987	3.5
71.08634	20.2
75.04488	4.2
79.05498	43.6
81.07058	89.6
83.04987	2.3
83.08624	69.8
85.06531	7.3
85.10170	15.1
88.07616	5.7
91.05477	6.3
93.07044	50.5
95.04990	1.7
95.08609	89.2
97.06535	26.6
97.10172	44.9
99.08081	3.4
102.09177	2.2
103.03938	2.0
105.07052	3.0
106.08638	4.5
107.08591	44.4
109.10161	44.0
111.08088	11.3
111.11716	14.6
117.29653	1.8
121.10150	83.0
123.11703	18.0
125.09643	6.5
125.13296	2.4
129.05560	2.1
135.11696	61.6
137.13255	5.9
139.11197	7.1
146.54796	1.7
149.13258	25.6
151.14828	10.4
153.12721	4.4
157.12254	3.2
159.86832	1.7
163.14790	13.3
165.16406	12.4
167.14365	3.4
177.16393	9.1
178.13014	2.0
181.15797	2.0
191.17946	4.5
195.17484	3.0
199.17078	2.3
205.19615	2.8
209.19139	2.0
247.21622	1.8
247.24222	86.0
265.25275	93.1
283.26291	8.4
339.28970	73.5
357.30133	7.0
357.35510	49.3
358.36716	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	358.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.8
55.01883	3.7
55.05509	5.3
56.79670	3.9
57.03423	7.5
58.42518	3.0
62.46193	3.5
62.49542	2.8
64.90096	3.0
66.19074	3.4
67.05510	17.1
69.07076	34.3
70.60651	6.4
70.61014	6.6
71.04987	10.3
79.05508	30.1
81.03426	9.1
81.07063	28.9
83.04952	6.0
83.08604	7.2
91.05484	20.4
93.07049	22.4
95.04967	14.3
95.08614	17.5
97.06540	100.0
99.08089	6.4
105.07017	15.9
107.08603	13.6
109.06540	9.8
109.10165	9.2
115.07571	12.3
117.07026	13.8
119.08597	12.5
121.06470	6.2
121.10143	11.2
123.08129	3.4
129.07043	4.1
131.08592	21.2
133.10143	11.6
135.11716	10.0
137.09616	3.9
143.08583	3.5
145.10124	11.6
149.09616	3.9
149.13264	6.5
151.11200	4.3
157.10130	7.1
159.08072	4.2
159.11703	9.7
161.06007	9.0
161.09651	3.4
171.11766	3.3
173.13301	4.2
175.07587	4.9
177.12755	4.4
181.81905	2.8
183.11758	5.3
187.11212	3.9
195.13742	6.1
201.12823	7.1
213.16490	4.8
221.15303	3.8
231.13736	7.0
239.16771	3.3
241.15862	5.1
259.16949	21.1
268.69684	3.5
271.20889	4.3
273.18506	6.2
291.19516	4.2
299.20065	9.9
301.03232	3.7
317.21112	61.5
321.95831	3.9
358.23969	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	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98982	12.0
67.05505	38.2
69.03470	13.6
69.07062	21.0
69.64658	85.9
78.03478	13.9
79.05493	26.0
80.62828	14.5
81.03423	20.6
81.07061	39.5
90.56360	15.0
91.05501	25.5
93.07038	43.2
95.08576	15.5
97.06532	100.0
97.10188	12.7
98.21527	15.4
105.07051	30.1
107.08618	32.1
109.06561	15.8
109.10237	15.4
115.07573	27.4
119.08630	17.0
131.08560	23.4
133.10172	16.6
135.11697	18.0
137.06010	14.6
150.56554	15.4
195.13802	15.2
251.60257	12.5
259.90192	12.2
267.09497	14.4
269.10681	26.6
285.09964	21.9
291.19489	19.2
358.25656	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	358.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	27.8
69.07056	17.1
69.27750	100.0
79.05485	17.3
81.07050	38.8
83.08617	12.7
91.05499	13.0
93.07030	21.1
95.04968	12.6
97.06530	25.5
109.06505	18.4
109.10170	15.5
119.67545	12.1
121.10130	16.9
125.09680	14.1
131.08539	11.8
159.11745	15.2
241.14272	11.9
274.27032	11.7
291.19565	16.7
358.20602	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	358.368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
57.07080	5.9
58.06587	0.6
62.06093	0.3
63.47568	0.2
70.06597	11.8
70.77578	0.2
70.77901	0.3
71.08633	2.7
85.10183	1.3
88.07635	13.7
102.08562	0.3
102.09181	3.6
106.08672	8.5
137.05971	0.6
167.01921	0.2
180.18768	0.2
277.18073	0.9
296.32892	0.2
314.34036	0.9
340.35760	7.2
358.36798	100.0
359.37097	2.3
364.06369	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	359.0764
Annotation	Epiphyllic acid
Peak:m/z	Relative Intensity
55.01879	2.3
55.05518	1.1
57.82059	0.8
67.05492	1.2
69.03435	1.5
70.06605	5.1
70.45785	2.4
72.08160	7.2
79.05479	1.2
81.03428	2.4
81.07050	0.9
84.04507	1.3
84.08157	1.6
85.02898	3.1
86.09721	5.9
91.05474	4.1
95.04999	1.0
97.02892	1.2
103.05454	1.1
105.07057	2.9
107.08587	2.7
111.04482	1.8
112.07648	1.5
114.09194	4.5
115.05453	8.3
117.07093	0.9
119.04985	1.1
119.54507	0.8
123.04453	9.2
127.03062	0.8
127.03928	2.0
131.04973	2.4
131.11801	2.7
133.06517	2.1
133.10210	1.4
137.02322	4.7
137.03322	0.8
137.09560	1.1
139.03909	2.0
143.04936	4.0
147.04428	12.4
157.02879	2.5
159.04428	4.3
160.05229	2.6
161.05992	16.9
161.09695	1.1
163.03906	2.9
165.06964	3.9
175.03918	8.9
176.06184	0.9
177.05684	1.2
177.06995	5.7
181.06517	2.9
185.20468	0.9
187.03810	5.4
187.17947	0.8
193.06502	2.3
195.02975	1.1
195.08035	1.7
197.06004	1.1
197.11736	3.0
197.13176	1.1
203.03380	5.7
205.04915	3.5
205.06528	13.4
207.08003	1.0
211.07553	3.1
221.05989	55.3
222.06500	1.6
223.07549	20.6
228.13469	1.4
231.02852	1.8
233.06058	5.0
239.07045	9.1
249.05501	42.5
250.06166	1.9
251.07063	20.2
257.08145	2.1
261.05533	1.1
266.05737	3.4
267.06531	27.5
268.07385	1.7
269.08139	7.6
277.04984	19.3
278.05579	1.1
279.06512	8.4
285.07553	6.8
295.06033	100.0
296.06293	1.3
297.07578	6.1
313.07098	16.9
315.22815	1.6
341.06537	9.9
345.49490	0.9
359.16827	1.0
359.21158	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05506	1.5
65.03945	0.7
65.25295	0.6
67.05496	0.7
69.03432	0.9
70.06599	4.4
72.04488	0.6
72.08163	6.8
79.05508	0.8
79.74281	0.5
81.03389	1.0
81.07050	0.6
82.84512	0.6
84.04506	1.2
84.08150	0.9
85.02905	2.5
86.09717	3.9
86.69838	0.6
91.05479	5.6
95.04931	1.1
97.02882	0.8
103.05457	1.7
105.03386	1.0
105.07040	2.0
107.04929	1.1
107.08594	1.5
109.02845	1.1
111.04465	2.3
112.07626	2.0
112.45842	0.6
114.05505	0.6
114.09165	3.6
115.05457	9.6
119.04970	1.5
123.04445	8.2
127.03904	1.1
131.04945	3.1
131.11783	2.9
133.06482	3.3
133.10138	1.0
135.04430	1.4
137.02342	4.2
137.03372	1.1
139.03943	0.8
143.04942	3.2
143.11826	0.8
147.04408	15.5
147.05527	1.0
148.04697	1.3
152.06160	0.9
157.02887	1.6
159.04396	4.2
160.05200	2.3
161.05986	18.1
163.03923	2.9
165.07019	2.4
167.08568	1.0
175.03928	8.7
176.06081	0.7
177.05592	0.9
177.06992	7.2
181.06438	2.9
187.03772	5.0
189.12286	0.6
193.06508	3.0
195.02879	0.9
195.08040	2.4
197.06013	1.1
197.11629	1.8
197.13023	1.9
197.38702	0.6
198.03555	0.7
203.03392	4.7
203.04855	0.5
204.12213	0.6
205.04926	3.5
205.06528	13.9
209.05907	0.7
211.07578	2.5
215.13960	0.7
221.05989	53.2
222.06361	1.0
223.07562	21.7
225.05479	0.9
226.06303	0.8
227.07124	0.9
228.13513	1.4
231.02896	2.5
233.05959	7.3
234.06721	1.8
237.05342	0.7
238.18057	0.7
239.07063	7.8
249.05478	43.2
250.06178	1.6
251.07053	18.0
256.19156	0.7
257.08078	2.3
266.05762	2.8
267.06549	26.8
268.07214	2.2
269.08096	7.8
277.04974	18.1
279.06528	8.0
285.07620	7.4
295.06027	100.0
296.06427	1.8
297.07544	7.9
299.05698	0.6
313.07101	19.0
313.10724	1.3
315.22845	1.7
323.05206	1.0
341.06531	9.7
341.24344	0.9
344.91116	0.7
359.07559	1.4
359.12442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1702
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03936	0.6
55.01868	0.6
55.05508	0.6
57.03451	0.9
59.04985	0.6
61.02919	0.9
63.94137	0.3
65.03938	0.5
67.05507	0.8
69.03440	2.8
69.07056	0.7
70.02975	0.4
70.06589	1.0
71.04984	0.5
71.51977	0.4
72.08153	0.5
73.02888	0.4
77.03910	0.3
79.05492	1.3
79.11667	0.3
79.89779	0.4
80.06242	0.4
81.03399	1.6
81.07053	1.4
83.05011	0.5
84.04473	0.4
85.02911	7.8
85.06504	0.4
86.09714	4.4
87.04491	0.5
91.03923	0.5
91.05479	3.6
93.07050	5.5
94.36201	0.3
95.04971	1.4
95.08592	0.8
97.02919	2.0
99.04428	0.4
105.07035	5.6
107.04955	0.4
107.08600	16.7
109.02870	1.0
109.06495	0.9
109.10149	1.6
114.09147	0.7
117.07008	0.5
119.08609	2.4
121.06500	1.6
123.04373	0.5
123.11691	0.8
127.03896	2.2
129.10197	0.4
131.11807	1.2
133.10138	18.4
135.11702	19.0
137.05978	0.8
137.09615	1.5
141.10074	0.4
143.08617	0.5
145.02798	0.4
145.04955	2.1
146.07289	0.5
151.11151	1.7
161.09624	10.0
163.03940	1.2
166.28069	0.4
179.10681	33.8
180.11041	0.5
187.03902	0.5
197.11740	100.0
198.12077	1.0
200.13957	1.2
212.13684	0.5
228.13443	1.0
229.11797	0.5
240.44470	0.4
295.06235	0.6
359.12558	0.4
359.16464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
61.02925	1.3
69.03430	1.7
70.75877	1.6
79.05513	0.9
81.03413	0.8
81.07055	1.8
85.02906	9.1
86.09688	1.6
87.04477	1.0
91.05481	3.0
93.07051	4.7
95.08646	1.2
97.02880	1.9
97.06567	0.9
105.07039	5.6
107.07882	1.4
107.08601	26.5
109.10120	1.8
119.08585	3.5
121.10148	4.6
122.87775	0.7
123.11765	0.8
127.03945	1.7
133.10136	16.1
139.07600	1.1
139.92094	0.7
145.04962	1.9
149.09645	2.8
151.11194	6.4
161.09659	5.0
167.10684	12.3
179.10698	13.0
197.11740	100.0
201.12325	2.1
310.07205	0.7
334.46365	0.7
359.14755	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.01871	2.5
55.05515	24.4
57.03445	2.6
57.07074	5.9
59.05001	2.2
67.05511	28.7
69.03433	5.6
69.07075	39.4
69.26880	10.8
71.05000	4.8
71.08642	1.7
73.06584	1.4
79.05493	16.1
81.03400	2.3
81.07063	100.0
83.04999	3.4
83.08617	9.6
85.02903	4.3
85.06550	13.2
91.05501	9.1
92.24841	1.3
93.06481	2.5
93.07054	38.8
93.07640	2.1
95.04990	3.5
95.08615	80.0
96.69524	1.5
97.06536	8.6
97.10179	20.7
99.08096	5.7
105.07030	11.4
107.04963	1.6
107.08605	37.9
109.02881	2.9
109.06505	3.1
109.09479	2.1
109.10165	26.3
111.08090	18.1
111.11725	11.9
117.07010	1.5
119.08574	10.1
121.10146	25.3
121.10932	2.1
123.08086	2.6
123.11714	64.7
125.09644	4.4
127.03930	3.0
131.08611	2.6
133.10167	8.4
135.11705	14.4
137.09642	2.1
137.13258	17.0
139.11194	16.8
141.12752	3.8
143.10663	2.1
145.04977	2.0
145.10143	3.4
147.11703	3.8
149.13264	43.3
151.03915	3.6
151.11171	3.8
151.14917	1.7
153.12767	6.6
155.14326	6.5
157.10150	2.0
157.12259	14.3
159.11729	3.9
161.13300	4.3
163.03944	5.5
163.14844	9.6
165.12820	1.9
167.14383	2.2
169.10187	1.5
169.12218	7.5
171.11716	1.8
171.13846	2.5
173.13263	1.5
175.14813	3.1
177.12817	1.8
187.13332	17.0
187.14853	2.4
189.16367	1.9
203.12827	4.0
209.15443	3.3
223.16930	1.8
227.17889	1.7
237.18535	2.6
249.18666	3.2
259.24255	1.7
267.09073	3.0
269.22610	2.3
275.23657	1.9
277.25363	5.5
285.10245	2.3
287.23697	3.8
293.24762	9.7
305.24786	41.0
306.25250	1.7
317.12497	1.4
323.25830	16.2
359.15451	2.0
359.23230	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	359.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28193	5.5
55.05524	30.8
57.07075	10.2
58.87675	6.0
59.19794	5.2
60.26650	5.1
62.20258	5.7
62.41921	6.0
67.05500	40.9
69.07076	45.6
70.77181	15.8
71.04986	17.7
71.08631	6.4
72.54577	7.0
79.05492	36.3
81.07066	100.0
83.04960	7.9
83.08606	15.8
91.05476	21.3
93.07059	80.2
95.04942	10.4
95.08623	95.4
97.06531	18.7
97.10167	11.3
105.07034	33.5
107.08596	58.4
109.10159	45.7
111.08108	8.6
111.11739	8.3
114.90984	5.9
119.08561	22.6
121.10156	46.7
123.08052	8.0
123.11724	53.1
131.08533	6.6
133.10161	34.2
135.11700	45.2
137.13254	9.6
139.11232	8.1
145.10236	7.4
147.11705	18.1
149.13287	52.6
154.43645	7.5
159.11711	9.7
161.13242	16.6
163.14803	18.8
173.11748	9.4
173.13203	6.3
177.16451	12.6
189.16464	7.6
259.24203	9.3
275.20004	6.8
277.25436	13.9
293.24771	15.1
305.24722	39.9
341.60764	7.2
359.18344	6.9
359.22278	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	359.2794
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.03943	7.4
55.05519	38.2
57.07073	4.5
64.23818	5.6
66.44198	5.1
67.05510	39.9
69.07063	43.5
69.34767	9.2
69.35174	37.0
71.04968	9.0
79.05508	39.9
81.07066	100.0
83.08620	21.1
91.05477	22.2
93.07048	90.9
95.04960	6.8
95.08614	91.7
97.06520	20.8
97.10159	21.2
105.07036	43.1
107.07893	6.7
107.08599	80.1
109.06531	10.2
109.10169	58.7
111.08068	11.2
111.11737	12.1
117.06957	6.1
119.08578	32.0
121.10163	47.0
123.08088	5.6
123.11729	32.7
125.09706	5.3
127.72624	4.9
131.08553	9.9
133.10179	26.5
135.11688	43.8
137.13281	8.7
145.10088	8.0
147.11710	28.2
149.13263	72.7
151.11142	6.1
159.11723	7.3
161.13271	15.9
163.14809	10.1
165.12784	5.0
170.38121	4.7
175.14734	11.7
177.16409	11.4
189.16292	4.9
206.93723	5.7
259.24158	11.0
275.23611	6.4
277.25204	15.1
287.23584	8.5
293.24573	8.2
305.24747	40.5
323.25854	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	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05511	21.0
57.03424	2.4
57.07060	6.6
59.05023	2.6
67.05187	1.8
67.05509	26.9
69.03419	5.9
69.07066	37.7
70.06567	1.9
70.34849	5.4
71.04981	2.7
71.08612	2.3
77.61538	1.7
79.05508	14.0
81.03405	3.4
81.07057	100.0
83.04960	2.1
83.08620	12.1
85.02897	2.9
85.06532	12.0
85.86775	2.1
91.05464	6.8
93.07044	40.8
95.04951	2.9
95.08613	74.0
97.02839	1.7
97.06557	10.2
97.10161	23.5
99.08073	2.6
105.07030	11.7
107.08601	38.8
109.02860	3.7
109.06487	2.5
109.10160	26.9
111.08090	17.3
111.11752	8.5
115.07545	2.0
119.08580	8.8
121.10139	26.2
123.08046	2.6
123.11700	63.8
125.09639	2.6
127.03864	3.1
131.08542	2.5
133.10098	4.9
135.11697	12.4
137.09590	1.8
137.13246	20.8
139.11182	14.3
141.12741	4.0
145.04906	2.0
145.10129	4.9
147.11690	7.2
149.13263	41.3
151.03882	3.8
153.12724	5.3
155.14305	5.3
157.12239	14.7
159.11639	1.7
161.13214	5.0
163.03914	2.5
163.11172	2.0
163.14799	7.0
169.12199	6.2
171.13773	2.3
175.14850	2.6
177.16409	2.1
187.13281	15.2
188.96056	1.8
189.16423	2.9
193.15932	2.2
197.10901	1.7
203.12689	3.3
235.20563	2.8
249.18442	3.3
267.09082	6.5
277.25162	4.1
285.10150	2.4
287.23605	3.5
293.24796	10.3
305.24741	43.8
317.12650	2.7
323.25806	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	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68602	2.9
53.03959	2.5
55.01857	2.6
55.05260	4.6
55.05510	28.4
57.07071	6.9
59.80731	2.8
60.06115	2.6
67.05506	25.1
68.23487	2.6
68.72164	2.9
69.03455	6.7
69.07076	44.8
70.96146	5.3
71.05013	4.1
79.05485	13.0
79.63393	2.8
81.03436	4.7
81.07062	100.0
82.26663	2.8
83.08625	10.0
85.02899	6.0
85.06561	13.8
85.23678	2.7
86.09700	4.3
91.05484	12.9
93.07052	43.7
95.04945	3.1
95.08615	74.3
97.06528	9.7
97.10171	22.8
99.08076	5.8
105.07035	12.4
105.92208	2.8
107.08611	47.0
109.02902	7.6
109.06559	6.2
109.10170	32.0
111.08083	20.3
111.11726	12.2
115.27082	2.7
119.08583	12.1
121.10152	27.0
121.80650	2.5
122.85892	3.0
123.11713	67.7
127.03954	5.1
133.10100	9.4
135.11673	14.5
137.13271	16.6
139.11188	13.1
145.04961	6.6
147.11693	10.5
149.13258	44.2
153.12750	8.7
155.14351	7.5
157.12212	15.2
159.11703	5.6
161.13266	3.8
163.03958	3.1
163.14874	8.1
167.14346	4.7
169.12259	8.5
172.00546	2.8
187.13365	13.4
196.18381	2.9
203.72650	2.7
208.19627	2.7
217.19484	3.2
228.17311	3.1
233.26047	3.2
235.20569	3.5
271.01849	3.8
277.25378	3.2
279.77954	2.9
287.23724	5.1
293.24756	11.3
305.24780	38.6
323.25839	17.4
359.13925	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69086	0.7
53.03928	2.6
55.01864	2.0
55.05512	19.2
55.85181	0.7
57.03437	2.1
57.07087	4.6
59.05001	1.7
65.03938	1.0
67.05510	26.5
69.03421	3.3
69.07071	42.4
69.80499	3.2
71.04998	3.8
71.08614	1.7
72.64597	0.7
73.06552	1.0
79.05066	1.3
79.05493	16.9
81.03436	1.1
81.07059	100.0
82.07349	1.1
82.89795	0.8
83.04986	3.0
83.08625	11.8
84.56687	0.8
85.02904	1.9
85.06541	9.0
89.06022	1.2
91.05476	8.9
93.07048	40.4
95.04956	3.0
95.08611	73.0
97.02874	1.1
97.06524	9.2
97.10177	22.4
99.04449	1.6
99.08092	4.1
103.71016	0.9
105.07033	10.1
107.08601	41.8
109.02849	1.7
109.06496	2.9
109.10165	26.0
111.08086	17.6
111.11726	8.4
113.09673	0.8
115.07607	1.0
117.07001	1.1
119.04907	0.8
119.08581	9.6
121.10152	25.6
123.08060	2.5
123.11713	60.6
125.09647	4.4
127.03924	1.7
127.11150	0.9
131.08582	1.9
133.10129	8.0
135.11691	15.8
137.09601	1.5
137.13264	20.1
139.11195	15.6
141.12753	3.8
142.07817	1.0
143.08574	1.7
143.10658	2.6
145.10130	2.6
147.11690	5.9
149.13264	45.1
151.11180	2.3
151.14822	1.2
153.12753	6.9
155.14349	4.6
157.10165	1.7
157.12244	13.7
159.11705	2.8
161.13235	4.7
163.03879	1.3
163.11197	1.3
163.14801	7.9
165.12750	2.4
165.16356	1.0
167.14313	2.3
169.12285	5.0
171.13820	2.9
173.13271	2.3
175.14766	2.2
177.12741	1.4
177.16435	1.4
179.14328	1.8
181.12222	1.1
185.13254	0.9
187.13290	16.2
187.14861	0.7
189.16396	2.9
191.14319	1.1
193.15936	1.0
195.13786	2.1
199.14899	1.3
203.12772	2.6
203.18005	1.2
205.19569	0.8
207.17439	1.9
209.15329	2.2
213.16414	1.5
217.19496	1.7
223.17007	1.8
231.17548	1.6
231.94186	0.9
233.18875	1.0
235.16904	1.2
237.18530	1.8
249.18486	3.5
253.21663	1.3
257.22742	0.9
259.24167	1.9
269.22610	1.5
275.23746	2.4
277.25189	4.5
287.23682	3.4
293.24695	11.3
305.24753	45.5
311.25793	1.6
323.25812	13.6
359.15106	1.4
359.88071	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2794
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
55.05497	28.4
57.07092	11.8
60.97585	7.6
67.05507	46.2
69.03403	14.2
69.07082	39.8
69.07391	8.4
70.06606	11.4
71.52808	9.3
72.08138	10.6
77.78173	7.8
79.05469	36.2
81.07062	100.0
83.04971	12.1
83.08617	15.3
84.08164	9.5
85.02142	8.7
85.02914	19.0
91.05482	27.0
93.07058	66.9
95.04951	13.8
95.08627	78.5
97.06534	53.4
97.10136	13.5
102.05544	14.6
105.07016	36.8
107.08605	57.9
109.06504	21.4
109.10127	47.4
111.08105	13.0
111.11673	11.5
119.08567	26.7
121.10145	40.3
123.08096	16.7
123.11704	27.0
125.09571	10.9
125.18204	8.9
127.03903	9.0
133.10098	28.6
135.11707	24.7
137.13243	11.4
145.10155	14.9
147.11668	27.1
148.06073	19.0
149.09608	9.2
149.13271	53.0
157.10172	10.0
159.11696	15.0
161.13269	15.6
163.03931	21.0
163.11205	10.8
163.14836	13.1
167.08496	7.9
177.16359	14.4
189.16501	8.5
206.37445	8.3
212.88113	8.5
259.24347	10.8
273.01584	10.2
305.24817	51.7
305.27927	8.1
325.10141	8.4
359.22229	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	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05014	1.4
55.01881	10.1
57.03432	9.9
61.02929	2.8
69.03436	30.7
69.50266	10.9
71.04996	3.0
73.02916	4.1
81.03391	4.8
85.02908	100.0
88.69243	1.5
97.02895	36.1
99.04464	7.6
101.02387	5.7
109.02856	5.8
115.03963	3.8
127.03922	76.8
128.51842	1.6
145.04968	67.8
146.33989	1.4
152.15926	1.7
163.03952	2.7
163.06024	18.2
166.47581	1.4
180.08675	5.3
183.80948	1.8
275.05920	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	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01880	10.6
55.63911	1.5
57.03436	7.8
61.02933	5.7
69.03429	36.2
70.24059	2.9
70.24439	2.8
73.02916	6.3
81.03413	5.6
85.02911	100.0
95.74159	1.9
97.02903	36.7
99.04461	8.5
101.02401	8.3
109.02885	6.3
115.03938	4.7
127.03927	84.9
145.04974	72.2
163.06042	18.4
180.08705	5.6
198.09753	1.6
207.98450	1.9
259.61588	1.5
287.91302	1.6
289.21109	1.7
337.70697	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2129
Annotation	Glu-Ile-Val
Peak:m/z	Relative Intensity
50.58875	1.0
51.20780	1.0
53.03942	1.4
55.01863	4.2
55.05516	6.8
56.05042	6.3
57.03423	2.0
57.05818	1.2
61.02915	1.3
61.18997	1.0
67.05494	2.7
69.01938	0.9
69.03143	0.9
69.03437	11.5
69.07062	3.7
70.06587	4.4
71.02655	1.1
71.02991	1.9
71.38338	1.1
72.08163	98.0
73.02906	1.9
76.04005	4.6
79.05489	3.2
79.47736	1.0
81.03432	14.7
81.07038	2.4
83.08625	4.4
84.04512	43.5
84.08139	1.5
85.02913	34.2
86.09714	100.0
87.04465	1.9
88.04030	1.1
91.05482	2.6
95.04964	4.6
95.08612	1.2
97.02898	11.8
99.04444	3.7
101.02385	2.1
101.75005	1.0
102.05553	28.8
105.07016	1.9
109.02880	2.7
111.04440	1.2
111.08103	1.5
115.03877	1.3
116.07087	1.8
116.19600	1.0
118.08662	16.5
119.04975	1.2
119.08586	2.1
123.04491	1.0
127.03938	25.9
129.06686	2.0
130.05026	1.0
131.08611	1.7
132.10213	56.6
133.10243	1.5
135.04453	1.6
135.08116	2.1
138.09143	14.8
141.06577	1.2
142.08659	1.3
145.04977	22.1
147.04425	3.6
147.11710	1.6
149.09654	1.3
150.12778	1.7
155.11800	3.8
156.10231	9.9
157.10062	2.4
163.03941	4.9
163.06033	6.2
170.11687	1.6
175.11214	1.6
180.08694	2.2
181.08574	2.2
183.11307	42.2
184.09714	1.2
185.16539	5.9
186.11353	1.2
193.12265	14.6
196.13316	3.0
197.12903	7.1
201.12360	44.4
211.10809	14.8
211.13152	1.7
213.15991	2.4
215.13937	14.6
222.06256	2.5
225.12366	3.1
229.11864	19.2
231.17053	3.5
240.15739	1.3
243.13437	10.5
267.15869	8.3
268.06976	1.4
285.17044	8.4
296.06302	3.7
302.48956	1.0
316.17715	1.3
324.18979	1.6
342.19717	4.7
360.20154	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	360.2129
Annotation	Asp Leu Leu
Peak:m/z	Relative Intensity
69.03436	2.1
69.07066	1.8
70.02951	2.0
71.26912	1.4
73.02931	3.6
74.17197	0.7
85.02908	5.3
85.04053	1.4
86.09711	77.9
88.04001	8.5
91.05524	0.6
96.08148	2.5
97.02900	2.5
98.02422	3.6
100.03999	4.9
101.02327	0.7
106.34980	0.6
109.02877	0.7
110.02413	0.8
110.09724	0.7
113.10783	2.4
115.04993	0.6
119.08649	0.6
127.03924	4.3
132.10220	8.8
138.09143	4.8
141.10219	11.8
142.08638	0.9
145.04974	4.0
155.11826	1.0
156.10214	11.4
163.06000	0.8
163.07512	0.6
166.08621	1.0
177.87187	0.6
183.11357	6.1
184.09703	3.6
193.12128	0.6
201.12355	100.0
211.13226	1.3
229.11844	28.2
245.18553	1.3
252.19669	1.5
270.20532	2.8
296.19711	1.3
313.42355	0.6
316.21149	2.5
342.19666	0.8
360.21353	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01863	5.4
55.05501	8.2
56.05053	3.6
57.03426	8.3
67.05506	13.3
69.03431	16.0
69.07065	8.4
69.35709	15.1
70.06588	5.2
71.04987	4.5
71.08633	2.7
72.08139	2.8
73.02917	3.0
79.05497	14.9
81.02988	2.7
81.03428	38.3
81.07069	17.3
82.06567	3.1
83.04980	14.6
83.07020	2.1
83.08617	15.6
84.04494	5.2
84.08131	2.3
85.02917	40.8
85.03431	2.7
86.06043	4.2
86.09710	94.8
87.04446	3.6
87.10016	1.9
91.05476	17.9
93.07030	10.6
95.04982	13.3
95.08596	7.0
97.02888	15.0
97.06516	4.0
97.10185	3.1
97.92188	1.7
98.06066	6.9
98.21473	3.8
98.97598	2.3
99.04450	3.5
100.07587	2.1
101.02357	2.4
105.07041	10.4
107.04976	4.2
107.08585	8.4
109.02888	3.7
109.06522	3.8
109.10149	6.5
111.04453	2.6
111.08054	7.3
112.11252	2.3
115.03925	2.3
115.05444	2.2
117.03387	2.7
119.08615	11.8
121.10140	7.8
123.08073	2.8
125.09594	3.2
127.03928	32.3
129.06972	6.2
131.08548	6.9
132.10210	100.0
133.10143	5.6
135.04388	3.8
135.11629	2.0
145.02872	3.2
145.04964	30.8
147.08084	2.7
147.11693	6.8
149.09610	7.3
150.12773	2.1
157.10150	8.8
161.22659	1.9
163.03911	21.0
163.06026	6.7
164.04224	10.9
175.11209	11.5
180.06615	3.4
193.10463	2.2
193.12259	40.3
196.13348	2.8
201.12331	1.9
210.14937	3.6
211.13298	99.2
252.19606	30.4
268.22794	2.9
270.20645	31.1
271.08331	3.0
278.21124	3.3
280.19028	3.6
296.22250	14.9
298.20212	15.2
314.23361	8.8
316.21249	12.2
324.21567	5.0
342.22784	28.2
360.14035	2.5
360.20145	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61713	3.9
53.03927	5.3
55.01867	16.8
55.05511	32.9
56.96570	6.0
57.03435	32.1
60.84918	4.2
64.32630	4.1
64.57990	4.2
65.03941	5.3
67.05505	39.7
68.34665	4.3
69.03423	20.7
69.07064	29.5
69.44280	22.3
69.44691	10.7
70.06651	3.8
71.04988	19.7
73.02910	3.7
79.05493	42.3
81.03417	54.7
81.07058	55.1
82.07373	11.4
83.04996	11.4
83.08623	11.5
85.02907	59.0
85.06525	6.6
91.05477	44.3
93.07043	39.2
95.04973	52.3
95.08604	41.4
96.08964	6.1
97.02880	28.8
97.06543	31.6
97.10186	14.9
98.21484	8.6
99.04458	9.7
105.07023	23.6
107.04963	100.0
107.08607	30.6
109.02902	8.8
109.06523	83.5
109.10183	19.8
111.08057	8.3
113.06013	10.3
115.07588	8.8
117.07030	8.2
119.04951	5.3
119.08563	23.8
121.06518	35.0
121.10149	12.7
123.08049	18.6
123.11689	10.7
124.12036	9.7
125.09643	16.3
127.03922	41.4
129.06990	12.5
131.08617	12.3
133.06512	8.5
133.10133	10.4
135.08067	16.0
135.11722	6.8
137.09634	12.2
145.04988	31.6
145.05968	5.0
145.10136	6.4
147.08031	8.2
147.11694	8.8
149.09612	7.3
149.13298	8.1
153.09125	7.5
157.10147	11.4
159.08055	17.4
161.09659	6.2
163.05988	5.2
165.09146	27.1
171.10234	7.3
171.11676	6.2
175.11186	17.5
187.13272	9.1
188.13631	6.0
189.11241	9.3
189.12747	5.8
191.10670	9.6
199.11337	5.6
211.13243	8.1
214.35672	5.1
215.14415	5.8
217.12283	14.5
219.13902	6.5
233.15331	10.4
235.13278	76.4
253.16005	5.1
271.16901	9.9
277.98944	4.5
289.18021	44.0
307.19061	9.5
320.15573	5.8
360.25470	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.8
55.05506	29.8
57.03430	3.5
59.04993	4.9
59.22131	3.1
63.12993	3.2
66.58409	3.0
67.05510	100.0
69.03443	3.7
69.07079	23.2
70.77394	6.4
71.04980	4.9
79.05500	24.8
81.07061	31.2
83.08620	22.1
85.02933	3.9
91.05492	18.9
93.07040	25.3
95.08619	26.4
95.14156	3.8
97.06518	10.0
97.10181	25.5
105.07002	13.1
107.08589	51.8
109.06490	4.5
109.10164	84.5
111.08060	9.4
119.08591	18.7
121.10136	7.9
123.08049	4.0
125.09648	29.2
130.18738	3.8
131.08537	6.1
133.10081	9.4
135.08029	9.5
135.11707	4.3
137.09586	6.5
145.05011	4.6
145.10121	10.4
147.11720	8.4
149.09691	4.8
149.13309	4.1
153.09056	9.5
155.10661	44.8
159.11728	5.3
162.26239	3.1
163.11250	5.6
171.11703	3.7
173.11765	92.7
173.13197	5.5
187.13306	92.1
187.14970	4.5
195.13805	10.0
203.12799	36.6
227.16356	3.4
235.13945	3.2
239.18016	6.5
257.19012	10.5
258.22546	3.3
275.20090	43.5
289.21579	14.0
307.22650	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	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.6
55.05515	40.9
56.96547	4.3
57.03434	5.3
59.04159	3.3
67.05183	5.0
67.05509	68.8
69.03407	8.7
69.07073	48.3
69.69783	20.7
71.05002	100.0
73.06563	8.6
79.05496	64.5
81.07068	73.7
83.04970	9.8
83.08624	21.7
85.02896	14.2
91.05482	23.8
93.07053	63.8
95.04984	5.4
95.08620	44.7
97.02894	3.9
97.06535	17.0
97.10200	24.7
98.21513	4.9
99.08123	6.2
105.07045	27.1
107.04922	9.9
107.08609	51.7
109.06516	7.6
109.10146	31.7
111.08070	7.7
115.07592	4.5
117.07014	6.6
119.08609	20.8
121.06472	4.8
121.10155	53.4
123.08129	4.8
123.11720	8.6
125.09628	24.2
127.03919	11.8
129.07043	5.9
129.93365	3.6
131.08569	12.6
133.10133	21.8
135.08089	5.3
135.11642	16.8
137.09665	5.4
138.11900	4.0
145.04942	14.4
145.10158	11.7
147.11682	10.3
149.09634	13.0
149.13263	4.9
153.12785	26.2
155.10689	10.2
155.31149	4.4
159.11705	13.6
161.13264	9.5
163.11142	6.5
173.11754	57.7
177.12721	11.0
189.11250	24.2
189.12672	4.7
193.12213	4.8
195.13792	14.6
209.15302	4.6
211.13274	4.7
213.14853	4.8
217.15968	4.1
227.16438	57.1
229.19595	3.9
235.17027	13.8
257.19019	9.6
267.19720	5.3
275.20050	75.2
293.21204	6.0
307.22711	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	361.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	27.1
65.37362	6.9
67.05525	38.2
68.36552	9.4
69.07081	40.1
79.05499	25.3
81.07059	92.4
83.08626	21.4
85.02923	8.8
85.06543	11.9
88.78398	7.7
91.05496	13.8
93.07040	26.9
95.08620	100.0
97.06543	89.6
97.10159	16.0
98.21533	17.4
101.49529	7.6
105.07040	13.8
107.08593	21.0
109.10176	47.1
110.99151	9.1
111.11755	9.9
119.08591	12.6
121.10156	21.7
123.08055	9.6
123.11732	28.1
137.13229	10.8
147.65450	7.7
151.14851	13.4
161.05885	9.0
163.14943	9.6
166.07379	7.9
199.07536	13.8
215.20911	9.0
241.12198	17.8
256.35760	8.1
265.04892	11.3
273.13702	7.6
307.26184	23.9
361.10944	14.0
361.16122	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.2
57.03437	15.0
67.05505	53.5
69.03424	7.8
69.07079	59.3
69.69534	38.9
71.04999	13.6
79.05489	45.3
81.03414	26.5
81.07069	54.8
83.04976	25.3
83.08626	11.6
85.02884	7.5
91.05486	26.9
93.07048	46.1
95.04981	11.7
95.08616	21.7
97.06540	38.0
97.10168	12.0
98.97551	11.0
105.07016	22.4
107.04937	11.6
107.08598	27.1
109.06499	18.3
109.10123	16.2
113.06017	8.0
117.07055	10.4
119.08579	22.5
121.06503	7.6
121.10165	17.8
123.08073	12.5
125.09625	11.9
127.07533	8.2
131.08611	21.1
132.95869	8.8
133.10065	10.7
135.08061	10.9
137.09630	19.6
145.10114	22.5
147.11688	15.1
149.13283	8.4
159.11728	12.9
164.21455	6.6
173.11804	11.8
174.96919	13.1
176.07120	10.9
189.11232	18.4
190.08717	16.7
195.13872	8.8
204.06593	21.4
213.14813	11.4
215.10606	11.2
223.13290	16.0
240.50717	8.4
247.58304	6.9
273.18533	19.2
291.19571	43.9
302.17496	16.5
309.20651	16.4
341.14267	14.2
344.18875	34.3
362.15866	11.1
362.19656	100.0
362.23395	11.8
362.27017	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	362.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.0
57.07066	4.5
62.06080	11.5
67.05508	13.0
69.07066	8.7
70.06596	12.9
70.64550	10.4
79.05493	13.8
81.07066	18.7
83.08637	8.0
88.03977	4.3
88.07622	10.7
90.42902	3.6
91.05490	7.0
93.07050	12.9
95.08603	14.4
97.06539	13.1
97.10156	6.5
105.07021	12.1
107.08583	10.2
109.10177	9.4
114.09192	7.7
117.07024	4.3
119.08573	20.0
121.10148	16.8
123.11716	6.2
131.08562	9.4
132.10210	21.8
133.10158	9.0
139.11215	7.7
143.08565	6.2
145.10121	15.6
147.11694	14.3
157.10172	9.1
159.11684	6.7
159.82036	3.8
161.13417	3.9
163.11191	5.5
165.12682	3.8
171.11720	8.5
171.23822	3.3
173.13278	6.6
176.12856	3.8
177.12796	4.4
185.13264	7.8
203.17992	6.5
215.17986	5.5
227.17982	9.7
229.15730	3.5
243.20976	4.8
245.19113	6.7
255.21077	3.9
256.26340	6.3
267.21078	4.1
273.22385	4.5
274.27502	4.6
285.22241	14.7
303.23303	9.0
311.77444	4.9
321.24280	53.3
362.27008	17.3
362.32642	100.0
363.21768	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	362.3264
Annotation	CHEBI:131749
Peak:m/z	Relative Intensity
55.05515	0.8
56.05040	4.4
57.07082	3.2
58.06602	5.5
60.04528	1.8
67.05492	0.6
69.03417	0.5
69.07057	0.6
70.06584	1.3
71.08639	1.8
72.08150	2.8
74.06083	4.4
75.04473	0.4
81.07053	0.6
81.26554	0.3
85.10173	0.6
86.06074	5.1
87.04445	0.5
88.07635	30.1
94.04632	0.3
95.08638	0.6
98.20700	0.5
100.07615	1.1
102.09216	0.7
104.07095	2.6
109.77082	0.4
115.91771	0.3
118.08649	0.9
119.28427	0.4
132.10208	7.7
162.11243	2.4
166.10736	2.3
231.90137	0.4
256.26324	0.9
270.27924	25.9
282.27899	1.0
300.28934	0.8
314.30530	9.3
344.31638	1.4
362.32645	100.0
363.32941	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	362.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67706	0.3
57.07085	4.5
57.15840	0.3
58.06607	1.6
60.49104	0.3
68.05029	0.4
69.07065	0.4
69.28139	3.2
70.06597	16.4
71.08647	2.2
72.08143	1.4
76.14700	0.4
78.52531	0.3
84.08135	1.4
85.10170	0.8
86.09716	2.3
88.07636	6.8
88.19347	0.4
89.06049	0.5
98.21507	0.8
102.09187	4.3
102.18725	0.4
108.69547	0.4
114.09214	0.6
132.10207	6.8
143.97806	0.3
146.11763	6.8
212.23775	2.5
238.25320	1.3
256.26367	16.9
287.12161	0.3
300.28979	35.2
301.29361	0.5
331.26282	0.4
344.31720	1.3
362.32648	100.0
363.33066	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01873	1.2
57.03431	2.6
57.07078	3.2
61.02924	1.6
67.05504	0.8
69.03432	17.2
69.16479	6.0
69.44540	0.5
71.05000	6.4
81.03425	27.1
85.02911	55.2
95.04958	0.8
95.08618	1.0
97.02897	4.9
99.04460	26.4
103.03948	53.4
109.02891	23.7
109.03465	0.4
122.49346	0.6
123.08052	0.7
127.03925	100.0
136.06190	0.9
145.04982	11.2
149.13382	0.7
163.05988	0.8
183.10172	0.6
187.06012	9.3
253.07050	4.2
261.13300	0.8
271.08206	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	363.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.6
55.01874	1.1
55.05516	1.0
57.03453	3.2
57.07072	0.8
61.02935	1.0
69.03432	15.9
69.75518	3.2
71.04993	5.1
73.02923	0.8
81.03426	28.7
81.07054	0.6
85.02911	55.1
87.41982	0.6
91.05471	0.8
97.02911	6.0
99.04465	30.0
99.05122	1.5
103.03952	56.9
105.23336	0.7
109.02893	24.2
109.06537	1.5
127.03928	100.0
136.06213	1.5
137.05969	1.5
145.04976	13.8
163.06044	1.7
167.07080	1.7
187.06056	9.4
197.08142	0.8
226.38319	0.7
253.07124	3.8
261.13370	0.9
271.08151	2.8
363.18274	5.2
364.19623	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
53.08321	0.6
55.01869	4.8
55.05512	24.6
57.03440	7.6
57.07063	1.0
58.37382	0.8
59.04992	0.9
67.05509	14.5
69.03425	1.4
69.07070	5.0
69.26151	4.6
69.26566	1.8
71.04980	0.8
78.88417	0.7
79.05496	19.3
81.03395	1.4
81.07055	12.4
83.04975	3.4
83.08616	10.9
85.06513	0.8
91.05481	13.5
93.07042	8.0
95.04954	2.5
95.08605	3.0
97.06522	2.1
97.10174	19.9
98.20716	1.6
103.05502	1.2
104.06223	1.2
105.07021	4.5
107.04961	1.1
107.08598	12.1
107.42192	0.6
109.06507	1.7
109.10162	5.4
111.08083	3.2
115.05429	1.8
117.07023	10.3
119.04970	1.5
119.08588	100.0
121.10155	3.8
123.08057	1.4
125.09637	18.3
128.06152	1.0
129.05542	1.1
129.07039	4.5
131.08563	4.1
133.06483	4.1
133.10123	3.3
135.08055	13.0
137.09616	2.2
141.06996	1.4
143.08563	3.3
144.05685	1.8
145.06476	1.8
145.10132	7.2
147.08043	8.2
147.11690	0.9
149.09669	1.7
153.09129	2.6
155.08543	1.6
157.10130	9.1
159.08063	52.0
159.11719	3.1
161.09627	3.8
163.07506	2.3
167.08678	0.7
169.02707	1.3
169.10146	4.2
171.08369	0.7
171.10222	1.9
171.11691	1.3
173.09650	6.8
173.13156	0.9
175.07632	1.4
175.11140	0.9
183.11635	1.6
185.09612	1.3
187.11305	1.0
189.11229	13.4
197.13226	1.1
201.12791	0.9
207.11778	1.0
209.13342	0.9
211.11165	1.0
215.14510	1.0
225.16379	4.3
227.12672	1.2
235.14812	2.1
243.17502	1.4
253.15895	8.2
261.18491	0.8
271.16940	21.0
289.17926	9.2
345.20514	2.4
363.21674	37.1
364.21896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2379
Annotation	bhos#20
Peak:m/z	Relative Intensity
53.03937	4.9
55.01888	4.9
55.05516	23.1
57.03438	6.3
59.81768	3.4
61.72803	3.6
62.31628	3.9
65.03931	4.1
67.05505	52.4
69.03426	8.9
69.07076	19.9
69.86446	20.2
71.05000	6.6
78.91797	4.0
79.05495	55.7
81.03423	12.9
81.07059	59.6
83.04975	9.4
83.08627	18.7
84.08161	4.9
85.02885	4.5
91.05486	50.8
93.07048	71.2
94.79097	4.0
95.04970	11.3
95.08607	46.9
95.52245	4.1
97.06538	18.0
97.10181	14.9
103.05464	8.1
105.07041	40.2
107.04975	6.5
107.08599	48.0
109.06521	12.1
109.10156	26.9
111.04404	4.7
111.08102	7.5
114.43836	3.5
117.07048	20.3
119.08581	40.4
121.06504	61.2
121.10158	55.2
123.08071	15.1
123.11751	5.9
125.06040	6.4
125.09640	13.0
129.07043	10.3
131.08549	33.8
133.06427	4.8
133.10152	30.0
135.08072	17.5
135.11731	24.5
137.09648	18.9
139.11119	4.3
143.08627	9.3
145.10136	31.3
147.08080	20.2
147.11697	15.8
149.06001	11.4
149.09628	11.9
149.13217	4.6
151.07520	6.3
151.11171	5.0
153.09134	8.1
157.10150	13.2
159.08144	7.0
159.11700	13.0
161.09683	22.7
161.13243	6.4
165.09094	8.7
167.07066	8.7
169.10155	5.6
171.11687	15.0
173.09648	5.9
173.11810	4.5
173.13235	7.4
175.11250	12.6
175.14879	6.2
176.07092	6.0
176.10699	4.6
177.05473	30.5
179.10641	4.4
181.05002	23.8
181.08614	90.1
181.10059	5.5
185.13293	5.2
189.12724	4.9
193.12173	8.3
200.66791	4.0
203.10812	4.6
203.12665	6.0
205.10948	6.7
209.08131	7.2
213.16394	7.3
227.17987	10.3
237.16440	13.2
245.18991	12.3
249.18501	22.8
255.17416	20.1
258.14944	4.4
263.20035	38.4
271.16968	5.3
273.18509	99.3
291.19565	100.0
302.17502	55.2
309.20578	41.7
346.20135	11.0
363.17972	28.4
363.21909	4.8
364.21194	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	363.2893
Annotation	2'(R)-Hydroxylanneaquinol
Peak:m/z	Relative Intensity
55.01878	0.5
55.05306	0.4
55.05513	4.8
57.03447	0.5
57.07066	1.8
58.01514	0.5
61.87051	0.4
67.05505	6.1
69.06729	0.8
69.07072	10.0
69.17225	4.3
69.17630	0.8
71.04987	1.0
71.08620	0.8
79.05512	3.7
81.07060	9.1
83.08630	3.8
84.33949	0.5
85.06548	1.2
91.05480	1.6
93.07028	4.4
95.04962	0.6
95.08608	8.0
97.06527	2.3
97.10166	1.1
99.08082	0.9
105.07010	2.7
107.08587	6.2
109.06522	8.8
109.10154	4.6
111.08073	2.2
119.08558	3.5
121.06404	0.5
121.10120	3.3
123.08073	55.1
123.11696	2.2
127.33547	0.4
131.08592	0.8
133.10138	2.7
135.08067	4.0
135.11696	1.8
137.09590	3.2
137.13234	0.5
145.10132	1.1
147.11720	2.2
149.09660	1.1
149.13248	2.1
151.11224	0.7
159.11684	1.0
161.13286	0.9
165.12787	1.0
167.14288	0.9
173.13278	1.1
175.14844	1.0
179.14313	19.4
179.15852	1.1
193.15639	0.7
233.19096	0.6
263.19986	0.8
264.17786	0.6
275.20044	1.4
289.21487	0.5
289.25098	0.8
303.26868	0.7
307.22690	8.1
329.65009	0.5
331.26294	3.4
339.91232	0.5
345.27808	0.6
363.28931	100.0
364.29227	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	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01880	1.1
55.05504	2.2
57.03432	2.3
61.02924	2.8
62.28573	0.9
67.05492	2.9
67.53859	0.6
69.03429	5.3
69.07065	2.2
70.19537	0.7
71.04976	1.5
71.52557	0.9
73.02915	1.0
79.05487	2.9
81.03412	3.1
81.07082	3.5
81.86555	0.8
83.04961	1.1
85.02911	24.6
86.09692	1.1
87.04471	3.1
91.03940	1.1
91.05489	2.1
93.07060	3.8
95.08622	3.8
97.02892	6.7
97.06547	6.8
99.04470	1.6
105.07024	1.1
107.08621	0.8
109.02872	1.8
109.06536	0.7
115.03933	3.7
117.07013	0.9
119.08637	0.8
120.08111	1.3
121.06513	1.2
121.10153	6.6
122.06837	0.8
127.03917	5.1
131.08530	1.4
135.03035	1.5
135.94493	0.7
136.06178	2.9
137.06018	0.9
139.11200	7.0
144.21468	0.8
145.04993	9.6
147.06837	4.3
148.07558	1.5
149.06122	0.7
149.09630	1.1
152.05687	17.5
153.04091	1.3
157.12268	1.4
160.11234	0.7
161.05997	1.0
163.06046	1.8
167.10690	0.8
176.07120	10.4
176.10727	12.5
177.07866	2.3
177.11433	1.8
185.11722	1.2
189.09135	0.9
193.12158	0.7
202.12381	1.1
204.10233	6.1
205.11024	9.6
206.11774	1.7
229.10933	1.1
235.71828	0.8
258.11243	1.2
258.14932	2.0
273.13599	9.1
302.17526	100.0
320.18625	3.7
346.20114	17.0
364.21289	42.3
364.28421	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.2
55.01874	0.3
55.05519	0.9
57.03426	0.3
62.74869	0.2
67.05502	0.6
69.07059	0.4
69.37692	1.6
71.04979	0.3
79.05495	1.0
81.02986	0.1
81.03413	3.5
81.07056	1.4
83.04973	0.5
83.08630	1.2
84.63979	0.2
85.02882	0.5
93.07031	0.8
94.04050	0.5
95.04958	1.0
95.08604	0.5
97.06522	1.5
97.10175	0.2
104.51987	0.2
105.07028	1.2
107.04971	0.3
107.08602	0.5
109.06503	0.4
109.10171	0.3
111.04424	0.2
111.08112	0.2
119.03542	1.3
119.08588	1.2
121.10147	0.5
129.07016	0.6
131.08546	0.3
133.10135	0.6
134.72348	0.2
135.07959	0.3
136.06184	100.0
137.04578	0.8
137.06635	0.3
143.08592	0.2
147.06779	0.7
147.08041	0.5
147.11716	0.5
149.09636	0.4
152.05669	0.5
157.10114	0.7
162.07787	0.2
174.07759	1.2
175.11172	2.2
176.07066	0.3
176.10710	0.7
177.07866	0.8
178.08557	0.4
189.12791	0.7
193.12215	2.0
202.12335	0.7
204.10168	0.4
205.10930	0.2
206.11627	0.2
211.13312	2.3
217.12259	0.5
229.10968	0.3
229.96129	0.2
240.13603	0.2
258.14804	0.7
273.13556	1.7
291.14685	0.2
302.17505	15.3
303.17795	0.4
310.16653	0.4
320.18503	2.3
328.17593	0.8
346.19296	2.8
364.19861	38.2
365.20175	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24367	0.9
53.04183	1.0
55.05504	1.1
69.07066	2.1
69.22269	1.7
69.22664	8.5
74.09715	1.1
81.07060	2.4
83.08630	1.2
93.07039	4.3
95.08588	4.1
97.06533	1.5
98.21525	2.1
105.07026	2.0
107.08572	1.6
109.10165	2.2
119.08591	2.1
121.10138	1.5
123.11717	4.1
131.08565	1.2
133.10120	1.2
135.08064	1.4
143.08598	1.3
145.10135	2.3
151.11172	0.9
157.10114	1.9
159.11758	1.8
165.12724	1.3
169.10109	1.6
171.11655	3.8
173.13275	1.4
175.14865	1.5
177.12839	1.1
183.11642	1.3
185.13228	1.7
189.12775	1.7
203.14342	3.2
205.12161	1.0
219.28175	1.1
239.17821	1.0
241.19597	5.2
257.19089	1.4
259.20624	12.7
283.20578	1.2
301.21515	5.2
319.22705	100.0
325.74655	1.0
364.28580	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
67.97656	0.6
70.67764	1.5
75.99758	0.6
77.82082	0.6
85.11279	0.6
177.59915	0.7
185.04219	19.4
185.27876	0.6
203.05280	42.2
222.31650	0.6
245.05045	0.7
365.10559	100.0
366.10989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54517	0.2
65.07294	0.3
65.23494	0.2
69.41593	1.5
73.32646	0.2
87.25952	0.2
177.79756	0.2
185.04227	18.1
203.05276	41.8
365.10565	100.0
366.10928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
55.05514	1.8
58.58760	0.7
62.29811	0.7
62.68338	0.9
67.05511	2.4
69.03463	0.7
69.07079	2.1
70.06607	2.0
70.17620	2.3
70.18011	1.7
71.05006	1.7
72.08160	2.1
79.05499	2.3
81.03427	1.7
81.07072	2.4
86.09739	0.8
91.05506	1.4
93.07068	2.3
95.04990	2.2
95.08637	2.5
96.04503	1.2
97.06537	1.3
98.06051	0.8
98.21597	0.9
105.07056	2.1
107.08581	1.4
109.02964	0.9
110.06039	0.8
117.07029	1.0
119.08593	1.9
120.04475	0.8
120.08107	1.0
121.10187	1.2
122.06079	2.0
123.04516	1.1
123.06834	0.8
129.07085	0.9
131.08609	1.5
135.08072	1.5
136.06198	7.4
137.04652	0.8
137.06546	3.6
137.09676	0.9
138.05530	2.4
140.07088	1.7
143.08669	1.2
147.08075	0.9
147.11700	1.5
148.04015	1.1
148.07646	3.5
149.02414	1.4
149.09700	0.9
157.10237	0.9
158.05965	1.1
166.05092	2.9
168.06612	1.9
171.09207	1.0
171.11731	1.0
172.07626	1.7
174.09180	2.6
175.08714	4.7
176.07098	7.4
178.08693	1.1
185.04343	1.7
185.07213	1.3
186.09180	1.3
188.05779	1.1
189.06549	1.0
189.10300	3.4
190.08693	1.7
196.07564	2.0
198.09296	1.5
199.08771	5.7
200.07147	3.6
202.08894	1.2
203.05339	2.8
203.08185	14.9
204.06725	1.6
213.06770	1.1
213.10220	5.2
214.08714	2.0
216.10321	1.4
217.09798	12.8
224.07094	1.6
227.08183	16.2
228.06665	1.7
228.09064	1.0
231.11452	1.3
235.10846	3.0
241.09718	10.1
242.08093	4.1
243.11389	1.1
245.09251	43.1
246.07622	1.2
247.10892	1.7
250.07054	0.9
259.07022	0.8
259.07968	1.1
259.10809	12.4
260.09189	1.1
261.12512	1.7
263.10297	22.9
269.09293	4.3
270.07822	1.3
271.10941	1.3
273.08774	4.1
277.11649	1.4
287.10306	19.6
291.09808	5.3
297.08820	1.1
301.18143	1.3
303.07062	0.8
303.17896	1.3
305.11337	73.3
306.11697	1.1
311.16632	1.0
315.09714	4.0
323.12408	21.2
329.17630	1.5
333.10815	20.4
347.12521	2.5
347.19324	3.1
365.13586	100.0
365.20197	10.3
366.13947	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	365.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	1.3
67.05511	3.2
69.03435	1.4
69.07085	2.6
69.35117	7.3
69.91193	1.0
70.06608	1.9
72.08166	3.9
77.31565	1.1
78.23009	1.1
79.05518	2.7
81.03434	1.8
81.07083	3.2
83.04992	2.5
85.02923	1.3
86.09746	1.4
91.05503	3.6
93.07049	2.4
94.06608	1.1
95.05011	3.5
95.08637	2.1
97.06553	2.4
98.06105	1.5
98.20699	2.3
98.97629	1.5
105.03410	1.1
105.07041	2.5
107.05028	1.5
107.08571	1.7
110.07214	1.3
116.53579	1.1
119.08603	1.8
120.08131	1.8
120.08967	1.1
121.10233	1.4
122.06058	2.2
123.08110	1.8
129.07008	1.3
133.10164	1.5
135.08130	1.2
136.06178	14.6
136.07027	1.1
137.06578	5.0
137.09680	1.6
138.05515	2.2
143.08603	1.1
146.06061	1.8
148.04041	1.5
148.07643	3.1
149.02386	2.7
157.10109	1.3
160.07707	1.2
162.05463	1.5
166.05099	4.1
168.06688	2.0
172.07632	3.5
174.09212	2.3
175.08755	5.2
176.07085	6.6
177.05565	1.3
185.04303	2.7
185.07307	1.3
185.10809	1.3
189.10320	2.9
190.08731	1.5
198.07750	1.8
198.09384	1.3
199.08687	7.3
200.07172	3.4
203.05295	6.3
203.08165	15.0
204.06645	1.9
204.08835	1.1
207.11224	1.3
213.06561	1.7
213.10294	4.2
214.08784	1.5
216.10378	1.9
217.09737	15.0
224.07092	2.3
227.08209	14.7
228.06644	2.2
231.07803	1.9
235.10849	3.4
241.09743	13.4
242.08304	3.9
245.09254	43.3
246.07918	1.2
247.10866	2.6
259.10812	10.7
263.10287	22.4
263.12875	1.5
269.09424	4.0
273.08899	4.7
287.10294	20.1
289.11887	2.2
291.09802	5.7
301.18283	1.6
302.17584	1.3
303.17963	4.3
305.11325	67.8
315.10062	4.4
323.12418	21.1
329.17767	2.9
333.10791	21.3
333.14380	1.7
347.12582	2.6
347.19122	5.5
365.13684	100.0
365.20142	19.8
366.13504	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
56.05021	2.1
61.01153	29.2
61.73738	1.9
69.03427	2.6
70.06607	4.6
71.30961	3.9
71.52673	2.1
72.04520	22.1
72.08167	3.3
73.02910	4.0
78.03387	3.0
78.03790	16.6
81.03411	3.1
81.07052	4.0
85.02914	3.3
85.06557	3.8
86.06078	7.0
87.00824	18.1
88.02216	5.1
91.05484	2.8
93.07071	2.2
95.04981	1.8
95.08658	2.3
97.02876	3.7
99.05582	8.2
102.03780	13.7
103.02179	31.3
104.01703	2.4
107.08611	2.3
109.02891	2.2
109.57370	1.8
113.06016	4.0
114.03802	9.6
114.05537	47.1
117.09151	4.2
120.04810	39.4
120.08112	7.6
124.07589	5.1
127.03928	4.9
129.00064	6.1
131.06415	5.7
132.04820	13.0
140.03456	2.7
142.08673	9.1
146.02742	14.4
147.01120	14.0
149.07445	32.2
159.05919	10.2
163.03862	3.9
164.03816	9.5
166.08670	2.2
174.05887	6.6
175.05467	2.2
176.80621	1.7
184.09740	3.6
185.02795	2.1
185.04204	11.5
190.10924	2.7
191.08502	51.3
201.06969	3.2
203.05296	16.2
217.06401	8.1
217.12271	2.1
218.04732	2.9
218.49481	1.8
234.13403	3.9
235.07494	100.0
263.12964	2.6
303.13696	22.9
304.13522	2.0
321.21002	4.4
347.12692	22.3
347.22461	3.4
365.05960	2.5
365.10486	43.3
365.19296	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	365.1444
Annotation	Pyridaben
Peak:m/z	Relative Intensity
55.01865	3.2
55.05498	5.4
55.67691	2.2
57.03166	3.0
57.03441	56.9
57.07078	76.5
61.02911	7.0
67.05498	3.6
69.03152	1.8
69.03437	19.5
69.07039	2.1
70.06589	1.8
70.75523	2.3
70.75843	3.8
71.01356	30.9
71.04976	4.6
72.08154	3.0
73.02918	42.5
75.04481	24.5
77.02388	7.4
79.05502	2.7
81.03411	6.7
81.07040	3.1
83.01342	4.0
83.04967	6.8
85.02909	69.0
86.09682	2.3
87.04471	31.4
87.08113	17.6
91.05462	3.3
93.07072	3.7
95.01333	11.5
95.04945	4.5
95.08551	2.4
97.02896	36.2
97.06549	3.8
98.03123	1.8
99.00832	13.2
99.04484	11.5
101.02399	9.1
101.06052	2.1
103.03955	11.0
105.07020	2.7
107.08566	3.2
107.66292	2.1
109.02856	2.1
109.06577	2.1
111.04423	5.0
113.02377	39.9
115.03923	4.0
117.05501	13.2
119.08607	2.4
123.00797	2.5
127.03881	2.7
129.05472	19.4
131.03423	14.9
131.08772	2.1
133.04953	5.5
133.10153	2.8
141.01819	27.0
141.05501	2.1
143.07033	2.1
145.05011	8.9
155.03398	2.6
157.04930	9.0
159.02913	10.5
169.04890	4.2
171.06558	3.0
173.04497	3.7
175.05994	3.2
181.04953	3.2
185.04196	4.8
187.06032	5.2
189.11224	100.0
197.04431	5.6
199.06021	2.4
203.05331	11.5
215.05524	11.3
227.05528	4.1
231.12259	15.3
233.06555	3.6
245.06541	13.8
263.07480	2.4
303.17755	6.1
365.10446	25.0
365.14337	4.1
365.19928	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	365.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91777	3.0
53.03933	8.2
55.01870	3.1
55.05490	2.7
57.03419	5.3
58.03939	2.7
59.05007	17.2
61.78940	3.3
69.03432	21.6
69.50970	15.8
70.06578	4.3
71.04987	6.2
78.76688	2.5
79.05508	2.7
81.03422	31.1
81.07085	3.1
84.04485	5.7
85.02914	76.9
87.04481	40.9
88.54619	3.0
89.07169	4.5
95.08577	2.9
97.02904	44.5
98.21494	6.0
99.04459	38.4
101.02322	2.9
101.06000	4.4
103.03949	58.8
107.08607	2.9
109.02892	25.4
111.04439	3.0
115.22232	2.6
117.05500	3.8
120.08128	5.2
127.03926	100.0
143.07080	8.3
145.04961	16.0
155.07037	6.8
167.07076	5.2
185.04211	12.9
185.08075	10.4
187.06073	8.0
203.05278	41.0
203.09201	5.8
245.10303	16.8
253.07193	3.8
271.08191	4.7
283.16867	3.5
347.12704	4.4
365.10587	92.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17192	0.7
61.44675	0.6
65.03913	0.9
67.05508	2.1
70.46083	1.2
70.46424	1.5
79.05492	1.7
81.03414	1.5
81.07044	1.4
83.04964	0.8
91.05510	1.1
93.07025	1.2
94.06554	1.2
105.07004	1.2
109.06529	0.7
121.10085	1.2
122.06015	2.8
123.06789	0.7
124.07573	1.1
136.06189	31.4
137.04633	9.5
137.06604	11.5
142.68758	0.7
149.64485	0.8
151.06270	4.5
152.07068	79.3
155.66719	0.8
166.08644	50.0
179.72456	0.9
182.08191	1.3
194.08130	93.1
198.07623	0.9
199.12285	2.0
210.09178	2.3
211.08694	1.3
212.09183	100.0
213.10144	1.5
214.18259	0.9
227.11813	7.6
237.10161	0.7
240.08989	3.0
241.09714	6.2
255.11288	25.7
274.13794	1.0
283.10831	3.8
301.11871	9.3
302.17645	0.9
303.17767	7.8
321.18936	1.6
347.19443	2.7
365.10507	2.2
365.20157	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.3
55.01873	10.5
55.05513	38.2
56.96571	28.4
57.03427	18.2
57.07091	5.0
61.28001	4.0
67.05514	42.5
69.03433	10.3
69.07076	38.8
69.99342	16.1
70.54508	4.5
71.04979	6.9
74.42713	4.3
79.05495	44.2
81.03420	8.6
81.07065	49.1
83.04986	15.4
83.08632	12.0
85.06535	9.0
91.05482	39.2
93.07047	39.4
95.04977	12.3
95.08084	4.6
95.08601	29.1
97.02893	14.1
97.06540	13.1
97.10169	16.3
105.07043	38.4
107.04969	16.0
107.08604	20.9
109.06521	15.9
109.10147	16.6
111.08182	6.0
115.00732	7.3
117.07008	15.3
119.08585	30.8
121.06519	8.2
121.10155	17.4
123.08120	7.2
123.11662	5.3
125.09605	11.2
129.07014	8.7
131.08585	19.9
133.06529	5.4
133.10156	23.7
135.08067	10.6
135.11697	7.0
137.05928	4.3
141.07071	4.0
143.08578	11.8
145.10150	15.5
146.68752	4.2
147.08018	15.4
147.11670	10.4
149.09679	8.1
151.11130	9.4
157.10115	9.7
159.11705	5.0
161.09665	6.7
171.11710	5.8
173.09583	4.1
177.12856	6.9
189.11241	5.6
199.06415	9.0
199.85687	4.8
217.07462	14.0
223.13295	15.4
241.07417	12.2
251.09641	8.8
255.09073	9.6
255.17455	5.1
259.08597	11.2
269.10626	33.8
273.18576	38.5
287.11713	11.2
291.19534	79.2
347.15219	15.4
347.22049	10.1
365.10526	7.5
365.17032	100.0
365.23276	64.1
383.17514	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97092	1.9
53.03934	8.0
55.01868	20.7
55.05511	25.9
57.03436	21.8
57.07051	2.3
59.04985	7.6
65.03935	5.3
67.05507	88.5
69.03419	7.7
69.07070	32.4
69.32721	12.0
69.33135	4.4
71.04990	7.2
74.84678	2.0
79.05495	66.4
81.03423	14.8
81.07058	100.0
83.01334	3.3
83.04981	17.7
83.08621	11.2
85.02925	2.8
85.06546	9.5
89.25883	2.2
89.93951	1.8
91.05482	97.3
93.07043	71.0
95.04963	22.3
95.08609	31.1
97.02849	2.9
97.06551	12.1
97.10187	2.4
98.21452	4.6
99.04464	3.4
105.07036	68.7
107.04963	17.4
107.07889	3.2
107.08597	53.6
109.06524	15.6
109.10162	45.8
111.04435	3.8
111.08075	9.9
113.06032	3.4
115.05470	3.8
117.07030	15.9
119.08590	18.0
121.06516	13.1
121.10157	19.5
123.04434	3.0
123.08075	13.5
123.11723	17.7
125.09632	3.8
125.41711	2.0
127.07548	3.0
128.06233	4.1
129.07008	8.8
131.08583	25.5
133.06497	14.9
133.09128	4.8
133.10132	88.2
134.77899	2.4
135.07156	2.3
135.08069	20.9
135.11681	9.7
135.12593	1.9
137.09578	2.9
139.07533	4.6
143.08574	11.3
145.10144	13.8
147.08040	8.8
147.11757	9.5
149.09613	22.0
151.11177	57.6
157.10114	6.9
159.08020	5.4
159.11678	6.8
161.09689	9.8
161.13251	4.7
163.11168	5.8
165.07153	2.2
169.12218	9.6
171.11690	7.5
173.09616	4.2
173.13264	2.1
175.11201	7.5
177.09122	9.6
177.12766	2.4
179.10637	3.4
183.11600	2.3
185.13269	3.3
189.12755	4.9
193.12173	2.1
195.13794	2.5
199.11163	4.1
203.14301	2.8
207.13814	2.1
215.12791	6.5
223.12910	2.5
245.19141	11.8
251.12793	3.4
253.14337	63.2
255.17404	5.5
263.20062	10.2
269.13815	6.7
273.18469	37.2
291.16595	2.5
291.19577	31.0
293.20947	2.5
347.22269	8.3
365.23215	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20095	1.8
53.03943	5.0
55.01868	8.5
55.05269	2.7
55.05511	32.3
57.03438	19.1
59.04995	2.0
65.03927	2.2
67.05508	45.0
67.12201	1.5
69.03433	14.0
69.07071	54.0
69.45483	7.8
69.45898	3.4
71.04996	2.5
72.93784	2.0
79.01072	1.4
79.05495	40.2
81.03411	9.5
81.07056	34.0
83.04974	8.1
83.08614	12.5
85.06530	2.2
86.12945	1.5
91.05478	23.3
93.07050	24.0
94.26738	1.5
95.04979	14.2
95.08610	18.2
97.02892	14.1
97.06528	5.0
97.10174	19.8
98.20825	3.8
99.08033	1.6
105.07043	17.4
107.04287	2.2
107.04952	18.2
107.08598	24.7
109.06519	6.8
109.09559	2.0
109.10167	17.5
111.04441	2.9
111.08067	4.2
117.07018	8.1
117.79726	1.5
119.08591	16.9
121.06497	4.1
121.10152	6.6
123.08066	6.4
125.09651	16.1
127.07549	2.1
129.06989	2.6
129.61349	1.6
131.08559	9.2
133.06512	3.9
133.10114	11.9
135.08101	9.1
135.11676	4.8
137.09650	4.6
141.07072	1.5
143.08556	4.9
145.10110	8.6
147.08020	7.3
147.11673	3.9
149.09599	2.4
149.13326	2.4
153.09145	3.8
155.10622	1.8
157.10176	3.1
159.11667	4.9
161.09621	3.2
163.11154	3.0
165.09048	4.1
171.11763	1.8
172.28401	1.5
173.11842	2.1
173.13252	1.5
175.11201	1.9
177.12759	3.4
187.11201	1.8
189.11232	11.7
189.12767	2.8
193.12248	2.4
195.13751	3.0
207.13857	1.8
223.13272	22.0
245.19069	2.4
255.17386	2.8
263.19962	3.0
273.18509	24.5
276.53644	1.5
291.19550	100.0
292.19937	1.7
347.12982	12.3
365.10199	2.1
365.13947	4.3
365.23233	69.6
365.33224	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76940	1.3
53.03940	2.7
55.01874	7.9
55.05514	29.2
55.69176	1.2
57.03438	13.2
59.04987	1.6
65.03954	2.7
67.05509	33.7
69.03432	12.0
69.07072	49.7
70.95869	2.0
71.04985	1.6
71.52197	1.3
72.93782	2.8
79.05497	27.7
81.03411	4.7
81.07059	28.9
82.92237	1.2
83.04980	5.0
83.08628	7.9
85.06539	1.4
91.05486	20.6
93.07047	20.5
95.04988	10.8
95.08599	14.9
97.02896	8.3
97.06529	6.6
97.10168	16.8
99.05983	1.1
105.07042	15.1
107.04955	10.2
107.08601	18.5
109.06508	4.8
109.10181	11.5
111.08109	3.6
115.05411	2.0
117.07040	8.5
119.08597	15.7
121.06499	5.6
121.10154	6.3
123.04405	1.3
123.08083	5.3
123.11709	1.4
125.09624	12.7
128.06227	1.6
129.07018	4.1
131.08597	7.7
133.06491	3.9
133.10161	7.2
135.00673	1.2
135.08029	6.6
135.11736	3.2
137.09624	3.6
143.08578	5.4
145.06531	1.3
145.10088	5.9
147.08046	8.1
147.11655	4.2
149.09648	3.3
149.13214	2.3
151.11235	1.8
153.09123	1.6
157.10121	4.3
159.08063	2.0
159.11664	3.3
161.09619	5.2
161.13135	1.6
163.11174	1.6
165.09143	2.7
171.10237	2.0
171.11700	3.1
172.95190	1.4
173.09631	1.5
173.11818	1.4
173.13321	1.3
175.11241	1.6
177.12747	2.7
184.07379	2.2
185.13258	1.5
187.11232	1.6
189.11165	9.7
189.12674	1.9
193.12260	1.4
199.14780	1.3
201.12752	1.5
203.05273	1.7
205.12195	2.8
206.40372	1.4
223.13269	19.8
227.12814	4.3
227.17961	2.3
245.19006	2.9
255.17488	2.5
263.20056	1.8
273.18518	27.3
273.38123	1.2
291.19556	100.0
292.19821	1.7
311.23718	1.1
321.24200	4.4
347.13062	22.5
347.22125	3.7
365.10413	3.9
365.14294	6.2
365.23224	76.9
365.33374	3.5
388.15714	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01878	7.7
55.05517	31.1
57.03444	9.6
57.07073	1.2
59.04991	0.9
65.03909	0.8
67.05509	31.3
69.03432	11.7
69.07074	40.6
70.16451	2.7
71.04994	2.4
79.05500	29.9
79.47327	0.9
81.03413	6.6
81.07063	22.3
83.04977	4.6
83.08620	11.0
85.06580	0.9
90.13768	0.9
91.05486	18.2
93.07056	19.6
95.01328	1.0
95.04978	7.6
95.08618	12.1
97.02901	16.5
97.06537	2.8
97.10178	17.8
105.03383	1.0
105.07034	11.3
107.04951	6.3
107.08601	16.1
109.06525	2.2
109.10160	11.6
111.04489	0.8
111.08058	2.2
117.07026	7.5
119.08598	9.3
120.99596	0.8
121.06512	3.0
121.10150	5.6
123.04441	1.1
123.08060	3.4
123.11690	0.9
125.09634	14.7
129.07004	3.2
131.08568	8.1
133.06516	2.1
133.10135	6.5
135.08052	5.9
135.11703	2.5
137.06013	1.3
137.09601	4.1
141.06960	0.8
143.08574	2.3
145.06462	1.0
145.10117	5.1
147.08041	4.8
147.11670	2.7
149.09637	2.0
149.13257	2.7
151.11200	1.7
153.09077	1.5
157.10146	2.1
159.11732	2.4
161.09631	2.6
161.13223	1.0
163.11261	1.8
164.50188	0.8
165.09119	1.4
171.10207	1.3
171.11595	1.4
173.11635	1.2
175.11107	1.8
177.09082	0.8
177.12761	2.3
185.13310	1.3
187.11279	1.1
189.11223	9.2
189.12752	1.0
195.13853	2.5
205.12270	2.8
208.37975	0.8
219.95354	0.8
221.15274	0.8
223.13298	32.5
223.15488	1.6
227.12782	2.2
227.17989	1.1
245.18895	1.7
255.17546	1.5
263.20102	1.0
271.06461	1.1
273.18506	13.3
291.19559	100.0
292.19855	1.9
347.13162	2.2
347.22125	2.1
365.23230	57.6
366.23743	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.0
55.01865	11.7
55.05515	56.3
56.96560	5.2
57.03439	19.8
65.03938	5.2
67.05506	66.1
69.03429	9.2
69.07073	28.3
69.23399	12.3
69.23828	18.7
71.04997	5.9
79.05497	64.0
81.03414	4.8
81.07057	60.6
83.04974	13.2
83.08630	13.3
85.06547	4.2
91.05484	100.0
93.07047	70.9
95.04958	11.9
95.08616	47.8
97.06544	11.2
97.10192	14.3
98.20786	5.7
105.04472	3.5
105.07036	85.9
107.04953	11.5
107.08591	32.1
109.06520	14.5
109.10148	16.0
111.08066	6.3
115.05427	8.6
116.06241	5.8
117.07021	48.4
119.08586	41.6
121.06507	14.7
121.10189	17.1
123.08069	13.6
125.09627	8.6
128.06223	24.6
128.89391	3.8
129.07022	27.0
130.07800	9.9
131.08578	98.1
133.06497	8.5
133.10141	31.1
135.08063	16.9
135.11702	8.8
137.09563	3.4
139.11192	7.6
141.07011	14.5
142.07741	9.6
143.08569	94.8
143.09703	4.8
145.06532	3.9
145.10132	99.6
147.08061	16.5
147.11681	15.5
149.09613	5.6
151.11203	5.5
155.08476	5.4
157.10146	32.2
159.08038	7.5
159.11710	22.5
161.09669	21.0
161.13329	4.6
163.11205	7.5
165.06973	3.4
166.07803	4.3
169.10074	19.6
171.11716	26.0
173.13260	4.0
175.11195	11.1
177.12816	4.7
181.10114	16.4
182.10803	3.5
183.11711	10.1
185.13245	11.3
189.12767	4.6
195.11679	25.7
199.14941	4.2
201.12733	3.5
203.05446	5.3
209.13226	3.6
213.12737	7.1
219.51459	3.6
227.18033	11.1
237.16444	24.9
245.19070	11.9
255.17540	24.7
267.08960	5.2
269.12189	3.8
273.18500	66.0
285.10059	4.7
291.19522	7.2
305.18134	3.3
347.18344	5.1
347.22217	51.6
365.06509	4.0
365.10510	5.0
365.19296	47.6
365.23401	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	365.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01867	6.6
55.05519	10.8
57.03442	51.9
57.07064	3.0
61.61840	1.0
65.03937	2.3
67.05510	53.9
69.03424	4.0
69.06732	1.3
69.07073	16.3
70.03149	2.3
70.03529	2.8
71.05003	6.4
72.06547	1.1
79.05502	24.5
81.03417	4.6
81.07059	23.9
83.04972	3.6
83.08619	5.2
85.06551	37.6
87.48055	1.4
91.05487	21.7
93.06486	1.9
93.07053	23.8
95.04974	57.6
95.08608	12.8
97.02888	1.8
97.06544	6.2
97.10181	4.2
98.21472	1.6
105.07035	15.6
107.04956	8.5
107.08607	15.9
109.06524	49.4
109.10138	3.3
113.06013	100.0
117.07029	10.3
119.08597	12.8
119.09402	1.9
121.06503	4.1
121.10144	6.9
123.04506	1.2
123.08053	4.0
125.05937	1.1
125.09622	3.3
127.07586	3.0
128.06221	2.4
129.07043	6.6
131.08586	13.8
133.06483	2.7
133.10123	8.3
135.08066	35.6
135.11694	8.4
141.07108	1.1
143.08591	6.3
145.10155	10.7
147.08073	6.0
147.11705	3.5
149.09618	4.8
149.13280	2.4
157.10130	7.0
159.08028	2.2
159.11688	6.5
161.09576	7.4
163.11203	1.7
165.09116	2.8
171.11707	3.2
173.13261	2.9
175.11169	2.8
177.12799	2.6
183.11586	1.9
185.13242	3.6
189.12814	2.2
195.13785	1.5
198.96829	1.3
199.14850	4.1
201.12799	3.9
217.15894	15.4
219.13925	1.9
223.13304	2.9
227.17923	1.3
233.15532	2.7
237.16327	1.9
245.19107	3.0
255.17430	1.8
273.18503	23.8
291.19553	61.1
307.19025	1.4
347.22110	2.5
365.10519	1.6
365.19391	2.3
365.23227	30.5
365.31781	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	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20540	1.0
52.33285	0.8
53.03929	3.3
55.01879	6.0
55.05515	24.3
56.96543	1.6
57.03440	11.4
57.07073	0.9
59.04994	1.0
65.03941	2.8
67.05508	30.3
69.03432	13.1
69.07073	35.9
70.24319	2.9
71.04971	2.1
79.05497	28.8
81.03425	5.9
81.07065	22.8
83.04964	3.7
83.08638	9.6
85.06538	2.0
91.05486	19.0
91.51058	0.9
93.07050	21.1
94.04196	1.2
95.04981	8.7
95.08604	10.2
96.45443	1.0
97.02895	17.2
97.06554	5.1
97.10172	16.8
103.55589	1.0
105.07037	13.7
107.04968	7.1
107.08604	15.9
109.02870	1.0
109.06513	3.6
109.10159	10.9
111.04488	1.2
111.08067	2.6
117.07006	5.8
119.08568	13.4
121.06490	3.5
121.10146	6.0
123.08042	3.8
123.11734	1.1
125.09627	12.2
128.06265	1.9
129.05432	0.9
129.07010	2.9
130.05679	0.9
130.07767	1.1
131.08578	7.5
133.06506	3.2
133.10129	5.9
135.08072	6.1
135.11688	3.1
137.09639	3.2
143.08572	3.7
145.10121	7.3
147.08075	6.9
147.11681	3.6
149.09621	2.8
149.13277	2.7
153.09073	1.2
157.10130	3.9
159.08105	1.0
159.11710	3.2
161.09666	5.6
161.13150	1.0
163.11240	2.3
165.09166	2.8
165.92937	0.9
169.10117	1.3
171.10117	1.3
171.11598	1.4
173.11719	1.8
173.13268	1.3
175.11234	1.9
177.12726	2.5
183.11668	1.2
185.13246	1.3
189.11269	7.3
189.12767	1.7
195.13873	1.7
205.12321	2.2
211.14865	1.1
213.12885	1.0
219.61592	1.0
223.13300	30.5
227.12830	1.5
227.17908	2.2
229.07375	1.3
229.14476	1.2
245.19060	2.4
249.14867	1.2
255.17363	1.6
259.08426	1.2
263.20090	1.8
267.08960	1.5
273.18530	20.0
284.12723	1.4
291.19550	100.0
292.19775	1.3
347.22168	1.3
365.10480	1.6
365.23212	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2318
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03944	3.0
55.01879	9.5
55.05508	10.3
56.34106	0.9
56.96547	1.3
57.03441	11.5
65.03925	1.2
67.05508	29.3
69.03405	3.7
69.07066	9.5
69.84122	2.1
69.84543	4.1
71.04975	3.1
72.25237	1.0
79.05496	28.7
81.03409	4.7
81.07059	39.9
83.04984	11.9
83.08627	5.8
85.02904	5.6
85.06543	3.8
85.85050	1.1
91.05483	21.1
93.07052	23.9
95.04967	10.7
95.08617	9.4
97.02894	1.9
97.06547	5.6
97.10175	3.0
98.97594	1.6
99.04464	4.4
103.05466	1.0
105.03371	1.3
105.06393	1.7
105.07037	16.9
107.04938	6.9
107.08602	12.8
109.06524	17.2
109.10156	10.8
111.04443	11.2
111.08025	5.3
113.06002	9.5
117.07016	8.7
119.08585	12.9
121.06538	6.4
121.10151	9.2
123.08080	5.7
123.11711	2.1
125.09629	3.3
128.06230	1.5
129.07018	4.2
130.07863	1.2
131.08554	10.3
133.06490	2.4
133.10123	12.8
135.08084	9.1
135.11696	6.7
137.09631	3.2
141.90379	1.0
143.08574	2.9
143.91083	1.0
145.10152	10.9
147.08041	6.2
147.11714	3.3
149.09589	5.9
151.11162	7.0
153.12730	2.4
155.08636	1.3
157.10127	4.2
159.11714	3.2
161.09604	4.5
163.11189	5.7
165.09129	3.4
169.12354	1.4
171.11699	2.3
173.09634	2.2
173.13255	1.4
175.11150	2.0
181.12189	3.8
189.11256	2.5
191.10681	3.1
195.11659	1.2
205.12268	1.2
210.41278	1.2
215.12749	1.1
223.13333	2.4
227.12802	1.2
227.17894	1.8
229.14211	1.5
237.16238	1.3
245.18959	2.9
249.14874	2.7
253.14319	7.2
255.17534	2.2
263.20230	1.1
273.18518	22.7
283.15567	1.2
291.19556	35.0
310.57553	1.1
326.21487	1.1
347.22195	5.0
365.10550	2.9
365.23068	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01879	12.8
55.05272	3.5
55.05515	50.5
56.96568	17.9
57.03440	19.8
57.07067	5.9
67.05509	67.7
69.03442	18.7
69.06728	4.4
69.07069	54.7
69.67947	14.2
71.04985	5.8
79.05070	4.6
79.05499	61.2
81.03423	13.2
81.06603	3.4
81.07064	65.9
83.04988	15.2
83.08633	22.7
85.02886	5.3
87.68828	2.8
91.04911	3.5
91.05486	68.5
93.07051	54.3
95.04968	21.0
95.08620	37.5
97.02890	18.8
97.06528	9.4
97.10170	24.1
105.07034	48.5
107.04990	16.9
107.08587	36.3
109.06524	20.7
109.10161	18.1
111.08067	7.0
115.05434	8.3
116.06281	4.3
117.07034	32.4
119.04984	3.0
119.08595	40.1
121.06488	8.8
121.10153	21.6
123.08060	10.4
123.11753	4.8
125.09595	14.3
128.06203	13.8
129.06985	17.9
130.07791	5.3
131.08586	51.1
133.06483	8.3
133.10172	20.3
135.08069	17.6
135.11755	13.3
137.09555	8.8
141.07005	4.4
142.07809	5.5
143.00050	3.0
143.08559	51.2
145.06410	4.6
145.10126	46.9
147.08073	13.9
147.11713	13.3
149.09615	7.7
149.13197	4.1
153.02293	2.8
153.09052	4.8
155.08568	4.8
157.10101	15.3
159.08052	6.2
159.11682	12.0
161.09618	12.5
161.13174	3.8
163.11179	7.9
165.09134	5.3
169.10117	7.4
171.03270	3.9
171.11642	9.7
173.13174	3.8
175.11244	5.8
177.12721	5.0
181.10107	4.9
183.11754	6.5
185.09639	2.9
185.13264	6.4
189.00537	5.5
189.11176	7.0
192.09099	5.4
193.12187	4.1
195.11705	9.6
198.33516	2.8
199.06378	8.0
203.05388	4.4
213.07811	3.0
213.12863	5.4
213.16431	3.3
217.07417	9.5
223.13283	28.5
227.12807	3.7
227.17908	4.0
229.07491	5.0
237.08116	3.4
237.16348	6.8
241.07428	10.2
245.18962	8.9
249.14702	3.7
251.09479	3.7
253.07538	4.7
255.09024	11.4
255.17412	12.3
259.08572	22.2
269.10593	9.9
271.08463	3.7
273.18497	49.7
285.10071	5.2
291.19537	100.0
344.21112	6.5
347.15164	20.3
347.22006	19.3
365.10458	8.7
365.16504	38.7
365.19635	16.1
365.23239	64.7
383.17529	14.4
388.18369	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2475
Annotation	Quinestrol
Peak:m/z	Relative Intensity
51.00053	1.7
55.05506	6.6
57.07058	3.7
59.04986	2.1
65.03950	3.1
67.05495	15.0
67.72668	1.6
67.80092	1.4
67.98684	1.8
69.03426	3.5
69.07052	7.3
79.05494	13.9
81.07048	17.2
83.04990	2.3
83.08627	5.0
85.06537	4.3
91.05486	20.3
92.44822	1.6
93.07039	22.4
95.04980	28.7
95.08615	22.9
97.06521	3.3
103.05482	1.8
105.07034	31.1
107.08597	18.7
109.06525	6.6
109.10140	10.9
115.05421	2.3
117.07009	8.3
119.08578	32.0
121.06522	2.6
121.10138	12.3
123.08082	4.2
123.11734	4.3
128.06230	6.4
129.07016	9.7
130.07774	4.0
131.08586	14.4
133.06509	2.7
133.10147	14.8
135.08080	9.5
135.11694	6.8
137.09612	3.1
141.07008	4.1
142.07776	13.2
143.08572	23.8
144.09323	8.2
145.10132	23.2
147.08040	4.6
147.11690	5.8
149.09665	2.7
151.07544	2.1
155.08580	7.1
156.09334	12.6
157.10141	36.6
158.10939	2.3
159.08055	3.1
159.11693	20.0
161.09630	6.3
161.13269	3.1
165.07060	3.1
167.08559	6.9
168.09332	2.5
169.10153	14.5
170.10928	11.2
171.11678	16.0
172.12392	2.2
173.09592	5.1
173.13258	5.8
179.08571	6.3
180.09349	3.6
181.10165	10.5
182.10960	4.8
183.11700	18.6
184.12451	2.5
185.09705	2.4
185.13249	39.2
187.11194	7.0
187.14854	9.7
189.12785	3.1
191.14355	1.8
192.09380	3.7
193.10059	8.7
194.10954	5.5
195.11687	16.3
196.12483	7.0
197.13293	14.9
199.11235	4.2
199.14847	4.6
201.12831	3.2
203.14333	1.7
205.10165	3.9
205.15904	3.1
206.10994	3.7
207.11777	11.8
208.12495	7.3
209.13234	14.3
211.11319	2.3
211.14824	8.6
213.12729	8.2
217.15804	2.5
219.11771	4.5
220.12399	3.9
221.13306	13.6
222.13988	5.3
223.14822	11.7
225.12721	3.8
227.14441	2.7
229.15913	2.5
231.11638	3.6
232.12389	2.6
233.13287	5.4
233.20793	2.0
234.13950	2.6
235.14833	7.4
236.15640	2.8
237.16428	7.7
238.17146	2.5
239.14398	2.7
239.17720	1.8
241.15910	4.0
243.11749	2.0
246.13986	2.5
247.14877	3.7
248.15585	3.5
249.16449	9.6
251.17909	6.8
253.15932	2.3
256.18179	2.2
259.14780	2.8
261.16391	3.2
263.17996	7.2
264.18735	4.6
265.15936	2.0
265.19522	4.3
267.17508	2.9
269.19003	4.4
277.19379	2.2
279.17346	2.5
281.19067	3.6
282.19827	2.4
287.17975	2.0
289.19440	5.1
289.27036	1.7
291.17337	4.4
307.20721	3.0
309.18439	3.8
319.24316	1.9
329.22696	4.6
347.23645	31.1
365.24747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.3
55.05518	10.7
57.03442	1.8
57.07080	80.8
57.10830	1.1
59.04989	1.6
67.05513	13.9
69.07072	37.3
69.85719	2.9
69.86131	4.3
71.04985	3.1
73.06538	1.4
79.05498	10.1
81.06664	1.4
81.07068	16.8
83.04982	3.9
83.08616	10.3
85.06548	51.2
91.05471	5.8
93.07051	17.5
95.04929	1.8
95.08612	17.8
97.06519	13.1
97.10172	1.5
99.08084	1.4
101.06006	1.6
105.07015	5.8
107.08605	17.9
108.86821	1.4
109.06522	20.6
109.10173	6.8
111.08090	7.8
111.11720	2.7
119.08544	4.0
121.10143	7.2
123.08052	9.4
123.11689	2.6
125.05945	1.9
133.10095	2.6
135.08055	25.7
135.11708	25.3
145.10127	4.6
147.11711	3.4
148.02037	1.4
149.09631	2.2
151.07526	3.8
153.12752	16.9
159.11646	1.4
161.09584	2.5
163.11182	3.3
165.12764	12.3
167.14304	2.1
177.12791	9.8
179.14294	1.9
181.12233	2.4
191.14435	1.9
193.12271	1.8
195.13797	3.1
201.14803	1.8
205.15721	1.9
217.14319	15.1
263.20084	54.0
279.19476	4.4
281.21057	2.1
291.19476	3.4
337.27356	4.0
347.25824	100.0
348.26416	1.8
365.26996	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.03944	0.2
55.01845	0.2
55.05514	0.9
57.07077	3.6
59.13530	0.2
67.05504	1.0
69.07068	1.0
69.89280	0.6
69.89670	0.4
70.67484	0.2
75.96362	0.2
79.05486	1.2
81.07054	1.5
83.04982	0.3
83.08632	0.4
85.06541	1.9
91.05477	0.9
93.07029	1.4
95.04980	0.9
95.08611	1.4
97.06516	0.5
101.27752	0.2
105.07034	1.2
107.08595	1.1
109.06519	1.6
109.10147	0.5
111.08074	0.3
117.07021	0.2
119.08588	1.2
121.10143	0.8
123.08064	3.1
123.11664	0.2
124.08834	1.5
125.05976	0.3
128.06203	0.2
131.08553	0.5
133.10124	0.8
135.08044	1.3
135.11659	0.4
137.05997	0.7
137.09608	0.4
138.06754	0.3
139.07542	0.4
143.08537	0.5
145.10124	1.0
147.08090	0.2
147.11717	0.4
149.09583	0.3
151.07541	3.5
152.08319	6.4
155.08589	0.3
156.09373	0.3
157.10121	0.8
159.11702	0.7
161.09651	0.4
161.13148	0.2
163.11205	0.2
165.09114	8.1
165.10527	0.4
165.12808	0.4
165.97391	0.2
166.09892	0.7
169.10161	0.2
170.10883	0.3
171.11699	0.4
173.09631	0.2
173.13339	0.3
177.09064	0.3
177.12761	0.4
179.10707	2.0
179.14166	0.2
181.09972	0.3
181.12279	0.3
183.11658	0.4
185.13214	0.9
187.11154	0.2
187.14799	0.2
193.10152	0.3
193.12251	0.4
194.11168	0.2
194.13005	3.4
195.11754	0.4
195.13789	0.3
197.13229	0.4
201.86641	0.2
207.11821	0.3
207.13734	1.4
209.13239	0.3
210.75900	0.2
211.14827	0.2
221.13307	0.4
223.14856	0.2
235.16922	0.9
249.18497	0.6
251.14345	0.2
263.17966	0.1
263.20135	2.7
263.22678	0.3
265.16159	0.2
277.21713	0.3
291.19644	0.4
319.26282	1.3
337.27365	0.5
347.25858	16.9
348.26138	0.4
365.26880	100.0
366.27194	2.5
382.58347	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	365.269
Annotation	Sarcotol acetate
Peak:m/z	Relative Intensity
55.01867	0.8
55.05519	3.3
57.07081	7.1
60.98429	0.4
67.05511	2.6
69.03433	0.6
69.07078	4.6
70.49026	0.7
71.08624	1.0
79.05514	2.2
81.07066	3.9
83.04981	0.9
83.08633	1.0
85.06557	3.9
88.84459	0.5
89.67069	0.4
91.05482	1.3
93.07055	3.5
95.04972	1.0
95.08614	4.4
97.06538	1.9
97.10191	0.5
99.08110	0.5
105.06387	0.4
105.07061	1.7
107.08604	3.9
109.06531	2.6
109.10156	1.4
111.04447	2.2
111.08096	0.8
119.08578	1.5
121.06537	0.5
121.10143	1.3
123.08080	5.5
124.08853	1.0
125.05987	1.9
131.08543	0.4
133.10135	0.7
135.08102	2.2
135.11690	3.0
137.06004	1.8
137.09615	0.6
139.07536	0.7
145.10135	1.2
147.11647	1.0
149.09644	1.1
151.07547	3.4
151.11162	0.4
152.08347	3.1
153.12758	0.6
157.10168	0.5
161.09631	0.7
163.11240	0.9
165.09125	12.2
165.10524	0.6
165.12811	1.2
166.09869	0.9
175.11214	1.1
177.09184	0.7
177.12782	0.5
179.10718	1.6
179.14272	0.9
181.12219	0.9
191.10843	0.6
191.14418	0.5
193.12198	0.9
195.13841	1.4
208.12727	0.4
208.14500	2.1
219.13889	0.4
221.15384	1.8
221.18991	0.7
235.16960	0.9
249.18541	1.0
263.20157	3.5
305.24780	9.8
319.26370	5.7
337.27423	1.1
347.25845	50.6
348.26294	1.4
365.26907	100.0
366.27225	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2687
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01866	2.3
55.05518	10.7
57.03442	1.8
57.07080	80.8
57.10830	1.1
59.04989	1.6
67.05513	13.9
69.07072	37.3
69.85719	2.9
69.86131	4.3
71.04985	3.1
73.06538	1.4
79.05498	10.1
81.06664	1.4
81.07068	16.8
83.04982	3.9
83.08616	10.3
85.06548	51.2
91.05471	5.8
93.07051	17.5
95.04929	1.8
95.08612	17.8
97.06519	13.1
97.10172	1.5
99.08084	1.4
101.06006	1.6
105.07015	5.8
107.08605	17.9
108.86821	1.4
109.06522	20.6
109.10173	6.8
111.08090	7.8
111.11720	2.7
119.08544	4.0
121.10143	7.2
123.08052	9.4
123.11689	2.6
125.05945	1.9
133.10095	2.6
135.08055	25.7
135.11708	25.3
145.10127	4.6
147.11711	3.4
148.02037	1.4
149.09631	2.2
151.07526	3.8
153.12752	16.9
159.11646	1.4
161.09584	2.5
163.11182	3.3
165.12764	12.3
167.14304	2.1
177.12791	9.8
179.14294	1.9
181.12233	2.4
191.14435	1.9
193.12271	1.8
195.13797	3.1
201.14803	1.8
205.15721	1.9
217.14319	15.1
263.20084	54.0
279.19476	4.4
281.21057	2.1
291.19476	3.4
337.27356	4.0
347.25824	100.0
348.26416	1.8
365.26996	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	365.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
57.07084	9.9
65.90871	0.5
67.05484	1.5
69.07061	1.2
71.70297	0.5
79.05477	1.7
81.07050	2.2
83.08621	0.7
85.06549	6.2
89.99427	0.5
91.05494	0.6
93.07058	1.2
95.04971	0.4
95.08609	1.9
97.06466	0.5
102.81411	0.5
105.07010	0.6
107.08569	1.1
109.06528	9.0
109.10151	0.9
119.08594	1.0
121.10146	1.0
123.08051	1.8
132.71347	0.5
135.08034	0.6
137.05980	0.8
137.09712	0.5
145.10252	0.6
151.07578	5.5
157.10130	0.7
159.11806	0.6
193.12190	0.8
263.20081	100.0
264.20410	2.4
286.00952	0.5
316.41217	0.5
347.25903	0.7
365.10638	1.0
365.26898	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	366.176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16499	0.9
53.03934	3.6
55.01873	5.1
55.05503	1.1
57.03436	4.9
60.04508	2.5
61.02925	5.7
66.64085	0.9
67.05505	1.4
68.99797	1.5
69.03431	31.0
69.07054	1.2
70.17612	2.3
70.18013	1.5
71.04987	4.7
72.08159	0.9
73.02929	4.5
79.05495	1.3
81.03421	19.9
81.07040	1.4
83.08577	1.0
85.02908	100.0
85.06542	0.9
86.03232	1.0
86.09714	7.6
87.00832	52.1
87.05545	1.0
91.03961	1.1
91.05444	1.9
95.08570	1.0
97.02895	31.8
99.04454	11.4
101.02394	1.0
105.01871	93.0
108.04488	2.0
109.02891	27.9
115.03911	1.4
117.01842	1.2
120.06627	1.0
120.08080	1.9
126.05499	1.9
127.03922	71.4
128.10678	1.4
129.01851	2.5
133.10158	1.6
136.06201	6.4
145.04962	39.1
147.02867	2.6
149.09737	0.9
151.11168	1.8
159.02910	11.5
162.15016	0.8
169.12190	1.0
173.12860	11.8
177.03944	1.2
178.96559	1.1
189.03934	3.6
193.12231	1.5
201.12372	3.0
204.12462	2.0
213.03954	3.7
231.02702	1.9
231.04991	29.3
249.06030	15.1
264.24387	1.1
264.96500	1.5
285.16922	1.4
304.17969	1.2
366.17532	1.9
366.28647	1.7
374.19446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.0
57.03440	1.2
61.84190	1.0
66.04231	1.1
67.05502	4.6
69.03407	1.3
69.07072	4.4
70.12392	5.4
79.05492	3.6
81.07054	5.5
83.08629	2.6
88.63094	1.2
91.05478	2.9
93.07047	3.6
95.08606	5.3
105.07031	2.3
107.04940	1.3
107.08606	4.8
107.09551	0.9
109.10168	4.2
119.08614	3.3
121.10157	4.0
123.11738	3.6
133.10153	1.6
135.08064	1.5
135.11694	1.4
135.23853	1.3
143.08507	1.2
145.10170	3.1
147.11690	2.4
149.13333	1.3
157.10162	2.6
159.11722	1.8
161.13254	3.0
163.11226	1.2
163.14828	1.5
171.11774	2.4
175.14839	1.4
177.12743	3.9
183.11658	1.4
189.12741	1.2
197.13222	1.9
198.44252	1.3
203.14381	4.6
215.14345	3.4
225.16644	1.1
227.18044	2.0
229.15805	2.4
259.20654	1.8
267.21045	2.7
273.22098	6.2
275.20352	1.2
285.22223	5.5
292.19940	4.3
303.23221	18.0
321.24265	100.0
322.24640	1.5
341.99585	1.3
366.23572	3.3
366.29984	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	366.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71606	1.4
55.01865	2.8
55.05521	11.9
57.06794	2.1
57.07077	39.2
59.04969	1.7
64.31763	1.6
67.01965	1.5
67.05525	7.9
69.07059	4.2
71.08636	28.0
71.52824	1.4
73.06517	3.8
79.05487	7.8
81.05257	1.4
81.07066	9.7
82.06625	1.7
83.08603	7.5
84.08115	2.3
85.10187	19.4
89.06036	100.0
91.05495	3.5
93.07063	3.6
94.06556	1.5
95.04998	6.7
95.08617	4.5
97.10188	12.5
99.11736	3.3
105.07026	3.2
107.04993	2.2
107.07068	4.3
107.08630	8.1
108.08897	1.4
109.06561	1.9
109.10172	2.0
110.06026	1.6
111.08071	2.4
119.08588	4.1
121.06448	1.5
121.10090	1.6
123.08069	1.9
125.09676	7.9
130.08636	2.0
133.08615	32.5
133.10126	3.2
135.08058	2.7
135.11720	1.7
140.14352	6.9
145.10149	2.6
149.09639	3.3
150.90390	1.5
150.99364	1.3
151.09660	5.0
154.12292	5.8
155.17932	2.2
163.11174	3.3
165.12746	1.6
177.11290	10.1
177.12636	2.5
180.13788	1.9
182.15416	3.4
186.69949	1.5
193.12167	1.3
195.12292	49.0
199.20636	2.5
218.19786	1.7
237.14839	1.5
243.23260	3.6
264.23117	2.3
274.21854	2.6
275.20001	4.6
292.22775	6.1
306.24142	7.5
307.22720	15.3
324.25330	11.6
334.23654	2.9
349.29520	56.0
349.33813	2.8
366.26416	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.9605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29869	0.6
54.70340	0.5
70.53247	0.9
70.53602	1.1
77.75856	0.5
84.26646	0.6
94.93022	3.8
112.89614	100.0
114.89336	7.6
116.89134	5.0
136.93999	1.0
166.95096	1.0
176.93512	1.2
177.62956	0.6
185.04248	1.4
186.82841	10.2
187.04718	1.0
197.90302	0.6
203.05272	2.8
204.05620	1.4
205.05737	2.3
212.85217	1.1
214.85063	1.8
220.90331	0.7
236.87257	0.5
268.98257	30.8
281.19556	0.6
324.85242	0.7
366.10794	3.8
366.90100	0.7
367.11130	12.4
369.56903	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99601	1.1
55.01860	5.5
57.03423	4.4
61.02921	2.4
68.99777	5.2
69.03153	1.2
69.03432	13.3
71.24034	1.7
73.47437	1.1
81.03413	7.8
83.08596	1.8
85.02909	56.4
87.00838	13.0
87.04472	1.8
91.05483	14.5
97.02890	4.0
101.09620	1.3
103.03974	2.1
103.05454	5.1
105.01859	2.9
105.07032	2.9
109.02863	2.2
111.00788	3.0
111.04424	2.3
115.05425	3.3
117.07011	5.3
119.04954	16.2
121.06470	4.4
123.04424	12.9
127.03907	3.5
128.06242	6.5
129.01811	1.4
129.07013	10.2
131.04951	9.7
133.06480	4.0
135.04474	1.7
137.05978	25.6
141.06903	2.3
143.08516	5.4
145.04939	4.5
145.06509	7.3
147.04419	38.8
149.04825	1.2
149.05984	20.5
151.07512	2.8
151.90541	1.4
152.06242	1.7
153.07007	7.5
157.06497	10.2
159.04396	1.9
160.05212	4.2
161.05975	16.7
163.03926	6.1
163.07570	3.5
165.05482	100.0
167.07019	2.4
169.06491	1.7
171.02875	10.5
171.08040	7.4
173.04572	2.1
173.05969	10.5
174.06729	2.9
175.07553	23.4
177.05478	4.9
179.07010	5.2
181.05016	2.7
181.06468	9.5
184.05124	1.6
185.05974	4.8
187.07489	3.2
189.03923	15.8
189.05484	7.0
189.09097	5.3
191.07016	10.7
193.04985	2.8
193.08578	1.7
195.06508	5.3
199.07542	15.2
201.05426	3.5
201.09077	1.5
203.07054	19.2
207.06639	6.0
215.07077	1.5
217.08594	18.5
219.06477	5.0
221.08089	17.5
227.07031	12.1
233.08141	6.0
235.09563	2.3
245.08098	45.6
263.09155	32.3
268.62491	1.2
281.10071	2.2
307.08069	4.5
331.07977	1.8
347.99255	1.2
349.09177	16.8
367.10187	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.9
57.03429	3.5
58.04667	2.4
68.99773	3.5
69.03423	16.3
70.06595	4.3
71.51764	3.3
73.64257	2.5
81.03416	11.4
82.48210	2.6
84.04537	2.8
85.02913	72.1
87.00802	13.9
87.04475	3.1
91.05479	17.5
93.07038	4.9
97.02902	4.6
103.05466	4.5
105.07035	6.2
107.08620	3.0
109.02873	3.9
115.05471	5.4
117.07008	5.9
119.04957	17.8
120.08125	5.8
121.06551	3.6
123.04424	15.1
123.11704	3.6
127.03979	3.7
128.06300	3.1
129.07018	12.2
131.04913	9.6
133.06476	2.6
133.10042	3.0
135.04326	2.7
136.07578	2.8
137.05997	29.2
143.08588	4.9
144.57158	2.4
145.04915	4.4
145.06476	8.4
147.04414	41.1
149.05975	21.2
151.07558	4.5
151.11176	5.6
153.06989	10.0
157.05377	2.8
157.06468	15.2
161.05972	10.6
163.03912	6.9
163.07555	4.3
165.05489	100.0
169.12285	5.3
171.02924	9.6
171.08128	7.2
173.05960	8.6
173.80833	2.3
175.07561	25.6
177.05519	7.1
179.07042	2.8
181.06526	12.3
185.05933	5.3
189.03964	16.0
189.05519	8.3
189.09152	8.2
191.07062	10.6
195.06538	5.7
199.07552	14.4
201.05518	3.6
203.07077	16.5
207.06541	4.6
207.64320	2.6
215.07011	3.0
217.08640	18.2
219.06413	6.2
221.08087	16.2
227.06982	9.0
233.08038	4.8
242.83597	2.4
245.08122	40.8
245.35651	2.7
263.09164	29.9
263.47092	2.6
275.05731	2.9
288.80905	2.6
349.09177	14.7
367.10327	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	367.1886
Annotation	20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Peak:m/z	Relative Intensity
55.05520	2.7
56.96568	18.1
57.03428	2.3
59.05340	1.1
67.05507	5.8
69.07051	3.5
71.53145	2.3
71.95251	3.0
79.05479	5.6
81.07062	16.0
83.08627	1.6
89.33017	1.2
91.05486	3.1
93.07035	5.4
95.08589	4.5
97.06515	1.9
97.96806	1.9
98.97603	1.9
105.07034	4.4
107.04896	1.4
107.08573	4.6
108.40631	1.2
109.06503	2.4
109.10144	1.7
110.97563	3.6
117.07013	1.4
119.08560	4.0
121.10159	3.1
128.98547	2.8
131.08572	1.8
133.10152	2.0
137.09595	1.3
143.08490	1.3
145.10085	1.6
146.99651	1.3
147.11630	1.5
149.09619	1.5
153.29539	1.5
159.11780	1.9
167.03818	1.2
171.03343	1.4
185.04866	1.9
199.06357	3.3
203.05974	1.7
205.07446	2.0
211.06311	1.8
211.11662	1.3
213.07993	10.1
217.07423	3.6
223.02844	1.3
225.08049	2.1
229.07568	8.2
231.09042	8.3
239.09520	2.4
241.11064	2.7
243.09033	1.6
247.08508	4.7
251.09567	5.9
255.09068	6.5
257.10559	1.9
259.12137	3.6
269.10583	24.4
273.09915	3.1
275.19949	5.0
279.09015	2.6
280.09808	1.4
286.16037	1.4
287.11679	12.7
292.12225	2.3
297.10126	2.4
315.11005	1.9
331.15964	7.8
341.47360	1.4
349.16901	11.1
349.23709	2.1
367.17892	100.0
384.76364	1.3
385.19156	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39652	1.8
53.03946	4.2
53.59179	1.9
55.01872	13.4
55.05517	27.5
57.03440	17.1
57.07089	3.5
67.05511	63.6
69.03431	3.1
69.07074	31.5
70.92068	2.5
70.92397	3.1
71.04993	3.9
71.08640	3.0
72.72128	1.8
75.97135	2.4
77.10574	1.8
79.05500	50.5
81.03426	5.0
81.07059	100.0
83.04964	9.5
83.08624	17.5
85.06539	2.9
91.05490	38.3
93.07054	42.9
95.04962	13.1
95.08621	44.5
97.06543	17.9
97.10161	12.0
99.08096	3.4
103.05514	2.5
104.01780	1.8
105.07038	38.6
107.04943	11.7
107.08604	29.5
109.06540	9.9
109.10166	18.3
111.08089	3.6
112.76814	2.1
115.05415	2.3
117.07056	12.4
119.08589	33.7
121.06545	5.1
121.10149	20.4
123.08082	4.9
123.11734	9.8
123.20159	2.0
125.09609	7.4
129.06985	2.5
131.08560	21.0
133.10144	28.3
135.08067	9.0
135.11691	11.9
137.09602	6.8
139.11264	2.1
143.08522	3.4
145.10118	20.0
147.11716	19.0
149.09650	11.9
149.13271	7.5
151.11159	4.9
152.86409	1.8
155.08620	3.1
155.10698	2.4
157.10138	5.8
159.11725	14.3
161.09776	2.3
161.13271	6.0
163.11188	11.9
163.14778	2.1
165.12726	7.3
169.06400	1.9
169.10158	4.1
171.11755	4.1
173.09607	2.7
173.13271	5.5
175.11200	5.9
175.14920	2.7
177.00732	2.4
177.12758	6.6
179.14325	2.5
181.12334	2.1
183.08069	2.4
183.11832	2.2
186.93758	2.0
187.11319	2.6
189.11145	6.9
189.12790	3.4
195.13811	2.7
197.13246	3.1
210.97781	2.6
229.19650	3.2
239.18019	3.8
247.20673	5.1
251.27759	2.1
255.15953	3.9
257.19095	10.9
269.17517	8.2
275.20105	59.9
275.23160	2.8
285.63748	2.3
293.21136	15.3
301.35956	2.1
349.23938	27.9
367.24643	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
54.58496	1.8
54.66453	2.0
55.01879	12.7
55.05513	43.0
57.03443	13.0
59.04989	2.0
60.71289	1.8
64.87826	1.8
65.03944	3.1
67.05509	55.0
69.03408	2.4
69.07074	26.5
70.69715	5.1
71.04985	5.1
71.08618	1.9
73.02910	1.7
79.05496	70.2
79.64189	1.9
81.03406	4.6
81.06599	3.3
81.07063	59.9
83.05002	9.8
83.08235	1.8
83.08635	22.3
85.06552	4.1
91.05487	46.3
93.06489	3.6
93.07050	52.5
94.07338	1.9
95.04964	8.5
95.08611	29.9
97.06533	16.9
97.10176	24.2
99.08094	2.5
105.07041	50.5
107.04938	13.2
107.08599	79.8
109.06513	8.5
109.10148	26.6
111.08090	4.5
117.07012	19.9
119.08595	26.6
121.06519	3.9
121.10146	19.3
123.08043	5.3
123.11694	6.3
125.09644	25.9
125.94245	1.8
129.06973	4.9
131.00072	2.6
131.08575	23.9
132.05606	1.8
133.10126	31.2
135.08046	7.5
135.11713	13.9
137.09601	3.0
143.08557	5.3
145.06538	2.3
145.10124	28.8
147.08023	2.1
147.11691	15.8
149.09627	31.7
149.13243	7.3
151.11192	4.0
153.09090	3.9
153.20114	1.7
155.08505	1.9
157.10121	6.1
159.11702	16.4
161.09581	3.3
161.13219	6.0
163.11166	9.6
169.10054	2.3
171.10173	6.0
171.11673	8.4
173.09602	2.0
173.13243	9.0
177.12743	6.5
181.12338	1.9
183.11598	3.1
185.13217	5.8
189.11209	26.7
195.13899	2.5
197.13214	5.0
203.14285	2.5
214.06964	2.0
219.17522	9.3
227.12749	12.7
229.19431	4.3
239.17943	6.9
245.13797	11.7
247.20441	3.1
251.19968	2.6
253.18141	4.1
255.15889	3.3
257.19052	18.3
269.17429	14.0
275.20074	100.0
293.20953	11.5
321.05310	1.9
331.22479	2.5
349.19827	3.4
349.23779	56.8
367.20435	4.3
367.25214	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01862	5.9
55.05272	2.5
55.05517	36.0
56.17180	1.7
57.03441	19.2
57.07081	2.2
59.91697	2.0
66.40620	1.7
67.05138	1.9
67.05508	42.3
69.03418	4.8
69.07070	13.2
69.78157	8.9
71.08634	53.6
79.05501	37.3
81.03402	4.8
81.07059	42.6
81.82957	2.0
83.04979	6.9
83.08620	14.4
91.05485	15.1
93.07038	25.5
93.90211	1.8
95.04968	9.1
95.08617	22.7
97.06509	6.2
97.10169	23.6
98.20729	2.0
99.08096	30.1
105.07039	18.2
107.04942	4.1
107.08605	26.7
109.06538	3.4
109.10168	13.4
111.08080	4.4
117.07007	6.1
119.08585	11.3
121.06521	4.2
121.10126	8.5
123.08054	3.2
125.09631	26.6
131.08562	7.3
133.10127	10.7
134.86888	1.9
135.08055	5.7
135.11739	5.7
137.09618	2.2
139.11182	3.0
145.10139	7.0
147.11708	4.7
149.09639	3.8
149.13264	3.6
151.11192	5.6
157.10205	2.1
159.11700	7.7
161.09590	2.6
163.11224	3.5
165.12723	3.3
169.10245	3.2
171.11609	2.5
175.11273	3.0
177.12776	5.4
189.11209	19.2
191.14238	2.3
195.13864	3.5
250.10268	2.4
257.19022	3.3
265.21329	2.8
267.15945	2.5
275.20120	25.1
293.21127	100.0
313.21542	2.9
331.22720	2.9
347.15240	2.7
349.23901	3.8
367.16666	3.8
367.24896	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	1.8
53.03936	5.3
55.01878	13.9
55.05518	33.4
55.65760	1.5
57.03445	15.2
57.07084	1.8
65.03928	2.9
67.05511	60.3
69.03409	4.9
69.07084	29.9
69.76003	8.7
71.04980	6.5
71.08636	4.4
78.87347	1.7
79.05499	50.0
81.03404	4.8
81.07064	100.0
83.04990	9.3
83.08625	16.4
85.06532	6.9
91.05489	47.5
93.06496	2.7
93.07053	44.7
95.04993	14.6
95.08613	44.8
95.72554	1.6
97.06529	19.7
97.10154	7.7
98.20721	1.9
99.08080	5.8
105.07036	51.4
107.04967	9.9
107.08599	41.2
109.06522	15.9
109.10166	20.4
110.81027	1.7
111.08068	6.0
116.98431	1.7
117.07032	14.4
119.08591	40.7
121.06510	6.5
121.10135	17.9
123.08060	7.8
123.11702	10.8
125.09621	7.1
129.06999	5.8
131.08578	20.8
133.10135	32.6
135.08069	11.5
135.10823	1.9
135.11685	11.2
137.09607	6.9
137.13225	2.1
139.11185	2.3
143.08577	4.2
145.10146	20.2
147.08130	2.6
147.11714	21.3
149.09628	16.5
149.13232	6.0
151.11172	7.5
157.10091	5.6
159.08162	2.0
159.11687	12.3
161.13246	6.2
163.11168	9.2
165.09013	2.1
165.12689	3.3
169.10092	3.0
171.10306	2.3
171.11691	4.3
173.09644	2.1
173.13280	4.3
175.11166	4.9
177.12691	4.6
185.13199	2.6
186.41496	1.6
187.11134	2.1
189.11212	4.7
195.13768	3.3
197.13255	3.0
198.90627	1.8
211.14972	2.2
217.15979	2.3
219.17404	2.0
225.34045	2.0
227.12860	3.1
229.19565	4.5
239.17970	5.2
245.13867	2.1
247.20561	8.5
251.20203	1.6
257.19016	10.3
265.21530	2.1
269.17459	5.0
271.15384	1.8
275.20105	71.0
285.17145	2.4
293.21072	19.0
343.01257	1.6
349.23798	31.0
367.11566	1.8
367.24878	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.8
53.73426	2.4
55.01877	11.6
55.05278	2.3
55.05514	33.7
56.96565	4.1
57.03441	16.1
57.07064	4.5
60.16799	2.2
65.03931	3.4
67.05509	90.2
69.03414	8.4
69.07072	31.9
71.04981	8.4
71.52553	3.6
72.14932	2.6
79.05494	51.2
81.03412	7.9
81.07054	87.3
83.04976	10.5
83.08624	20.7
84.88903	2.3
85.06570	3.5
86.09717	3.1
87.04419	2.6
91.05479	41.2
93.07040	43.1
95.04975	11.5
95.08610	44.7
97.06552	18.3
97.10157	10.4
97.16984	2.2
100.11266	11.4
103.05505	2.4
105.07034	40.9
107.04945	9.5
107.08588	32.7
109.02935	2.5
109.06539	11.5
109.10168	30.2
111.04440	2.5
111.08059	6.9
117.07015	13.3
119.08585	33.7
121.06509	6.9
121.10175	19.3
123.08073	7.7
123.11693	10.8
124.43800	2.9
125.09618	10.7
127.03889	4.3
129.06987	3.8
131.08612	15.6
133.06425	2.7
133.10117	21.6
135.08043	9.9
135.11667	8.6
137.09619	8.9
139.11110	3.3
141.06912	4.0
143.08514	4.3
145.10147	19.0
147.11700	24.6
149.09610	15.5
149.13278	5.6
151.11165	3.0
155.10902	2.5
157.10092	3.9
159.08138	2.3
159.11708	15.8
161.09666	2.9
161.13225	7.1
163.11172	8.5
165.12798	3.9
171.11771	4.4
173.11809	5.1
173.13316	6.7
175.11198	5.3
177.12764	6.1
182.15350	4.0
187.14742	3.8
189.11224	6.2
205.12236	4.5
210.14977	3.8
214.10545	2.5
227.12808	4.5
229.19485	2.8
239.17946	5.2
243.10832	2.7
247.20538	3.8
257.18976	10.2
269.17487	3.0
275.20065	51.2
285.18561	2.4
287.13385	3.7
288.01190	2.5
293.21109	5.0
305.18338	2.8
313.59912	2.6
345.75330	2.5
349.23962	19.8
367.20871	100.0
367.24869	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03906	1.4
55.01814	2.9
55.05455	18.1
57.03381	6.4
57.07017	1.1
59.04969	0.8
67.05508	14.7
69.03374	2.7
69.07073	14.4
70.64404	1.6
71.04932	1.2
71.08633	35.8
79.05491	13.2
79.57232	0.7
81.03418	7.8
81.07055	13.1
83.04995	3.4
83.08612	7.6
91.05481	6.2
93.07045	8.4
95.04971	4.8
95.08611	7.5
97.02837	1.7
97.06474	2.1
97.10172	8.7
99.08097	27.4
105.07018	4.7
107.04906	2.5
107.08595	7.7
109.06459	2.0
109.10162	5.7
111.08025	2.5
117.06955	2.5
119.08587	3.4
121.06443	1.9
121.10091	3.0
123.08009	0.9
125.09638	8.3
129.06924	1.2
131.08504	2.5
133.10065	2.6
135.08005	2.2
135.11627	1.2
137.09598	1.1
139.11171	1.0
145.10059	1.9
147.11661	1.2
149.09601	1.1
149.13176	2.2
151.11147	2.0
153.09047	1.6
157.10068	1.7
159.11661	1.0
163.11156	1.2
165.12729	1.0
167.10643	2.9
171.10138	1.3
173.11766	0.9
177.12711	3.3
179.61816	0.8
181.04997	0.7
189.11234	6.0
193.12207	1.5
195.13748	1.6
205.19615	0.9
227.12775	1.0
237.40590	0.7
247.20599	1.2
257.19092	1.1
275.20065	10.2
289.65857	0.8
293.21109	100.0
294.21439	1.5
332.25983	0.9
350.27032	0.8
367.21179	1.9
367.24844	41.5
368.25192	0.8
392.33801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.248
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
51.50393	0.5
53.03903	1.3
55.01879	4.2
55.05515	21.2
55.05759	0.9
56.29771	0.5
57.03441	7.3
57.07043	0.8
59.04990	0.6
66.70100	0.5
67.05508	17.7
67.05853	0.6
69.03429	2.8
69.07073	20.9
70.97618	1.0
71.04946	1.3
71.08634	26.5
72.38368	0.5
76.05661	0.5
79.05496	14.2
80.51219	0.5
81.03429	4.1
81.07065	14.3
83.04979	3.7
83.08622	7.1
85.06537	1.0
85.10130	0.5
87.04460	0.5
91.05483	5.3
93.07049	10.2
95.04974	4.9
95.08606	6.8
97.06507	1.4
97.10175	8.9
99.04446	0.6
99.08099	19.7
103.03917	1.1
105.07029	5.3
107.04930	2.2
107.08591	8.4
109.06490	2.3
109.10168	5.5
111.04415	0.6
111.08049	1.9
111.11679	0.6
117.06993	2.2
119.08597	2.6
121.06460	2.3
121.10151	2.6
121.10831	0.5
123.08031	1.0
123.11655	0.8
125.09641	6.9
129.06990	0.7
131.08553	2.3
133.10089	2.3
135.08081	2.6
135.11674	2.3
137.09610	0.6
139.11150	2.3
145.10083	1.4
147.11670	1.5
149.09616	1.5
149.13239	1.6
151.11131	1.9
153.09070	0.8
157.10097	0.6
159.11656	1.7
163.11203	1.1
165.12738	1.4
167.10719	3.4
173.11728	0.7
173.13232	0.8
177.12810	3.0
177.16518	0.5
179.10725	1.0
187.82137	0.5
189.11218	4.2
193.12318	0.7
195.13893	0.7
227.12871	0.9
237.14848	0.5
247.20667	1.2
257.19073	0.6
265.21680	1.3
275.20081	9.9
275.22919	0.4
284.11163	0.5
292.83026	0.5
293.21118	100.0
294.21405	1.5
349.23785	0.8
367.24820	41.6
368.25287	0.8
378.87198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.0
55.01873	13.4
55.05513	47.6
57.03439	8.1
57.07081	4.0
59.05017	3.3
59.44579	2.9
63.97483	2.3
65.03893	2.5
67.05505	46.4
69.03432	4.3
69.07076	14.3
69.16018	29.3
71.04998	7.0
78.72497	2.6
79.05493	100.0
81.03412	3.4
81.07059	47.7
83.04985	28.0
83.08626	17.2
91.05481	42.1
93.07043	57.9
95.04967	7.2
95.08613	22.7
97.02864	3.5
97.06544	16.0
97.10172	19.5
102.48170	2.5
105.07030	48.1
107.04959	32.8
107.08598	66.3
109.06539	4.0
109.10162	23.9
111.08115	4.1
117.07011	16.7
119.08585	32.8
121.06539	4.4
121.10155	26.3
123.11724	4.1
125.09604	22.3
129.07053	4.3
131.08588	22.9
133.10144	27.7
134.92401	2.4
135.08044	11.3
135.11691	9.5
137.09636	2.7
143.08514	4.6
145.10123	18.1
147.11707	20.7
149.09633	60.3
151.11165	2.6
153.09113	7.1
155.08543	3.7
157.10126	5.4
159.11694	11.2
161.09593	4.1
161.13266	9.6
169.12241	6.8
171.10211	2.9
171.11679	5.9
173.11763	6.7
173.13225	6.5
175.11247	3.0
187.11299	4.4
189.11195	21.7
197.13249	3.4
209.15379	9.9
215.17928	3.2
227.12817	4.4
229.19603	8.9
239.18036	3.3
245.13933	6.5
247.20387	2.6
257.19019	20.6
275.20071	75.2
275.46164	2.8
349.23709	63.6
349.27585	5.4
367.25510	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	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.2
55.05520	23.6
57.07072	5.7
65.03941	7.1
67.05508	36.5
69.03440	6.4
69.07069	25.7
70.77760	9.1
71.05013	5.6
79.05503	36.3
81.07067	52.4
83.04980	6.4
83.08617	11.5
85.06528	6.0
89.75291	3.5
90.96179	4.7
91.05487	67.7
93.07050	82.9
93.86164	3.4
95.04973	34.0
95.08617	62.4
97.06525	14.7
103.05497	5.4
105.07033	98.4
107.08605	74.9
109.06503	13.3
109.10162	48.0
111.08086	9.9
115.05457	10.4
116.06125	3.8
117.07027	25.3
117.27142	3.6
119.08591	100.0
121.06512	12.6
121.10145	58.8
123.08068	7.0
123.11730	19.4
128.06219	12.9
129.07018	19.5
130.07765	11.4
131.08583	54.6
133.10139	61.7
135.08038	15.0
135.11717	23.9
137.09608	8.3
141.06999	8.1
142.07738	17.8
143.08557	35.5
144.09343	13.3
145.10133	69.9
146.07243	5.7
147.08049	10.5
147.11700	23.0
149.09625	16.1
153.06992	3.5
155.06180	3.9
155.08536	13.0
156.09323	15.4
157.10150	53.7
158.10890	7.3
159.08044	6.5
159.11713	39.2
160.12384	4.5
161.09644	42.3
161.13246	7.0
163.11166	4.5
165.07056	5.9
167.08612	6.9
168.09373	6.1
169.10152	24.6
170.10886	6.1
171.11646	23.9
173.09685	7.7
173.13263	38.5
175.11165	5.8
175.14809	28.4
179.08575	9.4
180.09407	4.7
181.10088	10.7
183.11694	18.5
184.12437	6.7
185.13229	13.9
187.11142	5.1
187.14839	18.1
189.12738	7.2
194.10910	10.7
195.11713	18.2
197.13275	14.6
199.11153	5.2
199.14867	15.6
201.16470	9.6
209.13271	26.7
210.14009	5.5
211.14842	11.3
213.12579	3.7
213.16283	6.3
221.13322	4.7
223.14745	8.8
225.12787	4.8
227.14307	26.8
237.16267	4.8
239.17967	8.8
243.32080	4.1
255.17490	8.8
257.18976	6.0
265.19586	5.1
267.17612	4.5
269.19003	6.4
293.18839	5.3
349.25232	12.1
367.26538	19.4
393.77341	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	367.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.0
55.05517	25.3
57.07076	14.6
59.04997	6.1
64.33313	4.6
67.05501	49.8
69.03446	7.3
69.07071	24.2
69.75001	22.9
71.04999	10.7
74.88773	4.3
78.57632	4.4
79.05506	41.7
81.07061	67.6
83.04984	7.3
83.08620	19.3
91.05482	59.0
93.07052	81.8
95.04960	36.6
95.08611	81.2
96.85986	4.4
97.06534	14.9
97.10189	4.8
99.08153	5.1
100.11291	9.3
105.07035	90.2
107.08609	67.4
109.06533	18.1
109.10175	46.0
114.12809	9.4
114.37910	4.4
117.07031	21.4
119.08591	100.0
121.06506	11.3
121.10138	47.4
123.08110	7.6
123.11709	15.1
128.06209	15.9
128.70074	3.9
129.07005	16.8
130.07913	5.8
131.08585	57.5
133.10123	63.4
135.08081	19.0
135.11681	21.9
137.09631	11.4
140.10707	9.9
141.10986	5.1
142.07817	23.3
143.08563	39.1
144.09349	11.7
145.10129	54.9
146.07260	6.8
147.08058	16.0
147.11690	22.3
149.09633	21.4
149.13289	6.7
155.08571	16.9
156.09412	12.7
156.13779	4.8
157.10138	54.0
158.10915	10.3
159.08073	9.5
159.11679	39.5
161.09608	53.0
161.13266	10.4
163.07677	4.8
163.11212	6.0
165.07013	8.8
167.08539	6.4
169.10133	15.3
171.11705	30.0
173.09674	7.6
173.13272	29.7
175.11183	9.4
175.14856	21.0
179.08640	7.4
181.10144	10.5
183.11740	15.4
185.13277	17.7
187.14839	17.8
194.10915	8.0
195.11717	18.8
196.12556	5.6
197.13292	21.2
199.14847	13.3
209.13229	24.9
211.14861	6.2
223.14920	7.7
227.14372	23.1
239.17950	9.9
253.19336	5.7
255.17516	10.5
265.19516	8.4
276.20428	10.0
308.23022	8.6
349.25446	15.8
367.26358	25.0
380.18036	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	367.2844
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
51.08310	1.0
55.01865	1.6
55.05512	11.3
56.51379	1.1
57.07077	5.3
59.05005	1.2
66.86619	0.9
67.05183	1.3
67.05515	15.2
69.03429	1.4
69.06731	1.6
69.07069	19.0
69.32818	1.1
71.04981	2.2
71.08633	12.1
71.54111	1.2
72.08148	2.3
72.74546	1.0
79.05501	7.9
81.07059	23.3
83.04956	1.7
83.08618	7.8
85.06554	3.5
91.05480	6.5
93.07040	11.0
95.04987	1.5
95.08609	21.3
97.06531	5.0
97.10160	3.1
99.08099	12.6
105.07034	8.4
107.08588	11.1
109.06541	6.7
109.10161	9.7
111.04444	2.1
111.08095	3.0
119.08559	9.4
121.06467	1.6
121.10147	7.5
123.08072	25.3
123.11694	3.9
125.06011	2.1
125.09571	1.6
131.08571	2.2
133.10126	9.7
135.08046	6.2
135.11679	4.6
137.09631	1.8
137.13257	2.6
139.07610	1.4
143.08560	1.9
145.10133	5.1
147.11699	4.5
149.09605	3.6
149.13261	3.7
151.14786	1.8
153.12747	5.8
157.10117	2.7
159.11694	4.2
161.13268	2.5
163.11201	1.8
163.14853	1.7
165.12720	2.4
167.14313	1.4
173.13303	1.4
175.14838	2.1
179.14320	31.4
179.15858	2.2
189.16386	2.2
191.14365	2.3
193.15881	2.2
195.13725	1.4
208.74814	1.1
219.17557	1.3
239.17880	1.2
251.20053	9.1
275.20096	1.3
293.21130	10.6
293.28387	4.3
303.26892	12.5
313.25195	2.5
321.27982	5.4
331.26306	44.6
349.27374	100.0
350.27640	1.8
367.28787	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	368.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01859	5.3
55.05516	8.2
57.03423	3.1
57.07072	2.0
61.13326	1.0
67.05508	10.8
69.03418	4.5
69.07084	5.6
70.06583	2.3
70.10506	2.0
70.10873	4.2
71.01349	2.5
71.04979	2.6
72.41415	1.1
74.02425	2.5
79.05502	9.9
81.03403	3.1
81.07063	7.4
83.04984	7.5
83.08615	1.9
85.02911	1.5
85.06547	23.2
85.21017	1.2
88.03997	9.3
91.05479	12.8
93.07047	10.8
95.04948	3.4
95.08623	5.3
97.02909	2.9
97.06519	3.1
102.51425	1.2
105.01854	1.3
105.07034	11.2
107.04929	3.2
107.08579	7.5
109.02903	1.2
109.06526	10.9
109.10152	4.1
111.04433	4.4
111.08091	1.7
115.05531	1.3
116.03444	2.3
117.07037	2.6
119.08582	26.5
120.08092	2.4
121.02894	1.9
121.10146	8.3
123.08046	4.4
124.07584	1.2
125.05972	1.2
127.03922	1.5
128.06203	2.5
129.06984	3.3
131.04895	1.4
131.08569	6.6
133.06468	2.7
133.10152	8.2
134.04518	11.1
135.08061	100.0
135.11679	3.7
137.06017	2.4
137.09554	1.5
139.11191	1.3
142.07803	2.7
143.08553	9.8
145.06490	3.6
145.10178	5.5
147.08066	36.2
147.11722	8.6
149.09627	30.8
152.05742	1.9
155.08568	1.6
156.09341	7.2
157.07454	1.1
157.10152	6.0
159.08060	2.5
160.08871	2.0
161.09618	6.9
161.13271	10.9
163.07549	17.7
163.11174	4.4
165.09093	1.6
167.10606	1.3
169.10165	1.2
170.04169	1.2
171.11682	13.4
173.09589	3.0
173.11777	1.3
174.10384	4.8
175.07567	12.8
175.11194	42.7
177.09105	3.0
184.08815	2.4
188.08301	2.4
189.09267	2.4
189.12752	49.1
191.10596	3.7
193.08594	1.7
193.12247	38.3
199.11162	7.9
199.13020	1.9
207.13826	5.2
209.11803	10.5
217.12251	78.4
227.12793	4.8
235.13309	52.7
241.14314	3.7
253.14325	2.4
283.15448	15.2
284.11343	9.2
286.72690	1.1
301.16541	6.2
304.15530	1.4
310.12985	1.7
324.14352	3.2
324.21768	3.5
332.14890	3.4
350.15982	47.8
368.17014	17.5
368.24454	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24597	0.7
50.27567	0.6
52.11949	0.7
53.03949	2.4
55.01865	2.8
55.05505	2.7
57.03439	5.7
57.07066	1.7
61.02927	9.5
64.06692	0.7
67.05510	2.4
69.03435	17.2
69.07067	11.3
69.19116	3.0
69.19537	4.2
71.04984	3.0
73.02922	3.6
79.05491	1.6
81.03424	6.7
81.07059	2.2
83.01303	0.8
83.08606	4.0
85.02909	100.0
87.04486	3.2
91.03966	7.9
93.07040	0.8
95.08595	0.7
97.02895	26.6
97.03528	1.3
99.04457	5.2
103.03948	0.9
107.08587	0.7
109.02888	6.2
109.10181	0.9
112.07629	0.7
119.08601	0.9
125.09616	1.0
125.13295	0.8
127.03924	27.3
130.08586	0.8
135.07988	1.1
143.14319	12.6
145.04967	51.1
163.03952	1.0
163.06017	10.0
180.08775	1.0
189.14928	2.1
268.52399	0.8
269.49518	0.8
277.21658	0.9
314.52786	0.8
368.24762	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01878	2.6
55.05513	15.3
56.96564	1.9
57.03431	2.5
58.06609	4.6
59.04971	0.9
60.04529	21.4
61.57808	0.7
67.05508	13.2
68.05015	1.3
69.03420	3.0
69.07069	12.7
70.06579	1.7
70.86144	1.8
70.86502	1.9
71.04999	5.4
72.04522	1.3
72.08146	1.0
79.05490	12.3
80.05012	1.2
81.03432	1.7
81.07058	13.9
83.04974	2.3
83.08608	8.8
84.08147	7.3
85.06540	2.0
86.09704	22.6
88.07631	3.4
91.05488	7.1
93.07048	13.0
95.04975	4.8
95.08602	7.2
96.08137	3.7
97.06552	6.0
97.10168	14.5
99.08138	0.8
100.07631	2.8
101.06033	1.0
105.07007	5.3
107.04996	1.7
107.08588	8.1
108.08118	1.3
109.06535	4.8
109.10154	3.9
110.06028	2.9
111.08112	1.3
112.06837	1.6
112.07607	23.7
113.06016	2.0
115.16173	0.8
117.07026	2.8
117.07813	1.0
118.06561	1.0
118.61350	0.9
118.77955	0.9
119.08590	5.7
121.06542	1.7
121.08990	0.9
121.09381	1.0
121.10144	7.1
122.09672	6.7
123.04433	2.1
123.08064	3.1
124.07594	2.0
125.09634	10.5
126.09175	1.0
128.10712	22.8
129.07089	1.2
130.08644	2.2
131.08591	4.3
133.10103	2.2
135.08058	1.9
135.11691	2.6
136.11246	1.3
137.09636	1.3
138.12798	3.2
143.08603	1.9
145.06479	1.6
145.10124	2.6
147.11700	1.2
148.11217	2.1
149.09584	1.4
149.13225	1.1
154.08649	6.7
156.10188	2.0
157.10037	1.7
159.11725	2.5
161.09634	1.5
172.09714	9.9
177.12779	1.5
180.13824	12.0
187.11183	1.0
189.11209	8.7
207.17429	1.3
208.13205	0.9
217.15915	1.3
221.15370	2.4
223.13310	4.3
231.09041	0.8
235.16922	2.7
268.15485	0.9
270.11050	1.8
272.20181	2.0
273.18427	5.7
290.21198	8.4
291.19537	6.9
308.22266	10.5
321.60223	0.9
332.22122	1.5
350.17166	1.0
350.18771	1.3
350.23276	20.9
368.18686	7.5
368.24326	100.0
369.24820	2.2
386.19128	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	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	48.2
57.07079	33.8
67.05504	79.2
70.04701	23.4
70.05022	100.0
77.03897	24.4
79.05465	57.3
81.07057	56.3
91.05460	68.9
93.07063	71.2
95.04991	52.6
95.08593	75.5
105.07032	94.1
106.07324	25.0
107.08614	25.5
108.08984	33.1
109.10150	50.5
119.08583	65.6
120.08915	49.8
121.10089	35.3
131.08623	52.2
132.09097	25.0
133.10175	33.1
134.10429	27.9
136.12048	26.7
145.10104	47.8
148.44720	21.8
157.10126	24.3
158.10757	30.6
160.12041	26.5
160.33359	21.9
161.13254	25.3
162.09894	30.2
164.41165	22.8
173.13173	27.0
176.11456	23.4
180.91833	22.1
210.13612	23.5
216.38089	22.5
327.07581	34.2
368.42471	85.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.7
55.01878	2.0
55.05516	4.8
57.03435	4.3
58.69960	1.2
59.05007	1.1
61.02928	5.8
67.05508	5.8
69.03430	20.7
69.07071	2.0
70.06596	1.3
70.63424	2.7
70.63763	1.5
71.04996	4.0
73.02924	3.8
79.05488	5.0
81.03436	8.1
81.07062	3.1
83.04981	7.5
85.02908	34.4
85.06549	3.5
87.04475	1.6
91.03969	2.3
91.05493	6.0
93.07052	9.3
95.04997	3.4
95.08614	19.2
97.02894	13.1
97.06569	1.8
99.04463	3.8
101.55865	1.3
103.05472	1.1
105.07037	21.1
107.08598	10.1
109.02883	8.0
109.06525	3.1
109.10182	2.3
113.06020	2.1
117.03387	3.5
117.07013	2.5
119.04937	3.7
119.07809	1.6
119.08595	16.2
121.06515	5.2
121.10160	8.8
123.08048	9.0
127.03925	7.4
127.04695	1.2
128.78818	1.1
129.07033	2.1
130.07791	1.2
131.08604	4.4
133.06516	3.9
133.10146	11.8
135.08066	4.9
135.11722	2.2
137.09630	4.5
140.07063	1.1
142.07800	1.7
143.08612	2.8
145.02861	9.3
145.04951	11.0
145.06520	1.1
145.10138	11.7
147.04431	1.4
147.08008	5.4
147.11707	7.8
149.05989	2.5
149.09625	34.1
149.13252	3.2
151.11189	14.1
156.09344	5.3
159.08066	4.8
159.11713	1.6
160.08830	2.8
161.09648	5.8
161.13249	8.9
162.10368	1.2
163.11188	33.9
165.12808	2.5
171.11720	8.3
173.13257	3.6
174.10400	11.3
175.03964	1.2
175.11191	1.4
177.05496	15.6
187.11188	1.2
189.12752	61.4
191.14320	71.9
207.06526	1.8
207.13809	100.0
208.14142	1.4
369.19424	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.2
55.01888	1.4
55.05514	3.1
57.03439	3.8
59.03578	1.4
59.05008	1.6
60.38466	1.2
61.02918	4.6
67.05499	4.9
69.03430	20.8
69.07076	2.8
70.06595	4.0
70.86535	2.1
70.86879	2.7
71.01346	3.5
71.04990	5.1
73.02915	3.7
79.05490	4.6
81.03423	10.3
81.07068	3.7
83.04991	7.3
85.02911	44.8
87.04475	2.5
91.03948	2.4
91.05488	26.4
93.07070	7.6
95.04969	3.3
95.08612	4.1
97.02898	16.4
97.06521	2.6
99.04461	4.1
99.96098	1.5
100.90481	1.3
105.03396	18.1
105.07049	20.0
107.04969	3.0
107.08633	7.9
109.02901	11.5
109.06511	3.8
109.10162	3.0
117.07015	1.8
119.04919	3.5
119.08591	15.7
121.06516	6.5
121.10172	9.3
123.04449	2.6
123.08080	10.0
127.03928	9.8
127.44464	1.4
131.08574	4.6
133.06490	6.9
133.10149	16.7
135.08066	5.3
135.11697	2.3
137.06024	2.9
137.09602	7.3
140.67270	1.3
141.01877	2.4
143.08597	6.6
145.04985	12.1
145.10130	10.8
147.08063	7.4
147.11725	7.4
149.09634	41.4
149.13252	2.6
151.03911	7.1
151.07622	2.0
151.11194	27.0
155.15857	1.7
156.09329	6.2
159.08040	8.4
159.11708	1.8
160.08736	1.5
161.09636	7.9
161.13245	10.3
163.11200	34.6
165.12717	1.6
171.11725	10.0
173.13260	3.1
174.10417	20.0
179.07069	4.4
179.10632	4.0
189.12761	82.9
191.14323	53.7
191.17070	1.6
193.08676	3.6
205.12157	1.7
207.06532	3.4
207.13823	100.0
208.14267	2.6
229.14481	1.8
369.19376	4.9
388.41373	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32384	0.5
53.03936	1.3
55.01864	5.4
55.05511	6.5
57.03443	3.6
57.07064	0.6
67.05502	6.2
69.03442	1.0
69.07070	5.4
69.67493	1.6
69.67912	1.4
71.08659	0.6
79.05501	6.5
81.07058	29.0
83.04979	3.4
83.08627	3.0
85.06521	0.7
91.05463	3.7
93.07054	6.0
95.04939	1.2
95.08608	7.4
97.06517	2.8
98.20785	0.6
105.07023	3.6
107.08597	5.1
109.06522	11.3
109.10159	3.7
111.04444	18.0
111.08071	1.6
115.66618	0.5
117.07024	1.3
119.08594	4.7
121.10140	5.6
123.08077	2.6
123.11723	1.7
125.05990	5.8
131.08557	2.2
133.10136	6.2
135.08025	2.8
135.11681	4.6
137.05981	100.0
137.13266	1.5
139.07576	1.0
143.08519	1.2
145.10159	2.0
147.08012	2.0
147.11700	6.3
149.09607	5.3
149.13269	2.1
151.06445	0.5
151.07509	3.4
151.11218	0.9
156.97443	0.6
157.10153	2.7
159.11711	1.4
161.09642	5.9
161.13258	2.4
163.11194	3.0
163.14893	0.9
165.09190	2.7
165.12749	1.0
167.10632	1.0
171.11761	1.5
173.13260	1.0
175.11186	6.0
175.14828	0.9
177.12801	0.9
179.10692	2.4
185.09624	0.6
185.13234	0.9
189.12776	2.1
193.12332	1.1
203.17969	6.2
213.16402	3.0
221.19019	2.0
223.14790	0.8
231.17442	8.7
241.15855	1.2
249.18509	13.1
262.99112	0.6
277.17996	86.5
278.18381	2.1
295.19046	10.2
313.61404	0.6
351.21649	13.7
369.22601	9.8
374.86203	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2427
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
50.15390	7.5
53.03942	11.9
55.01855	9.1
55.05516	41.7
57.03431	13.5
57.07071	20.6
67.05512	61.5
69.07061	25.0
71.05003	14.0
79.05508	41.5
81.03352	8.4
81.07057	66.3
83.04964	12.8
83.08619	18.4
85.06562	15.8
91.05462	45.8
91.86324	9.9
93.07047	71.9
95.04971	68.0
95.08627	49.3
97.06513	31.7
97.10113	9.9
105.07025	44.0
107.08601	50.8
109.06519	22.3
109.10152	37.0
111.08088	12.0
113.06017	9.5
117.07018	18.3
119.08589	38.1
121.10140	37.7
123.08057	17.7
123.11724	12.1
125.09644	10.1
129.06955	15.2
131.08632	44.6
133.10097	39.3
135.08034	22.8
135.11679	15.9
137.09618	17.9
142.07817	9.4
143.08597	18.5
145.10124	31.6
146.72655	8.4
147.08073	11.0
147.11641	16.8
149.09608	13.5
149.13252	13.0
151.11208	20.0
155.08554	9.5
157.10086	31.4
159.08070	13.5
159.11688	21.9
161.09621	42.5
165.12756	13.5
167.08539	11.3
169.10094	13.9
171.11699	22.2
173.09578	17.0
177.12743	12.2
183.11789	18.1
185.13219	17.5
187.11143	17.4
187.14886	10.7
189.12708	15.6
195.11748	14.1
195.13731	9.3
197.13321	14.1
199.11095	9.1
203.14307	20.2
207.11737	15.7
209.13222	12.1
211.14816	11.4
213.12756	13.9
221.15485	12.2
223.14740	11.7
224.49791	9.5
233.13341	12.4
269.17468	27.1
277.21326	21.0
285.87674	8.4
293.18939	17.2
295.22623	16.8
309.22134	16.4
311.19864	10.9
327.23364	14.6
333.21594	10.2
351.23291	35.9
369.23956	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.8
55.01863	4.8
55.05518	29.8
57.03444	34.3
57.07063	9.1
60.09903	4.1
67.05510	74.1
69.07074	30.6
70.13213	12.4
70.13611	10.2
71.04992	6.7
71.08620	19.8
79.05505	62.0
81.03422	8.0
81.06594	5.7
81.07064	93.5
83.04975	13.1
83.08632	22.9
85.06532	10.6
91.05491	49.0
93.07053	87.2
94.07423	4.6
95.04969	20.2
95.08612	65.3
97.06538	11.9
97.10181	9.4
99.08112	21.7
105.06518	4.2
105.07054	50.6
107.08612	55.8
109.06519	9.6
109.10186	28.4
111.08052	6.0
117.07023	19.6
119.08591	35.7
121.10157	51.4
123.08089	13.3
123.11700	9.5
125.09630	10.9
128.06215	5.3
129.07043	10.5
131.07074	7.1
131.08614	29.4
133.10159	39.7
135.08017	5.0
135.11693	43.2
137.09633	7.3
141.07014	5.2
143.08560	5.5
145.10130	29.2
147.11702	29.9
149.09558	4.4
149.13249	14.9
149.14363	5.4
151.07571	4.8
151.11151	17.3
157.10124	19.8
159.11702	19.7
161.13286	21.0
162.22124	4.5
163.11130	5.7
169.10005	4.9
171.11661	8.3
173.13240	10.4
175.14851	10.0
179.14372	53.4
183.11636	4.1
185.13272	14.1
187.14792	20.3
189.12714	13.9
199.14870	7.8
205.15852	6.7
221.18990	10.6
241.19516	17.2
259.20679	30.2
277.21631	73.0
333.24225	5.0
351.25296	100.0
369.03842	5.1
369.24167	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01869	10.7
55.05516	47.4
57.03444	24.3
57.07062	7.7
58.03772	2.0
59.04995	2.5
61.02930	12.7
64.22207	1.9
65.03936	2.7
67.05511	84.8
69.03438	17.9
69.07076	62.7
69.68683	10.4
70.03746	5.2
70.07397	4.4
71.04983	7.5
71.08638	21.4
78.24193	1.9
79.05070	2.7
79.05499	36.6
81.03421	15.0
81.06595	3.6
81.07064	70.5
82.03742	2.1
83.04984	11.4
83.08626	31.8
83.72257	1.7
84.08979	2.1
85.02914	100.0
85.06534	5.9
86.03242	31.0
87.04487	2.4
91.03945	8.2
91.05486	29.3
93.06490	2.6
93.07053	40.7
95.04433	2.1
95.04974	11.7
95.08611	37.2
97.02892	22.7
97.06534	14.0
97.10171	17.0
98.03238	9.8
99.04449	8.3
99.08096	18.3
105.07034	23.5
107.05015	2.1
107.08613	21.1
109.02879	5.8
109.06525	5.7
109.10171	30.9
110.03248	2.5
111.08091	9.6
112.16385	2.3
113.09677	2.7
117.07016	4.3
119.08609	26.6
121.06464	2.4
121.10149	22.1
123.08074	6.7
123.11710	7.5
125.09615	11.6
127.03940	22.6
128.04286	9.2
129.07007	2.7
131.08568	6.8
133.10139	14.9
135.08046	5.9
135.11699	14.8
137.09654	10.3
139.11208	11.9
143.14304	7.3
144.14703	11.7
145.04973	34.6
145.10132	8.1
146.05292	19.8
147.11713	20.6
149.09680	3.3
149.13298	10.4
150.47919	2.1
151.11192	14.1
153.12717	4.1
155.10652	3.1
157.10126	2.9
159.11681	4.3
161.09599	4.6
161.13251	7.8
163.03922	5.1
163.06041	4.3
163.11177	6.1
164.06358	3.1
165.12749	12.3
171.11595	2.9
173.11795	14.7
173.13113	3.6
175.11252	3.5
175.14874	3.4
177.12816	2.8
179.14336	6.7
179.42303	1.9
185.13194	3.0
187.11162	1.9
189.11252	10.1
193.12241	3.7
194.27216	2.1
195.13814	2.3
227.12697	2.3
229.14377	8.3
231.21025	2.9
241.19582	4.8
249.22173	4.5
259.20612	6.0
277.18826	3.9
277.21646	52.8
295.22839	11.4
337.00165	2.0
339.52692	1.9
351.25357	19.6
358.75778	2.0
369.22321	28.5
369.26413	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01859	3.4
55.05513	14.1
57.03435	4.4
57.07059	2.7
67.05182	2.4
67.05510	33.7
69.07067	11.5
70.04635	7.3
71.04987	2.0
71.08634	30.1
79.05074	2.4
79.05495	32.6
81.03418	4.4
81.07060	39.4
83.04980	7.9
83.08607	6.6
85.06493	2.1
91.05473	18.6
93.06487	3.4
93.07047	49.3
93.07638	2.6
95.04939	8.6
95.08607	30.3
97.06526	6.4
97.10165	3.5
99.08093	23.6
104.33267	1.7
105.07037	17.6
107.04940	4.4
107.08595	27.1
109.06546	3.6
109.10161	10.7
113.09644	3.3
117.06982	3.2
119.08589	12.1
121.10144	22.7
125.65037	1.6
129.07039	2.2
131.08554	5.0
133.10133	9.9
135.11702	33.3
137.09653	3.7
141.00920	1.7
141.09085	3.3
143.08612	3.6
145.10153	3.2
147.11688	5.4
149.13252	10.1
151.11197	10.5
159.11685	3.5
161.13266	11.7
163.11201	4.5
165.12756	2.4
167.35504	1.6
173.13181	1.9
175.14821	2.1
177.12793	3.0
179.14319	100.0
185.13248	3.3
189.12845	2.7
235.16954	4.9
241.19550	2.9
259.20679	5.3
277.21625	54.7
351.25317	69.9
351.29678	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	369.2633
Annotation	Cortol
Peak:m/z	Relative Intensity
52.48726	1.7
55.01863	4.3
55.05510	14.5
57.07072	5.0
65.03919	2.1
67.05508	20.3
69.03426	5.6
69.07069	18.1
71.04985	2.5
71.08637	18.0
71.53436	1.8
79.05491	17.2
81.03441	3.1
81.07058	27.7
83.04964	2.8
83.08614	5.1
85.06528	2.0
91.05468	12.0
93.07048	21.7
94.21243	1.8
95.04978	14.9
95.08606	24.7
97.06519	6.7
97.10150	4.7
99.08095	10.9
105.07035	17.4
107.08588	19.9
109.06516	27.0
109.10137	7.5
111.08078	3.8
117.07004	4.6
119.08553	14.8
121.06524	12.6
121.10138	11.1
123.08067	5.5
123.11730	4.1
125.09626	3.1
131.08583	7.7
133.10129	7.0
135.08054	7.0
135.11717	4.8
137.09584	3.5
139.11176	5.2
142.07828	2.1
145.06512	2.3
145.10130	6.5
147.08002	1.9
147.11745	9.1
149.09654	5.1
149.13292	3.5
151.11218	2.7
157.53796	3.0
159.08090	2.3
159.11708	4.5
161.09714	2.2
161.13237	7.0
163.11166	7.0
163.14725	3.4
165.12766	54.3
173.13330	3.7
177.12773	10.4
179.14264	2.4
181.15875	11.2
184.07317	2.2
187.14769	3.0
191.14328	5.1
210.54169	2.0
233.15550	1.9
261.22119	22.3
271.20538	3.3
277.21579	7.7
279.23102	4.2
289.21625	78.8
300.99393	1.8
307.22653	25.6
333.24261	40.8
351.25357	100.0
369.24185	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.9
55.01870	11.1
55.05269	4.9
55.05515	57.8
57.03441	23.4
57.07076	8.3
65.03943	4.0
67.05510	94.4
69.03423	4.4
69.07069	32.9
69.24599	29.0
71.05003	4.5
71.08633	34.8
73.96712	2.9
79.05500	64.2
81.03423	10.8
81.06590	5.8
81.07059	100.0
83.04972	14.6
83.08628	33.1
85.06539	6.9
88.01919	3.1
89.93395	2.8
90.51731	3.1
91.05481	47.8
93.07053	85.0
94.07388	3.0
95.04985	22.5
95.08610	51.0
97.06545	12.8
97.10178	15.9
99.08082	25.4
105.07032	32.6
107.08595	42.9
109.06556	8.3
109.10172	24.6
111.08096	9.7
113.09711	5.4
117.07014	10.2
119.08585	25.8
121.10150	24.7
123.08096	5.7
123.11726	9.1
125.09647	14.7
129.07021	4.7
131.08585	18.7
133.10152	20.2
135.08047	4.7
135.11690	21.3
137.09634	5.7
138.74690	2.7
139.11185	6.3
143.08542	5.4
145.10133	11.1
147.11708	22.6
149.09634	6.8
149.13272	20.4
151.11191	43.1
153.02594	3.7
157.10161	4.4
159.11751	12.9
161.13333	19.5
163.11191	11.8
165.12758	9.2
171.11748	3.6
173.11771	10.1
173.13202	5.4
177.12770	6.4
179.14322	14.4
179.16754	3.3
185.13264	4.1
187.14793	5.3
189.11256	12.4
193.11951	3.5
193.15897	3.1
195.13832	11.9
207.13727	3.4
227.12791	13.0
233.11598	3.8
241.19666	5.4
249.22151	5.3
253.18083	7.4
259.20676	14.7
269.17511	41.8
277.21637	70.9
295.22745	8.7
303.12003	2.8
349.22006	3.2
351.25314	50.0
357.21109	3.4
369.26706	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.6
55.01866	8.9
55.05271	4.1
55.05517	52.0
57.03443	19.1
57.07063	9.1
62.35972	2.8
65.03931	5.8
67.05511	97.1
69.03423	3.5
69.07069	32.7
71.04984	7.4
71.08633	30.4
79.05074	5.0
79.05496	61.2
79.74373	2.9
81.03414	15.0
81.06591	5.6
81.07063	100.0
83.04996	16.6
83.08615	31.9
85.06536	7.0
91.05489	39.5
93.07050	79.4
95.04974	20.6
95.08056	4.5
95.08618	51.0
96.50469	3.0
97.06544	15.7
97.10167	13.3
99.08111	26.4
105.07038	36.0
107.04952	5.4
107.08594	41.5
109.06515	10.1
109.10163	24.0
111.08064	7.8
117.07018	8.4
118.98019	5.0
119.08588	26.0
121.06509	3.0
121.10152	26.7
123.08080	7.0
123.11690	5.3
125.09636	12.0
129.07008	7.5
131.08606	13.9
132.99596	3.8
133.10159	24.7
135.08025	6.6
135.11711	21.8
137.06023	14.1
137.09666	3.9
142.98030	4.6
143.08531	7.0
145.10114	14.4
147.11714	16.6
149.09593	3.8
149.13275	22.2
151.11186	41.8
157.10141	5.3
159.11676	15.1
161.13289	15.5
163.11171	10.0
163.14812	6.3
165.12726	9.4
165.93593	2.6
167.14256	3.7
171.11673	5.2
173.11720	11.7
173.13156	5.1
175.11147	4.2
175.14900	7.7
177.12767	11.3
179.14310	10.7
185.13249	6.2
189.11183	8.1
195.13789	15.9
214.91821	2.7
215.43037	2.5
227.12766	7.9
231.17439	4.0
231.21101	5.0
231.41257	3.0
241.19467	9.1
245.13907	6.5
249.22255	3.5
253.18103	4.9
259.20514	13.1
269.17459	58.7
277.18353	7.2
277.21591	68.4
295.22556	2.9
351.25375	52.0
369.13358	4.6
369.26544	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.4
55.01868	7.3
55.05515	29.9
57.03436	30.1
57.07081	5.4
59.04986	3.7
65.03958	3.3
67.05507	85.6
68.30434	3.0
69.07071	28.7
69.36671	3.0
69.37026	25.6
71.04993	6.0
71.08626	23.5
79.05070	5.7
79.05495	67.2
81.03397	5.6
81.06598	5.2
81.07059	86.4
83.04974	9.6
83.08631	16.0
84.08147	3.6
85.06548	6.3
91.05484	46.5
91.49295	3.0
93.06483	5.8
93.07047	81.4
94.44292	3.4
95.04955	13.8
95.08609	67.7
97.06506	11.2
97.10163	12.5
99.08108	25.7
100.43236	2.6
105.07029	42.8
107.04975	3.9
107.08603	61.3
109.06519	10.4
109.10176	28.3
111.08080	8.1
113.09641	5.0
117.07009	13.2
119.08581	36.1
121.10145	50.0
123.08058	7.5
123.11725	7.7
125.09600	5.2
129.06999	12.8
131.07047	7.8
131.08586	34.1
133.10126	37.7
135.11694	47.4
137.09604	6.5
141.09251	3.9
142.07838	3.7
143.08578	13.8
145.10133	21.5
147.11699	24.4
149.09570	3.3
149.13303	21.0
151.07562	5.0
151.11165	14.4
151.80258	2.9
153.84293	3.2
157.10123	11.3
159.11676	21.8
161.09653	4.1
161.13321	15.2
163.11186	8.8
163.14745	4.0
165.12700	4.4
169.10141	6.4
171.11670	10.1
173.13275	6.6
175.14842	5.5
177.12816	4.9
179.14330	55.5
185.13232	12.0
187.14832	18.4
189.12766	6.2
199.14725	6.1
205.15898	7.0
213.16502	4.7
216.10759	3.0
219.17369	3.0
221.18939	6.2
241.19481	10.6
259.20581	30.2
263.99631	3.3
277.18460	4.1
277.21616	84.7
295.22925	3.4
351.25311	100.0
369.24451	13.4
369.28107	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	370.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.7
55.01870	12.5
57.03444	13.7
61.02924	11.7
69.03430	42.5
71.04996	5.0
71.51488	4.6
72.93797	3.4
73.02927	7.5
73.30973	2.8
81.03403	6.6
81.76745	2.8
85.02907	100.0
85.48312	2.8
86.03236	4.2
97.02898	29.4
99.04463	12.7
109.02875	7.1
112.07630	6.0
119.01944	4.2
127.03925	55.5
130.08611	3.6
132.95845	22.4
143.01907	4.7
143.03386	3.4
144.95824	4.4
145.04979	34.7
150.96869	4.2
158.06673	9.4
158.97404	4.3
161.02917	3.7
162.96873	4.0
168.95837	3.7
169.03474	3.5
170.06660	5.0
170.97536	3.9
173.97322	4.2
174.96907	27.2
176.07639	3.7
185.03021	3.8
185.97365	3.1
186.96906	21.6
187.04288	3.4
188.07652	14.6
188.82765	2.9
192.08759	3.0
198.96959	14.6
199.02214	3.9
208.03983	6.0
210.96953	11.1
212.07692	13.3
214.07425	6.3
216.98000	11.9
234.99039	21.4
245.05200	3.7
269.13541	3.6
275.06323	4.7
276.00464	4.8
276.06375	3.9
276.97418	4.0
277.00113	41.7
281.13544	7.4
289.00119	6.6
295.01202	11.3
307.01193	14.8
317.05109	4.8
355.03140	4.2
358.70480	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.9
57.03434	5.2
57.07078	70.4
61.62771	0.9
69.03426	1.0
69.85094	2.8
69.85502	1.6
70.06590	1.9
71.01366	1.1
72.08144	1.2
73.02905	2.6
79.56017	0.8
80.16705	0.8
80.27695	0.8
84.04495	0.9
84.08153	1.3
85.02911	8.4
85.06545	60.5
86.09693	1.3
93.07085	0.9
95.01336	6.5
95.08592	1.3
97.02863	1.0
99.00846	0.9
103.07587	9.1
113.02370	4.1
126.12859	0.8
127.03938	1.6
128.93683	0.8
131.03415	1.2
141.01834	17.7
151.03940	0.8
152.05673	0.8
159.02876	3.6
159.10176	100.0
160.10570	0.9
166.05042	1.3
166.08623	0.9
177.11235	81.4
181.05017	0.9
195.14900	1.0
198.15070	1.3
208.06071	1.8
238.02858	1.4
243.08647	1.1
273.43390	1.0
317.12540	1.4
335.13474	1.4
370.19678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.6
56.09214	2.1
57.03427	2.8
59.05017	2.9
67.50695	1.9
69.03435	13.0
69.04619	2.2
69.39027	2.4
70.06596	6.4
71.05003	3.1
71.50879	3.9
73.02933	3.0
76.22652	2.3
81.03420	13.1
83.54356	2.2
85.02911	75.5
87.04467	2.4
97.02903	23.0
97.06532	7.5
99.04458	38.7
103.03951	86.5
104.20009	2.2
109.02908	17.6
124.61292	2.2
127.03922	100.0
135.28439	2.2
136.06186	2.4
145.04973	63.3
153.93941	2.2
163.06030	56.9
187.06000	3.7
227.54008	2.0
271.08170	6.4
289.09180	7.2
307.10239	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	370.171
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18567	1.0
52.25455	1.0
53.03938	1.8
55.01858	1.5
55.05505	1.2
56.01525	1.0
57.03439	5.4
57.06791	1.3
57.07077	23.3
59.04999	2.0
60.08155	2.6
60.45366	0.8
64.85841	0.9
67.05505	2.4
67.46181	0.9
69.03411	4.3
69.07070	12.8
70.06574	2.3
71.51093	1.5
72.08155	1.4
73.02907	3.4
75.04474	1.2
79.05493	8.0
81.03417	2.7
81.07050	1.8
84.04474	1.0
85.02915	9.0
85.06547	25.6
86.09713	8.7
87.00840	1.7
87.04449	3.6
91.05476	2.1
95.01316	3.7
95.05010	1.4
96.08131	2.6
97.02891	3.9
97.06534	100.0
98.97600	1.2
101.02383	11.5
103.07578	3.5
105.01833	2.4
105.07021	1.2
109.02872	1.7
111.08053	1.8
116.07174	1.3
117.03381	1.2
124.99957	5.9
127.03906	6.8
129.09125	8.6
133.05009	1.0
137.02264	1.3
137.05971	2.4
141.01833	4.1
143.03410	3.4
145.02818	2.3
145.04836	1.2
146.03203	1.8
149.05965	1.0
151.03867	1.4
153.05446	1.4
159.10176	40.1
161.04437	4.0
163.03851	1.6
165.05475	2.5
165.09290	1.1
168.50677	1.0
169.04898	1.9
177.05482	3.1
177.11220	21.5
178.05803	3.1
181.08568	3.3
184.07362	2.5
189.03947	1.2
194.18353	1.2
197.04422	1.3
197.08107	1.3
208.99121	1.2
219.10399	1.2
225.07512	3.5
234.99025	2.4
285.09482	2.5
370.19815	13.4
371.04294	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	370.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01859	3.5
55.05269	2.5
55.05513	32.8
56.05017	2.9
56.96553	1.7
57.03424	2.1
57.07060	2.2
58.06602	2.7
65.03961	1.9
67.05509	34.3
69.03424	6.6
69.07075	76.3
70.02937	1.5
70.06570	1.8
70.07397	1.6
71.04990	2.5
71.51994	2.0
72.04491	1.4
79.05070	2.5
79.05500	32.7
80.05022	15.2
81.03404	5.1
81.05783	2.4
81.06593	1.9
81.07066	32.5
83.04968	5.8
83.08629	25.9
84.08122	1.5
85.02903	6.2
86.09723	1.5
91.05479	24.1
93.07052	20.8
94.06575	15.5
95.04948	4.6
95.07369	2.2
95.08613	25.8
96.08118	3.6
97.02905	3.3
97.06553	8.0
97.10178	37.1
99.04456	3.2
99.08118	1.6
99.93002	1.5
103.03919	2.6
105.07042	28.7
106.06620	2.9
107.04973	4.5
107.08596	34.6
108.08115	2.9
109.02863	1.9
109.06503	1.8
109.10155	9.8
110.06051	1.9
111.08058	3.3
114.09184	9.0
117.07013	4.4
119.04939	1.6
119.07904	2.0
119.08590	17.1
121.06474	2.2
121.10139	11.9
123.08075	4.8
123.11687	2.7
125.08794	1.3
125.09639	36.4
127.03899	4.9
131.08577	7.1
132.10220	17.0
133.10133	17.9
133.54984	1.8
135.08015	5.9
135.11694	5.2
137.09612	1.9
143.00035	1.9
143.08546	2.8
145.04875	1.9
145.10135	7.8
147.08101	2.1
147.11688	9.7
149.09583	11.0
150.12837	2.3
153.09077	3.2
157.10158	3.4
159.11690	7.2
161.13278	8.8
163.11200	5.0
163.14935	1.7
167.10762	2.0
169.10149	2.3
171.10172	3.5
172.13271	4.5
173.11743	1.7
173.13187	4.2
177.12706	4.2
179.14336	8.0
189.11234	49.7
189.12773	2.0
191.14305	2.9
195.13770	1.5
204.13812	6.0
209.13744	1.7
222.14854	11.5
223.15536	2.7
227.14738	3.5
229.19475	2.9
239.17966	3.6
257.19019	5.2
274.21555	4.2
275.20084	50.2
292.22720	100.0
293.21082	5.5
310.23871	2.9
315.93909	1.5
337.68811	1.8
352.24985	5.9
357.02380	1.7
360.82230	1.6
370.20523	3.5
370.25876	6.0
371.20798	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56996	3.3
55.05505	15.4
56.96558	6.4
57.03416	5.8
57.07082	4.3
60.04520	28.0
62.06084	14.4
62.95465	2.9
67.05505	28.0
69.03409	8.5
69.07079	25.1
71.04983	3.3
79.05499	23.6
81.03409	4.6
81.07074	29.9
83.04987	4.0
83.08611	10.8
84.04496	7.7
85.02920	7.3
86.06084	4.7
87.04465	3.7
91.05480	30.1
93.07043	26.5
94.06596	6.8
95.04971	10.5
95.08597	25.0
97.02919	3.8
97.06510	8.0
97.10175	9.2
98.97586	4.6
105.07042	29.1
107.08573	22.5
108.08135	3.8
109.06517	7.7
109.10174	11.5
117.07047	7.4
119.08592	57.2
121.10146	14.3
123.08024	7.5
125.09574	7.6
127.03924	5.0
129.06990	3.9
131.08595	8.1
133.10136	20.3
135.08055	12.2
137.09608	4.9
138.01843	3.3
138.12833	3.7
145.10109	13.3
147.11679	11.9
149.09641	10.8
157.10117	6.2
159.11769	9.4
161.09665	6.4
161.13174	3.9
163.11142	6.2
165.12799	7.2
173.13216	3.4
177.12732	8.3
180.13872	4.5
189.11200	7.5
191.14326	6.6
219.01772	4.3
238.17780	3.6
239.18011	7.2
257.18939	8.3
261.10739	4.2
274.21646	9.4
275.20044	54.2
292.22656	35.1
316.22791	5.3
329.11630	5.8
334.23721	15.1
352.21155	3.7
352.24820	100.0
365.88608	3.4
370.25989	6.6
371.20483	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	370.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38729	74.6
55.12627	82.0
65.18302	71.6
67.05495	92.5
69.29503	86.1
71.53784	79.7
84.08118	93.2
93.07085	82.4
145.53551	78.7
162.22107	78.3
181.44145	82.2
211.11240	93.9
331.49109	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97328	54.7
70.97662	100.0
71.70647	50.6
131.08508	77.3
166.75119	50.6
236.17320	52.8
270.38467	46.2
352.54868	50.2
363.98160	58.8
370.40405	76.5
378.93839	58.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.9
55.93516	3.6
56.94304	5.5
57.07078	1.2
62.46545	0.9
67.05504	0.9
69.03419	3.7
69.03768	0.9
70.06548	1.9
70.95853	4.3
71.51185	1.2
71.92990	1.5
72.93787	13.4
73.04755	5.1
74.95319	2.1
80.36059	0.8
81.03405	3.3
85.02898	2.7
86.95345	1.3
89.94057	1.2
90.94834	8.4
91.05474	10.4
91.05879	3.5
95.04973	1.3
97.02894	5.5
101.05994	1.2
102.94791	1.7
105.71958	0.9
108.95893	2.2
111.04465	1.1
116.96364	1.1
118.94267	1.1
119.04931	6.2
119.16635	1.0
123.04457	6.6
127.03884	1.5
128.96350	2.6
130.97906	1.9
132.95856	12.6
136.95291	2.1
137.05981	31.9
140.96313	2.7
144.95831	6.7
146.97446	2.1
148.98924	0.9
150.96875	3.1
152.96365	1.1
154.01949	1.0
156.77434	0.8
156.95822	1.5
158.96078	1.6
158.97395	26.1
162.96840	2.1
168.95821	3.3
170.83812	1.1
170.89539	1.0
170.97452	2.1
174.96948	2.2
176.98482	10.5
178.97868	2.4
182.97525	0.9
186.96877	5.3
188.98470	2.3
190.96391	0.9
190.97887	2.0
194.97398	4.7
195.97768	2.4
198.96875	5.2
204.98029	2.4
207.98189	1.0
208.98981	33.8
212.98482	4.3
216.97971	14.0
222.96869	2.7
225.99268	1.9
227.00015	38.0
228.27113	0.9
234.99010	45.7
236.98532	2.0
238.99957	2.2
240.97479	1.5
243.93700	1.0
245.01073	0.9
251.00056	7.1
252.99980	3.0
258.00641	1.7
259.97565	3.5
263.00015	6.1
266.99802	1.7
268.97995	1.6
269.01050	6.7
277.01526	1.9
281.01071	5.0
283.02783	1.3
285.00931	4.0
286.99966	7.4
293.00992	3.4
295.02646	2.6
305.01071	13.9
309.89185	1.0
311.02209	1.0
323.02051	1.3
335.02182	1.3
341.03067	1.4
353.03149	9.8
355.07095	4.6
371.04196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01863	6.4
57.03423	5.3
57.07065	2.0
61.02921	2.8
67.05481	2.3
69.03431	16.5
70.06575	7.0
71.04969	2.5
73.02894	4.2
73.04771	9.4
81.03421	18.3
85.02913	40.6
86.09697	2.1
87.00835	15.2
91.05805	15.5
97.02892	16.1
99.04446	7.6
101.06033	3.8
103.03933	2.2
105.01854	9.4
106.94850	1.5
107.08611	1.8
109.02870	14.3
109.10093	1.7
111.04443	2.7
117.01875	3.1
120.77040	1.5
123.04436	100.0
127.03940	26.8
129.01807	2.6
129.05464	2.8
145.04947	12.8
147.06483	2.4
159.02890	11.0
163.03894	2.6
209.04553	2.3
230.14040	1.8
231.05014	3.3
246.12953	1.9
268.97855	3.9
275.56586	1.9
285.00961	7.2
289.31201	2.0
347.06781	1.9
355.06918	8.4
371.12857	2.3
371.17007	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	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	10.3
55.01871	7.4
55.05514	11.1
57.03437	5.3
65.03915	1.5
67.05500	15.4
69.03435	31.5
69.07069	22.7
71.04999	10.0
71.08010	3.0
79.05492	24.1
81.03423	100.0
81.07059	42.7
83.04980	4.6
83.08604	2.0
85.02908	13.6
85.06550	8.6
86.55382	1.6
87.04467	1.5
91.05463	16.5
93.07048	68.1
95.04947	12.0
95.08603	18.3
97.02891	6.5
97.06538	16.1
97.10161	3.8
99.04450	15.7
99.08080	7.7
101.06005	2.3
105.07043	29.3
107.04960	5.3
107.08597	45.1
109.02888	37.1
109.06516	18.3
109.10160	19.9
111.04442	3.0
111.08082	15.3
113.06013	2.6
115.05506	1.5
117.07021	5.0
119.08601	13.0
121.06507	12.9
121.10141	32.5
123.08061	5.9
123.11692	4.8
125.09622	10.9
127.03923	56.0
127.07552	2.9
127.11254	1.5
129.05444	1.5
131.08578	4.3
132.05728	1.7
133.10130	5.8
135.08073	10.8
135.11684	11.5
137.05945	1.7
137.09651	3.8
139.06348	1.4
139.07512	2.1
139.11208	8.9
143.08568	2.7
145.04926	1.5
145.10139	25.8
147.08009	3.2
147.11694	6.4
149.05968	1.7
149.09619	26.9
150.91852	1.8
151.06453	1.4
151.07581	4.4
151.11186	2.3
153.09062	3.4
159.68649	1.6
161.09622	1.8
163.03940	2.1
163.11189	60.6
163.12564	3.0
165.09155	4.1
165.12758	1.9
167.07115	2.4
167.10675	37.8
169.08624	19.2
169.12265	6.3
173.09610	5.1
181.12242	13.6
185.11751	3.0
187.06056	5.5
191.10683	33.8
192.07835	2.8
198.26099	1.4
209.11716	17.0
211.15054	1.5
227.12799	26.0
232.70601	1.6
309.16956	4.2
311.14899	5.6
317.21140	2.9
335.14877	3.7
335.22183	3.8
344.66577	1.9
353.15915	16.1
353.23276	4.2
371.17166	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	371.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.7
53.03951	14.4
55.01863	7.2
55.05504	7.0
57.03426	5.4
64.14370	1.6
67.05508	11.5
69.03432	33.9
69.07072	15.8
70.47533	2.3
70.47893	4.5
71.04990	11.7
79.05494	18.7
81.03420	100.0
81.07057	33.8
83.04977	5.8
83.08611	2.2
85.02914	21.0
85.03401	3.1
85.06531	5.5
87.04464	1.6
91.05484	13.7
91.82221	1.6
93.07047	81.7
95.04964	7.9
95.08613	12.0
97.02888	8.3
97.06535	12.1
98.21433	2.1
99.04453	19.2
101.05981	1.7
105.04487	1.8
105.07036	32.6
107.04941	6.1
107.08601	44.0
109.02882	46.9
109.06518	22.3
109.10175	2.6
111.04452	2.1
111.08089	22.3
117.07024	6.2
119.08579	9.8
121.02795	2.9
121.06519	15.7
121.10152	44.6
123.08045	3.7
125.05978	2.7
125.09638	1.7
126.50528	1.5
127.03918	76.1
127.07549	4.6
129.06944	1.6
130.07762	2.9
131.08556	3.6
133.06488	2.1
135.08028	7.1
135.11705	12.5
137.09612	5.4
138.64653	1.6
139.07518	2.4
139.11169	6.0
145.06454	2.4
145.10127	32.3
147.04402	1.6
147.07999	1.9
147.11710	7.9
149.09633	44.7
151.07529	4.5
153.09102	2.5
161.09621	2.6
163.03870	3.4
163.11185	69.6
163.12560	3.4
165.12823	2.1
167.07082	3.6
167.10680	61.3
169.04944	2.7
169.08589	25.9
173.09622	5.2
181.04955	6.2
181.12219	18.1
185.11728	4.7
187.06032	6.1
191.10677	49.1
191.14328	4.3
200.15144	2.0
209.11736	27.4
209.15373	3.4
227.12810	29.4
240.02933	1.6
293.13757	2.8
309.16888	7.1
311.14841	9.2
313.12784	2.4
317.13776	2.2
325.10837	3.5
341.10303	2.2
353.15924	19.7
371.12613	3.3
371.17038	38.1
371.21622	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	11.8
53.98386	1.2
55.01867	7.5
55.05508	18.8
57.03444	4.7
57.07076	2.4
59.47061	1.3
65.03939	2.8
67.05504	12.2
68.57996	1.4
69.03433	41.5
69.07074	20.2
69.53439	9.1
71.05002	12.6
73.02890	1.8
78.39240	1.3
79.05492	21.6
81.03424	100.0
81.07067	39.4
83.01320	1.5
83.04978	8.5
83.08631	6.0
85.02911	18.7
85.06541	5.6
91.05477	15.4
93.07051	71.3
95.04998	9.5
95.08620	13.0
97.02875	7.4
97.06554	13.1
98.21520	1.6
99.04463	18.2
100.11257	20.4
100.91603	1.4
105.07036	27.4
105.07697	2.2
107.04950	2.7
107.08604	44.0
109.02888	45.9
109.06522	18.8
109.10160	16.8
111.04450	4.9
111.06922	1.3
111.08085	22.6
111.11737	1.7
113.06030	3.1
117.07045	4.3
119.08579	10.6
121.06518	12.1
121.10153	42.3
123.08088	6.0
123.11724	5.4
125.05994	2.4
125.09644	11.4
127.03925	65.5
127.07558	2.4
128.07120	1.7
130.07811	2.4
131.08565	7.7
133.06488	2.1
133.10165	4.7
135.08090	8.8
135.11691	10.7
137.09602	9.8
139.07581	1.9
139.11191	6.1
145.04964	2.4
145.10141	24.7
147.08051	2.0
147.11713	6.7
149.08440	2.1
149.09627	42.6
151.07529	3.0
151.11160	2.8
153.09074	1.7
155.07059	3.2
163.11192	66.6
165.09151	5.0
167.07109	2.0
167.10684	51.5
169.05042	2.5
169.08620	20.8
173.09654	5.5
173.13306	2.2
177.12720	1.5
181.12247	18.0
182.15421	4.2
185.11798	3.5
187.06068	5.6
189.12746	2.4
191.10687	45.1
191.14297	3.9
209.11749	20.6
210.14890	5.3
213.17883	2.4
227.12811	27.3
227.17650	2.4
227.67809	1.6
255.12465	1.4
276.72723	6.6
277.23077	2.9
289.21442	3.4
293.13889	1.3
309.16977	7.5
311.14972	8.9
313.12769	2.1
317.21042	4.9
318.26691	2.9
335.14618	3.1
335.22177	4.2
340.26093	2.2
340.76175	2.5
343.30768	3.1
353.15961	18.3
353.22916	2.4
353.27020	2.4
362.27261	11.4
362.77185	2.7
371.17047	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	371.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.9
55.01869	7.6
55.05513	8.1
57.03429	5.9
59.04408	1.5
67.05507	13.2
69.03437	31.5
69.07076	17.0
69.74420	8.0
71.05000	14.2
79.05499	24.1
79.50306	1.5
81.03424	100.0
81.07061	30.7
83.04984	7.1
83.08615	2.5
85.02911	18.7
85.06544	4.7
91.05482	14.4
93.07051	76.2
95.04973	9.9
95.08615	13.0
97.02896	4.6
97.06553	12.4
99.04449	17.2
100.11266	2.6
101.05983	2.5
103.05507	1.8
105.07050	26.9
107.04990	2.4
107.08605	43.4
108.13575	1.7
109.02891	48.8
109.06526	20.2
109.10176	8.0
111.04459	1.8
111.08096	23.0
113.06019	1.7
117.07023	4.2
119.08579	11.4
121.06522	15.9
121.10154	41.2
123.08057	6.4
123.11757	1.9
125.06000	3.1
127.02980	3.4
127.03928	71.9
127.07556	4.7
129.06946	1.7
130.07869	2.6
131.08585	4.9
133.10136	2.5
135.08061	9.5
135.11696	11.9
137.09622	4.4
139.11209	2.9
145.04993	2.9
145.10133	24.9
147.11693	7.3
148.57109	1.7
149.06073	2.0
149.09630	38.2
151.07541	4.1
153.12706	2.3
155.10643	2.2
163.11194	65.2
165.09152	3.5
167.10692	52.5
169.04935	1.6
169.08633	25.7
173.09634	5.6
181.12250	19.5
185.11771	4.9
187.06039	7.3
191.07069	1.8
191.10687	46.4
191.14279	2.7
209.11787	21.0
227.12819	30.2
257.04550	1.7
309.16962	6.6
309.20230	2.2
311.14899	9.2
313.12872	3.8
317.13828	2.4
335.14951	3.4
335.22226	3.3
353.16025	22.8
371.12955	1.9
371.17102	35.0
381.73483	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	1.4
51.11954	1.2
51.47023	1.0
53.03943	11.2
55.01866	5.4
55.05506	6.8
57.03420	5.6
67.05512	8.6
69.03430	31.8
69.07069	17.5
69.24913	3.7
69.25329	7.2
71.05001	11.8
79.05144	1.4
79.05500	15.9
81.03421	100.0
81.07057	24.9
83.04973	4.8
83.08620	1.5
85.02907	15.3
85.06532	3.1
85.94839	1.1
91.05471	11.7
93.07050	64.3
95.04975	6.1
95.08610	9.5
97.02872	5.0
97.06528	12.6
99.04469	12.8
101.06023	1.8
105.07036	24.9
107.04950	1.3
107.08601	36.3
109.02888	39.2
109.06525	17.4
109.10133	4.0
111.04471	1.6
111.08085	15.2
115.05475	1.3
117.07017	3.9
119.08591	10.0
121.06522	12.6
121.10146	33.1
123.08048	4.6
127.03928	57.1
127.07579	2.7
131.08534	4.0
135.08049	9.0
135.11713	9.8
137.02310	1.5
137.09581	2.6
139.07553	1.5
139.11172	4.8
140.40450	1.2
143.08627	1.5
145.10130	22.2
147.08115	2.5
147.11708	5.9
149.06029	1.9
149.09633	24.3
151.07582	2.0
153.09055	2.4
159.08032	1.5
161.09663	1.9
163.11186	50.4
167.10683	41.1
169.04898	1.7
169.07278	2.1
169.08606	22.6
173.09641	4.7
179.10574	2.0
181.12221	12.2
185.11734	3.3
187.06004	2.2
191.10675	37.1
207.83243	1.2
209.11745	18.1
213.72530	1.4
227.12766	22.3
287.04324	1.3
295.11829	1.7
309.17026	6.9
311.14954	6.5
317.21140	1.7
333.53192	1.3
348.56638	1.2
353.16052	16.1
371.16986	27.1
371.23944	2.3
392.89685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03947	2.4
55.01872	2.1
55.05503	5.3
57.03416	2.6
57.07082	1.7
58.04210	1.3
59.35111	1.3
65.03938	1.7
67.05507	6.6
69.03436	9.4
69.07060	3.1
70.06598	2.3
70.80267	2.4
70.80607	1.6
71.04983	1.8
73.02892	1.7
79.05490	4.2
81.03414	4.7
81.07054	14.1
83.08601	2.1
85.02891	5.8
85.06533	1.9
89.06017	5.2
91.05444	6.9
93.07034	9.5
95.04985	3.6
95.08611	8.8
97.02891	2.0
97.06535	3.4
97.10149	2.1
99.04473	1.6
105.07044	7.1
107.04955	3.1
107.08602	17.5
109.02884	3.2
109.06521	6.2
109.10163	8.8
111.08080	2.5
117.06961	2.3
119.08572	4.7
121.06480	1.8
121.10150	18.0
122.07277	4.0
123.08065	3.7
127.03906	3.4
129.05479	1.8
131.08601	2.9
133.10135	100.0
135.08061	13.8
135.11592	3.5
137.09621	57.5
137.10417	1.1
139.11151	2.0
145.10127	3.9
147.06406	1.5
147.11713	1.9
149.09634	2.6
149.13255	12.5
151.11166	1.5
163.11179	2.0
163.14836	3.1
167.10719	2.4
173.13260	6.0
191.10677	2.8
191.14305	52.9
209.11711	2.2
209.15334	6.9
227.12714	1.7
249.05406	1.6
272.85913	1.4
317.21103	2.0
335.22046	2.0
353.23138	2.0
355.06815	1.6
371.16830	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03944	1.2
55.01857	1.1
55.05497	2.8
57.03426	2.5
57.07064	1.5
58.48831	0.6
61.02898	0.8
65.03918	0.7
67.05487	2.4
69.03100	0.9
69.03436	13.2
69.07055	2.7
70.83923	1.6
71.04994	3.5
73.02913	1.5
73.04738	0.6
79.05478	2.4
81.03392	1.9
81.04540	1.1
81.07081	4.7
83.04984	8.7
83.08618	1.1
85.02907	8.7
85.06530	2.3
89.06039	2.9
91.05464	2.2
93.07054	4.7
95.04976	52.0
95.08602	6.8
96.97927	0.6
97.02889	3.1
97.06513	1.7
99.04464	12.1
99.08096	1.5
105.07061	3.2
107.08599	11.3
109.02881	1.4
109.06528	6.5
109.10171	3.9
111.04431	0.8
111.08093	8.5
119.08604	3.3
121.06500	1.7
121.10164	9.2
123.08053	3.2
123.11694	2.7
125.07125	1.0
125.09641	22.0
127.03941	3.7
129.16878	0.6
131.08586	6.2
133.08607	1.4
133.10124	7.2
135.08066	17.2
135.11725	5.6
137.09612	1.2
143.08444	1.0
145.04919	1.3
145.10135	3.0
147.11729	3.5
149.09624	11.3
149.13264	3.9
150.10394	2.2
151.11133	1.5
153.09114	23.6
158.10915	3.2
159.08121	0.7
161.09662	1.3
163.11191	5.5
163.14795	3.3
165.12730	1.8
167.06929	1.0
167.10710	1.8
173.13274	16.7
176.11995	2.5
176.67494	0.6
191.14320	76.0
192.14635	1.0
209.15384	100.0
210.15651	1.1
353.19666	3.3
371.17191	1.6
371.20792	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	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44372	1.5
53.03945	3.6
55.01868	6.6
55.05514	11.2
57.03430	5.2
57.07070	4.8
59.04997	2.6
61.02922	5.6
67.05503	9.1
69.03432	29.9
69.07080	10.7
70.06589	1.9
71.05002	4.3
71.26283	2.2
71.26616	1.6
72.08167	1.8
73.02922	1.7
79.05517	8.8
79.81284	1.6
81.03406	9.2
81.04528	2.9
81.07068	17.8
83.04987	28.0
83.08611	18.1
85.02911	36.9
85.06536	6.9
86.09716	3.8
87.04480	4.0
89.06028	18.7
91.05458	4.1
93.07053	13.2
95.04978	47.3
95.06042	1.8
95.08613	10.5
97.02895	15.2
97.06543	6.0
99.04449	11.6
99.08092	2.0
101.06066	1.6
103.03941	3.6
105.07053	10.3
107.04973	2.0
107.08605	27.6
109.02868	10.3
109.06521	9.5
109.10179	10.7
111.04448	3.2
111.08127	10.7
117.07062	2.4
119.08590	9.2
121.06505	4.6
121.10148	17.4
123.08058	7.8
123.11705	5.4
124.81290	1.7
125.06037	2.1
125.07101	4.5
125.09662	12.0
125.13290	1.6
127.03931	11.9
127.07578	2.6
128.55614	1.8
129.05537	2.7
131.08568	7.6
133.08640	10.5
133.10149	10.9
135.08055	31.2
135.11694	4.1
137.05988	2.1
137.09598	3.0
139.11189	7.1
143.08279	2.4
145.04965	5.2
145.10141	4.2
147.06525	2.1
147.07961	1.8
147.11671	4.2
149.05980	1.7
149.09639	21.6
149.13286	10.5
151.11151	14.4
153.09111	19.3
158.10913	2.2
161.09641	2.5
163.07521	2.2
163.11182	6.1
163.14844	5.2
167.07068	4.7
167.10753	2.3
167.14294	14.0
169.12271	2.9
173.13257	19.7
173.46579	1.7
175.14798	3.0
176.11983	1.7
177.11247	1.9
181.12279	13.0
185.08084	4.3
191.14333	65.3
209.15378	100.0
233.15321	2.6
263.16647	2.4
353.19778	7.7
371.16656	13.0
371.20963	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39186	2.0
53.03946	5.9
55.01869	5.8
55.05512	27.7
56.96568	2.6
57.07072	10.0
59.04999	3.9
63.78271	2.3
67.05516	25.2
69.03428	11.4
69.07071	76.8
69.26466	2.3
69.58123	4.3
69.58524	13.2
70.06594	3.2
71.04983	3.7
72.60427	2.2
76.49139	2.4
77.50144	2.2
79.05499	16.4
81.06590	5.0
81.07062	100.0
83.04983	6.9
83.08624	9.7
85.06561	14.9
89.06037	2.6
91.05492	8.4
93.07051	28.5
95.04982	7.5
95.08612	56.8
97.06529	19.8
97.10178	45.5
98.21565	2.5
99.08096	9.1
101.06010	6.0
105.07037	16.9
107.08600	27.5
109.06524	7.0
109.10160	28.9
111.04433	3.1
111.08075	19.9
111.11734	27.9
113.05934	2.5
119.04920	2.7
119.08591	14.9
121.10140	28.0
123.08096	3.8
123.11711	66.4
125.09601	3.5
127.07606	2.8
128.30367	2.5
129.05501	4.8
131.08609	3.0
133.10147	7.2
135.08078	3.2
135.11688	17.4
137.02277	2.2
137.09622	7.7
137.13254	11.4
139.11185	51.4
145.10143	5.5
147.04417	7.3
147.11696	17.2
149.13240	6.8
151.11230	5.9
153.12770	8.3
157.12244	4.3
159.11725	7.9
161.13269	7.5
163.11182	6.0
165.12759	13.3
171.13808	53.6
173.13181	4.4
176.77483	2.5
177.12813	2.8
178.94678	2.6
179.14345	3.2
187.13332	6.0
187.14787	3.6
195.17487	3.1
217.14418	10.9
223.16866	3.1
233.15378	5.2
263.23663	4.3
265.18039	10.5
267.21140	2.6
275.23645	8.6
279.19473	2.8
285.22241	4.0
291.23236	10.9
303.23148	21.3
305.24841	5.2
309.24295	4.4
317.24875	9.1
321.24332	8.1
323.25824	5.9
325.14261	6.9
335.25821	47.9
353.26776	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	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	22.6
55.29155	2.7
57.03427	8.4
57.05306	2.7
57.07062	6.9
63.78513	3.0
67.05505	57.6
69.07077	25.0
71.05008	5.9
71.08633	97.5
71.54060	3.6
79.05492	29.2
81.06594	4.5
81.07059	83.4
83.04984	7.2
83.08629	21.0
85.06547	8.3
91.05463	22.7
93.07054	29.2
95.04987	3.1
95.08611	56.6
97.06517	9.5
97.10159	8.7
99.07507	6.2
99.08102	81.6
101.06026	5.5
105.07043	22.3
107.08609	21.9
109.10159	21.7
111.08063	5.4
117.07066	3.5
119.08595	17.2
121.10123	18.7
123.11672	10.6
131.08563	12.1
133.10100	9.2
135.11671	15.8
137.13254	6.7
145.10124	7.7
147.11696	51.8
149.09653	3.8
149.13232	10.3
151.11160	4.1
151.14833	4.4
153.12698	8.8
159.11652	5.1
161.13295	5.6
163.11142	12.9
163.14842	28.3
165.12735	20.6
167.14326	3.9
170.18884	3.1
173.11752	11.4
173.13245	6.8
181.15933	9.7
189.11244	3.7
233.22542	3.4
237.50276	3.0
243.21176	21.1
251.23569	3.3
255.19641	7.3
261.22156	30.8
268.26410	6.3
279.23212	100.0
297.24649	3.0
353.26913	87.1
371.27853	4.3
372.34982	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	372.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46358	7.3
55.05513	13.2
56.51559	8.2
56.96565	29.7
57.03443	15.2
58.22528	6.5
61.02925	12.4
67.05519	32.5
68.60321	5.8
69.03449	10.1
69.07079	19.6
70.20526	18.4
71.04994	7.8
73.02943	7.3
73.21590	5.3
75.34763	5.9
75.62950	5.4
79.05517	29.6
81.03442	32.9
81.07056	21.9
83.04973	11.5
83.08627	14.8
85.02911	16.0
87.77394	5.8
91.03976	6.2
91.05473	14.2
93.07050	19.3
95.04969	20.2
95.08596	13.0
97.02927	12.3
97.06538	100.0
98.97587	10.6
105.07042	15.1
107.04963	6.8
107.08635	13.0
109.10134	9.4
116.98541	7.2
121.10161	14.1
131.08594	9.6
145.10088	8.0
147.11684	6.3
157.39400	6.9
163.11125	7.7
193.12199	8.0
209.09709	7.9
213.09088	9.7
215.10832	7.1
249.08139	9.5
255.09105	21.3
259.09943	17.3
265.07620	9.0
267.09055	37.9
267.15942	8.5
273.10068	11.1
283.08514	30.0
285.10107	34.3
291.19592	21.1
292.12360	8.6
301.09503	29.2
309.20554	6.4
347.14304	35.7
355.15454	8.4
368.49918	6.8
373.16211	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	372.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.01883	2.4
55.05511	35.5
56.05029	2.8
56.96563	2.1
57.03426	2.9
57.07074	4.1
67.05507	29.0
69.03422	4.7
69.07066	12.1
69.44714	1.9
70.06619	1.8
70.07408	1.9
71.04978	1.6
71.08630	29.2
71.52637	1.7
79.05498	18.6
81.03446	2.9
81.07058	25.3
82.06590	3.3
83.04998	3.6
83.08620	24.5
84.04494	4.8
85.06555	4.2
86.09707	6.7
91.05460	13.3
93.07056	18.6
94.06583	3.7
94.07352	1.8
95.04969	8.1
95.08614	15.6
95.48879	2.0
96.08141	3.5
97.06528	15.4
97.10169	42.8
98.61175	1.6
98.97562	1.8
99.08085	19.9
100.11214	2.8
101.07140	2.3
101.09697	1.6
102.05534	3.0
105.07037	6.7
107.08599	18.6
107.88030	1.8
108.08150	2.5
109.06503	1.9
109.10168	6.3
117.07014	3.9
119.08589	10.1
121.10163	5.1
123.11674	2.9
125.09628	32.4
129.07030	2.2
130.05016	6.5
131.08598	3.6
133.10115	8.2
135.08054	4.7
135.11726	2.9
139.11205	1.8
140.14313	2.0
144.13786	2.0
147.07658	7.2
147.11685	3.3
149.13242	2.5
150.12785	1.9
151.11159	4.1
152.14362	6.4
153.09047	2.6
154.12224	2.9
159.11725	2.1
161.13269	11.8
171.10164	3.4
172.13327	6.9
179.14288	9.8
185.09489	1.8
189.11227	59.3
198.14787	3.3
199.07639	2.2
199.14583	1.7
201.09192	1.7
203.20155	1.6
206.15440	2.1
213.09180	2.3
224.16542	2.2
241.12263	4.5
241.19362	2.2
241.23651	1.8
241.75462	1.9
259.20477	2.7
274.21671	2.1
276.23203	9.5
277.21591	23.3
285.10977	2.7
294.24298	100.0
295.22714	3.1
311.13028	2.8
354.26505	5.3
355.15137	2.5
372.14468	2.0
372.26978	3.2
373.15866	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	373.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.01862	3.0
55.05503	7.6
57.03434	13.3
59.81518	1.5
62.02503	1.8
65.03922	1.9
67.05508	45.1
69.03094	2.8
69.03435	33.9
69.07053	2.3
71.01334	2.5
71.04974	5.3
71.78945	1.6
73.02905	1.8
73.12724	1.8
73.74603	2.0
75.28660	2.2
81.02943	2.2
81.03416	33.8
81.07049	9.6
83.05000	10.7
83.08624	5.3
85.02914	11.6
87.04450	3.6
87.10434	2.0
91.05476	4.1
93.07003	2.0
95.04993	2.1
95.08597	3.5
97.02876	16.0
97.10180	4.2
99.04452	5.3
105.07063	2.3
106.95763	1.9
107.08607	2.1
109.02870	8.1
109.10164	45.6
111.04448	5.4
119.08575	4.8
125.09655	5.0
127.03932	12.3
129.05467	5.1
135.56694	1.9
137.09621	2.5
155.10670	5.8
173.04453	4.4
173.11740	34.7
189.11150	4.1
229.14384	7.0
255.28714	1.7
299.14911	7.8
355.17523	4.3
373.18576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2223
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
51.03559	1.8
55.05515	10.5
57.03432	1.7
59.04995	3.2
59.76982	1.7
65.84579	1.4
67.04897	1.6
67.05510	15.4
69.03420	9.6
69.07072	14.5
70.67159	3.6
71.04994	2.8
78.22194	1.6
79.05496	4.2
81.03416	5.8
81.07059	23.6
83.04982	7.6
83.08618	7.1
85.02908	8.2
85.06529	3.2
91.05483	5.8
93.07026	10.1
95.04971	5.7
95.08610	34.2
97.02892	3.9
97.06532	3.7
97.10162	3.3
99.08096	3.1
105.07048	9.2
107.04907	1.7
107.08604	23.1
109.02896	4.1
109.06509	11.2
109.10156	100.0
111.08075	4.3
111.11718	2.2
119.08583	40.4
121.10144	14.5
123.08058	12.1
123.11720	7.3
125.09611	2.0
127.03873	3.3
133.10135	22.5
135.11697	93.0
137.09595	16.1
139.11171	1.7
145.04893	1.8
147.11751	2.9
149.13300	6.4
151.11211	8.2
151.14822	11.1
153.12709	3.7
165.16406	3.0
168.01892	1.8
175.14833	40.3
180.55571	2.0
193.12251	3.6
193.15886	71.9
211.13326	7.0
211.16945	68.1
231.89255	1.9
275.98813	1.7
364.71704	5.6
372.71619	1.8
373.14279	4.6
373.21457	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	373.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.3
53.16499	2.8
55.05502	13.0
65.03937	3.0
67.05503	25.0
69.07065	17.1
69.78573	15.8
79.05493	35.1
81.07059	48.5
83.04958	5.0
83.08614	3.1
85.40218	2.7
87.04450	10.0
91.05482	45.6
93.07045	45.5
95.04971	52.1
95.08608	29.2
97.06549	16.6
97.70909	3.1
103.05462	7.0
105.04510	4.9
105.07030	92.8
105.38033	3.2
106.74551	2.8
107.04930	3.7
107.08591	26.3
109.06523	19.7
109.10131	11.1
115.05441	8.3
116.06236	4.4
117.06994	17.7
119.08585	68.5
121.06498	18.5
121.10148	21.3
123.08099	5.1
123.11689	3.7
128.06198	15.7
129.06999	17.2
130.07785	8.0
131.08585	27.8
133.10118	43.2
135.11646	3.5
141.06992	13.4
142.07773	28.3
143.08545	50.8
144.09312	9.8
145.10130	39.1
146.07217	3.9
147.11691	14.9
149.09602	6.1
153.07022	8.8
155.08539	22.6
156.09334	18.4
157.10130	48.1
158.11000	6.9
159.08066	4.0
159.11716	21.6
161.09575	8.7
165.07016	12.8
166.07802	8.4
167.08565	18.5
168.09360	7.4
169.10110	28.5
170.10944	6.9
171.11662	24.0
173.09512	3.4
173.13264	20.6
175.11220	6.1
178.07762	3.5
179.08557	22.0
180.09357	8.6
181.10127	22.0
182.10936	14.4
183.11679	21.7
185.09717	4.2
185.13295	6.9
189.61215	2.6
191.08488	5.3
192.09387	11.7
193.10133	29.4
194.10838	14.5
195.11668	25.2
196.12483	9.4
197.13260	25.8
199.14864	8.9
204.09344	4.5
205.10088	8.8
206.10866	14.1
207.11708	36.8
208.12552	15.5
209.13315	20.4
210.14087	4.5
211.14804	12.5
217.10161	6.5
218.10886	7.6
219.11702	11.8
220.12433	14.0
221.13243	26.1
222.14015	7.7
223.14767	13.9
225.16394	3.0
230.10854	4.7
231.11705	9.1
232.12486	9.1
233.13231	20.3
234.14000	7.8
235.14865	19.5
237.16394	8.1
239.17804	3.5
243.11697	5.8
245.13174	8.6
246.14029	7.7
247.14801	11.6
248.15637	7.2
249.16457	24.2
250.17181	4.5
251.17912	11.0
257.13287	4.6
258.14145	3.6
258.46027	2.9
259.14706	7.4
260.15582	6.0
261.16397	11.9
262.16989	2.9
263.17957	14.6
264.18726	11.1
265.19461	8.8
271.14923	3.6
272.15915	3.2
273.16425	6.8
275.17990	9.3
277.19534	11.0
284.15421	3.5
285.16434	3.3
287.18021	4.9
289.19586	8.9
293.18958	5.0
299.17877	6.3
303.17612	3.1
311.17993	2.7
317.19058	4.6
325.19720	3.7
345.25635	4.5
355.24304	8.9
358.23029	3.8
373.25259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2586
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
53.03905	3.1
55.01866	5.5
55.05270	3.5
55.05513	43.5
57.03423	9.4
57.07067	6.2
59.04990	4.2
62.06091	2.5
65.03933	3.8
66.53645	2.4
67.05186	2.8
67.05511	45.6
69.03426	14.1
69.07072	87.3
69.73923	14.0
71.04978	8.7
71.08621	2.4
79.05495	33.9
81.03421	4.8
81.06594	3.7
81.07060	67.6
83.05000	16.9
83.08620	9.6
84.04479	3.6
85.06534	3.9
86.09704	3.4
87.04482	3.4
91.05483	21.9
93.07047	90.4
95.04971	40.6
95.08613	59.8
97.06535	100.0
97.09554	3.8
97.10168	62.8
98.20826	3.2
99.04443	3.4
99.08112	5.0
105.07027	24.0
107.08604	46.8
109.02844	4.1
109.06507	11.6
109.10155	37.0
111.08089	5.7
111.11710	18.3
115.11208	2.4
117.07017	5.7
119.08588	23.3
121.06509	6.9
121.10145	77.0
123.08063	8.8
123.11722	18.2
125.09629	7.3
129.06998	4.5
131.08565	13.8
133.10135	22.7
135.08029	8.2
135.11697	30.5
137.09599	10.1
139.11188	53.5
141.06891	2.9
143.08554	5.3
145.06509	2.7
145.10135	21.2
147.08035	5.0
147.11702	8.7
148.06046	3.6
149.09624	10.0
149.13307	11.5
151.11183	16.6
153.12724	9.6
155.08487	2.7
155.10612	3.3
157.10138	10.1
157.12221	32.1
159.08047	3.1
159.11667	14.2
161.06110	2.4
161.09627	6.5
161.13235	5.9
163.11182	12.6
165.07088	2.8
165.12753	3.9
167.08548	3.8
167.10684	7.3
169.06358	3.1
171.08057	2.8
171.11676	4.5
171.13818	3.7
173.09599	2.5
173.13274	3.7
175.07516	4.5
175.11156	6.3
175.14832	2.7
177.12791	5.2
179.08444	2.5
179.10692	5.6
181.10234	2.3
181.12274	6.4
183.08018	4.9
183.11763	3.0
184.08926	3.3
185.09608	10.6
185.13261	4.8
187.07491	3.6
187.13318	3.5
189.09077	2.9
189.16451	2.6
193.12143	2.9
195.08072	6.8
197.06004	4.6
199.07518	6.9
201.09204	4.2
203.10735	2.6
203.12749	5.6
203.14442	3.2
209.09496	5.1
209.13295	3.4
211.07535	7.2
212.08322	9.6
213.05548	2.9
213.09097	13.8
213.12781	2.5
213.16438	3.4
215.07066	5.1
215.18022	2.9
221.15424	4.3
227.10684	7.0
239.06932	2.8
241.08600	5.0
241.12260	21.0
243.06581	5.2
255.13829	5.6
255.21114	5.3
259.09613	7.9
265.12207	6.5
267.13898	4.5
269.11807	3.6
273.11215	4.7
273.22089	8.5
275.20016	10.5
277.10767	3.5
283.13297	9.8
283.20493	5.1
285.11310	21.7
289.21490	3.9
291.23172	15.2
293.11725	3.3
293.21088	21.6
301.21527	27.1
305.10269	3.1
307.22580	5.3
309.14825	8.9
310.33899	2.9
311.12933	12.4
319.22678	35.5
325.23590	2.8
327.15692	8.5
329.13812	8.2
337.14243	2.7
337.23633	18.6
355.15457	23.6
373.16467	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11797	3.8
51.45475	4.3
53.03944	5.3
55.01871	10.4
55.05515	53.3
56.96548	12.7
57.03437	11.2
57.07060	8.6
59.23759	4.4
61.02940	8.7
67.05505	36.1
69.03429	23.1
69.06733	6.9
69.07074	100.0
70.69476	12.7
71.04995	8.4
71.79983	3.9
72.06073	4.9
73.02907	4.6
79.05491	26.8
81.03413	17.6
81.07061	68.3
83.04987	24.3
83.08611	11.6
85.02917	7.2
91.03964	4.4
91.05485	17.7
93.07048	91.7
95.04990	25.3
95.08611	68.9
97.02896	8.8
97.06535	81.3
97.10179	77.3
105.07024	26.1
107.08595	47.7
109.06530	16.0
109.10178	31.7
111.08071	5.8
111.11734	26.9
117.07024	7.5
119.08589	26.4
121.10151	59.1
123.08072	10.9
123.11719	15.7
131.08563	6.1
133.10109	17.2
135.07982	5.2
135.11688	38.5
137.09619	9.3
139.11177	63.7
143.08694	5.7
145.10110	12.6
147.11684	8.4
149.09621	12.0
149.13249	6.2
151.11224	9.1
153.12769	6.3
157.10133	11.7
157.12257	45.3
159.11739	12.8
161.05833	5.9
161.09586	8.0
163.11224	16.1
173.49600	4.1
175.11133	5.9
179.10555	5.4
193.12262	17.7
203.12750	7.9
209.09692	5.9
211.13344	10.0
213.09152	9.3
227.10873	5.1
241.12474	4.8
243.06580	4.7
249.08063	6.3
251.29662	3.9
253.57457	4.1
259.09982	5.8
267.08987	49.3
267.15985	8.1
273.22156	10.3
275.20135	9.3
283.20508	5.4
285.10101	72.2
286.10419	5.8
291.23212	23.6
293.21118	36.5
299.11719	7.1
301.21613	23.4
307.22775	6.6
317.12762	6.1
319.22672	39.9
329.14056	4.4
337.23746	32.6
355.15393	11.7
373.16510	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	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.01863	4.4
57.03426	2.3
61.02917	2.9
65.03935	2.7
68.99780	1.8
69.03435	14.1
69.34551	9.2
69.34877	1.0
71.05001	2.4
73.02910	5.0
81.03420	10.1
84.04500	2.4
85.02909	41.8
86.09717	9.1
87.00841	20.1
91.05487	100.0
97.02905	16.2
97.50017	1.2
99.04462	5.9
105.01871	31.9
105.07047	3.3
108.04537	3.0
109.02894	15.9
117.01834	2.2
126.05507	1.2
127.03928	34.1
127.04826	2.7
129.01805	1.7
129.07014	1.8
132.10214	2.9
145.04970	17.7
145.06097	1.7
145.06473	0.9
147.02858	1.8
159.02916	7.4
159.49103	1.4
169.08672	1.3
175.07599	1.5
189.03943	2.0
195.06406	1.6
199.07574	2.6
213.03828	1.4
215.13812	2.0
217.08669	1.4
227.12794	1.4
228.94609	1.3
231.04994	11.8
243.13403	2.2
249.06105	3.3
249.21996	1.2
302.35001	1.2
348.05508	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
57.03432	1.3
61.02909	2.2
61.41535	0.8
61.95214	0.7
69.03433	4.1
70.06575	1.4
70.09665	1.9
70.10060	0.9
71.04953	0.7
72.08171	1.1
73.02917	0.9
77.68443	0.7
81.03407	3.2
84.08144	1.7
85.02434	1.3
85.02908	15.5
86.09698	0.9
89.03920	3.1
89.86106	0.7
90.05537	0.8
91.03977	0.8
97.02895	3.9
103.05503	1.2
109.02869	1.7
114.83957	0.8
117.03393	11.1
121.06499	0.8
127.03941	2.5
135.04448	1.4
145.02855	37.0
145.04933	3.5
147.07561	0.8
149.05980	7.0
153.05577	0.8
159.11679	2.4
162.19931	0.7
163.03920	2.9
177.05479	100.0
180.08670	1.6
193.12216	1.1
195.06540	57.1
227.08519	1.4
265.25482	0.7
374.17474	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01874	1.4
55.05523	1.1
56.05041	1.4
57.03442	2.2
59.04974	0.9
65.03909	1.7
66.31952	0.6
69.03434	18.7
69.07078	6.8
69.16281	7.7
70.06604	4.2
71.04980	3.2
72.08167	1.1
73.02919	1.3
79.05493	1.4
81.03419	12.6
81.07080	0.9
83.01331	1.3
83.04976	0.7
83.06112	1.3
84.04508	19.4
84.08189	1.6
85.02908	18.7
86.09709	73.9
87.00836	12.1
87.04475	1.4
87.10063	1.3
91.05487	100.0
92.05791	1.4
93.07026	1.3
95.04955	1.6
97.02898	33.9
97.06527	1.2
98.21468	1.5
98.97620	1.3
99.04459	11.0
99.05043	1.5
101.02359	0.9
102.05547	8.2
105.01871	9.0
105.07077	1.4
109.02911	4.7
109.10152	0.9
115.03991	1.2
116.07107	1.5
117.07008	0.8
119.08594	1.1
124.07597	1.3
127.03926	34.1
129.06593	9.0
130.05017	1.2
132.10216	21.7
133.10233	0.9
137.09644	1.0
138.10034	0.9
141.06584	0.7
143.03383	1.3
145.04973	25.8
163.03883	0.8
170.11790	3.3
193.15981	0.7
194.12485	1.1
194.16235	1.1
197.12868	14.0
197.14565	1.2
199.18112	4.1
212.13083	0.8
213.03880	1.1
215.13918	20.3
216.13838	0.9
225.12285	4.7
227.17575	2.6
231.05009	20.2
242.15070	1.7
243.13361	6.6
249.06094	8.9
366.13675	0.8
374.18484	1.4
375.12848	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Ile Glu Leu
Peak:m/z	Relative Intensity
53.20858	0.4
55.05525	0.6
56.05037	1.4
57.05813	0.5
63.58452	0.4
64.28728	0.4
67.05516	1.2
69.03448	1.0
69.07077	8.9
70.06594	1.4
70.63993	1.1
72.08165	0.7
73.02959	0.4
79.05499	0.7
81.03422	1.1
81.07077	0.6
82.03786	0.4
83.04998	0.9
83.06116	1.8
84.04511	15.7
84.08141	0.9
85.02924	1.7
85.06550	0.7
86.09711	100.0
87.04475	1.0
87.10040	1.0
91.05500	1.4
93.07052	1.4
95.04978	0.8
95.08616	1.7
97.02898	0.8
97.06532	0.9
99.08092	0.6
100.72684	0.4
102.05549	8.2
104.07089	0.5
105.07013	0.6
107.08610	0.7
109.02836	0.5
109.10177	0.8
119.08585	1.0
123.08077	0.5
125.09708	0.8
127.03908	0.9
129.06602	5.3
130.08673	0.5
132.10216	14.1
134.10521	0.7
138.09950	0.6
150.96942	0.4
152.10672	0.8
163.03961	0.8
169.13356	0.8
170.11809	1.6
194.16264	0.8
196.14427	0.7
197.12885	14.7
197.14607	0.9
198.13327	0.5
199.18144	0.7
200.20462	0.4
207.13910	1.0
210.78760	0.4
215.13931	25.5
220.17107	1.4
225.12413	1.7
242.15073	1.5
243.13419	40.2
245.07953	0.4
245.18637	0.5
261.14429	2.9
315.09784	0.5
344.35831	0.5
356.23907	1.2
360.98352	0.4
374.18073	0.8
374.22470	2.1
375.12219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85631	0.6
57.03438	0.8
61.02921	1.1
66.44875	0.6
67.76212	0.8
69.03432	2.3
69.07072	4.6
70.06588	2.0
71.51330	0.9
72.08164	0.9
79.05519	0.7
81.03413	0.9
82.06585	3.1
84.04491	3.9
84.08151	2.7
85.02917	8.0
86.06092	1.2
86.09711	100.0
87.10038	0.7
89.03930	2.3
91.05480	1.1
97.02897	2.9
98.97572	0.9
102.05515	1.2
109.10638	0.6
110.11076	0.7
117.03388	6.5
119.04897	0.8
119.08610	1.0
127.03910	9.3
130.05014	1.6
135.04433	3.0
136.06126	0.8
139.87079	0.6
145.02855	17.7
145.04953	1.4
148.06047	6.2
149.06007	2.2
163.03908	10.6
166.05055	0.8
176.00226	0.7
177.05489	39.0
178.05792	0.9
195.06551	21.2
197.09270	2.9
199.18071	33.6
201.50099	0.7
212.05510	3.4
213.11230	3.9
225.08679	1.5
227.17552	19.3
241.15454	1.8
243.09801	0.7
261.14502	6.9
374.23248	1.1
375.12515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22647	0.3
55.05500	0.6
57.07081	6.7
58.06591	1.3
69.75262	1.3
69.75666	0.7
70.06594	14.2
71.08640	2.9
72.08138	0.5
82.32585	0.3
84.08156	0.5
85.10181	1.3
88.07630	18.0
98.20824	0.4
102.09184	12.0
117.71488	0.4
120.49040	0.4
128.38667	0.5
132.10207	1.0
146.11763	0.7
150.11211	0.9
190.24234	0.4
252.53685	0.3
268.30017	0.8
312.32599	38.6
327.60059	0.4
356.35287	2.7
374.36279	100.0
375.36575	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
54.40996	0.2
55.01877	0.8
55.05513	0.3
57.03438	0.6
58.07933	0.3
61.00927	0.3
61.02911	0.5
67.05486	0.5
68.99799	0.3
69.03436	2.5
69.07067	0.5
69.56316	1.1
69.56730	0.7
70.06572	0.6
71.05000	0.5
72.08163	2.1
73.02911	0.8
75.05589	0.3
79.05482	0.4
81.03428	3.3
81.07075	0.4
82.06593	0.7
83.01365	0.3
83.58061	0.3
84.04492	0.6
84.08152	4.5
85.02908	5.6
86.09235	0.4
86.09716	5.3
87.00829	1.5
87.10046	0.9
91.05488	0.7
93.07055	0.5
97.02898	1.7
99.04466	0.8
102.05569	0.3
105.01872	0.9
105.07035	0.8
107.08601	1.6
109.02890	2.7
109.06544	0.3
112.11274	0.7
112.54557	0.2
119.08598	2.4
121.10132	0.6
127.03922	100.0
128.04230	0.6
128.07097	1.0
129.10333	0.3
130.08650	1.5
131.08589	1.0
133.10120	0.4
137.06004	0.3
143.11813	0.8
145.04947	1.3
146.03188	0.3
147.08018	0.9
147.11308	1.0
149.09612	0.7
159.02913	1.6
163.03929	0.3
165.09157	1.1
171.11368	0.5
175.69038	0.3
177.05458	0.5
177.09160	0.9
178.05807	0.6
193.12186	0.3
195.06520	0.4
195.10184	1.1
196.06822	0.6
199.17981	0.4
200.18352	0.7
205.11847	0.5
213.11223	8.0
231.05057	0.6
232.11917	0.7
266.08878	0.4
268.19144	0.8
270.18094	0.3
319.73749	0.2
357.23917	1.0
375.12265	1.5
375.16745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49142	2.1
53.03934	4.2
55.01865	4.5
55.05503	7.8
57.03434	2.3
67.05505	17.7
69.03415	6.7
69.07055	7.5
69.93204	10.2
71.04992	5.2
76.16853	2.5
79.05492	21.6
81.03399	8.4
81.07059	36.5
83.04977	15.2
83.08610	6.3
85.06532	4.7
91.05471	15.9
93.06485	4.0
93.07045	53.1
95.04973	16.1
95.08601	24.4
97.06534	13.2
98.20850	4.4
99.04475	11.6
105.07025	31.7
107.04958	8.0
107.08604	27.1
109.02894	2.5
109.06519	23.1
109.10154	7.6
111.04440	4.1
111.08064	13.7
117.06989	5.2
119.08594	24.1
121.05669	4.4
121.06506	52.8
121.10118	9.0
123.08076	5.2
123.11725	3.8
125.05955	8.6
127.03880	2.8
127.07531	8.1
129.06995	6.5
131.08563	6.9
133.06509	2.6
133.10143	14.7
135.04408	5.5
135.08020	10.7
135.11697	3.0
137.05997	4.7
137.09631	3.4
139.07513	7.8
142.07773	4.7
143.07043	4.2
143.08530	7.3
145.10109	10.7
147.08018	5.5
147.11685	42.3
153.09030	3.2
156.09261	4.6
157.08585	2.0
157.10138	16.5
159.06558	4.5
161.13243	9.6
165.12753	8.1
169.88657	2.2
171.10364	3.3
171.11700	15.6
173.09662	6.9
173.13300	2.4
175.11159	25.5
179.03395	2.1
181.10156	2.7
189.12761	26.6
193.12231	25.8
194.17206	2.1
199.11179	20.3
207.13774	19.3
211.13255	11.5
217.12242	80.3
235.13280	100.0
236.24831	2.2
253.14365	46.7
271.15668	2.6
321.13297	6.0
339.14511	3.1
357.15536	3.0
375.11935	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	375.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	16.3
55.01865	16.4
55.05502	14.8
56.44936	4.1
57.03433	7.5
61.02949	5.2
67.05502	21.1
69.03433	62.3
69.07075	44.8
71.01327	7.2
71.04980	13.8
71.51659	4.7
73.02900	4.6
79.05505	38.9
81.03422	55.0
81.07063	45.8
83.04977	10.1
85.02911	100.0
85.06534	15.8
86.09698	7.3
91.05481	32.1
93.07049	44.2
95.04955	20.6
95.08608	20.6
97.02894	35.8
97.06539	75.1
99.04459	47.8
103.03951	88.0
103.05437	8.9
105.07030	32.3
107.04942	10.7
107.08595	33.9
109.02882	50.5
109.06504	29.7
109.10170	7.4
111.08069	14.5
113.06010	4.3
115.03934	6.8
115.05428	8.6
117.07025	13.0
119.08572	13.4
121.02883	8.7
121.06506	18.9
121.10190	10.7
123.08070	34.6
125.09672	7.6
127.03931	91.4
127.07549	13.5
129.07011	9.9
129.10240	6.0
131.04909	9.1
131.08580	21.7
133.06491	10.0
133.10118	8.0
135.04434	5.5
135.08067	28.4
137.09599	24.9
139.07506	12.5
145.04958	30.1
147.04411	5.3
147.08006	15.5
149.09612	15.0
151.03877	13.8
151.07555	15.0
151.11183	6.5
153.09138	25.0
159.08069	8.9
163.05927	7.3
165.09149	29.1
167.10672	5.7
177.09116	57.3
183.10179	4.9
187.06029	18.7
189.05493	5.6
193.12288	5.6
195.10181	62.5
213.11186	16.9
241.09679	4.8
245.08397	4.4
255.12239	30.9
259.08578	10.7
273.14838	9.6
285.10059	9.2
301.14380	17.4
303.05020	23.6
339.14413	5.1
375.11752	8.6
375.18127	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.5
55.05519	15.0
57.07076	2.3
65.03944	1.8
67.05506	30.5
67.92962	1.8
69.03414	3.1
69.07075	11.7
71.05000	1.9
79.05499	38.4
81.03429	2.5
81.06584	3.6
81.07061	52.9
83.04990	3.7
83.08623	5.6
83.35516	2.2
83.36013	2.1
91.04914	2.8
91.05487	64.0
93.07050	83.4
95.04976	42.0
95.08066	3.4
95.08619	41.3
97.06536	11.0
100.31787	2.0
103.05478	7.2
105.07035	100.0
107.08600	45.1
109.06514	11.8
109.10148	22.5
109.97225	2.3
111.08076	2.4
115.05446	4.2
116.06199	3.1
117.07004	20.4
119.06033	1.9
119.08595	89.3
121.06516	17.5
121.10146	70.6
123.08089	6.1
123.11726	6.1
128.06229	9.1
129.06981	16.7
130.07771	6.4
131.08580	52.1
133.10141	44.5
135.08075	4.9
135.11710	18.4
141.06975	5.7
142.07796	19.9
143.08586	29.9
144.09369	6.9
145.06517	2.2
145.10141	56.4
147.08046	4.4
147.11682	20.2
153.07016	2.1
155.08536	12.8
156.09348	8.6
157.10155	42.4
158.10855	4.1
159.08075	3.0
159.11707	32.1
161.09599	11.2
161.13240	5.2
163.11227	2.2
165.06964	3.0
167.08553	3.7
168.09384	3.3
169.10136	21.3
171.01366	2.1
171.11678	15.4
173.09639	3.9
173.13281	20.9
175.11147	2.7
175.14900	11.5
177.10957	1.8
179.08549	8.2
180.09377	2.7
181.10126	7.8
182.10994	2.0
183.11705	13.9
185.13341	9.7
187.11211	7.4
187.14839	14.7
192.09412	2.6
193.10147	4.3
194.10878	3.7
195.11716	10.8
196.12401	3.1
197.13255	14.3
199.11110	2.5
199.14894	9.9
201.12837	2.6
201.16476	2.9
207.11668	5.8
209.13234	13.5
210.14032	2.9
211.14825	8.2
213.16447	2.4
221.13203	3.7
223.14771	4.7
225.16245	3.4
235.14822	3.5
244.55202	2.2
251.17944	3.9
253.15889	4.9
253.19493	3.6
265.19693	3.5
279.21008	3.0
347.27423	2.3
357.25836	2.4
375.26767	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.0
55.05505	12.8
56.96568	9.1
57.07079	3.8
59.23485	3.3
65.03943	3.9
67.05505	38.7
69.07062	14.2
71.53576	6.0
75.38487	3.5
77.08342	2.9
78.60003	2.7
79.05492	33.2
81.07063	53.4
81.67756	2.8
83.04961	4.2
83.08604	4.3
91.05479	50.7
93.07045	84.0
95.04974	33.8
95.08608	45.0
97.06506	5.7
103.05447	6.3
105.07034	100.0
107.08588	42.0
109.06533	13.8
109.10165	28.1
117.07017	17.9
119.08594	66.0
121.06501	13.3
121.10138	73.7
121.10935	5.7
123.08031	6.3
123.11696	7.1
128.06253	8.3
129.07018	12.2
130.07799	9.0
131.00182	4.8
131.08575	46.1
132.09428	3.7
133.10127	36.1
135.11671	14.8
141.07022	6.4
142.07779	16.8
143.08560	25.0
144.09370	3.9
145.10139	56.7
147.11710	15.0
149.01221	7.1
153.07001	3.6
155.08583	11.1
156.09314	9.5
157.10121	39.1
158.10956	4.2
159.08099	4.4
159.11693	26.9
161.09616	11.5
161.13260	7.9
167.02338	3.6
167.08617	5.2
169.10170	17.8
171.11705	12.5
173.09584	3.3
173.13242	16.4
175.11162	6.8
175.14865	8.1
181.10138	5.1
183.11707	11.3
185.13290	11.9
187.11148	6.2
187.14848	13.3
193.10162	7.0
194.11020	3.7
195.11691	9.2
197.11804	5.3
197.13330	8.7
197.62061	4.8
199.14827	10.1
201.16388	4.7
209.13258	12.0
211.15004	4.5
213.16319	3.8
218.13368	4.8
220.12631	4.6
223.14777	5.6
225.16483	4.1
234.35155	3.7
235.14792	5.9
236.15837	3.2
243.14275	4.1
243.64467	4.4
253.15851	4.2
266.20184	4.5
337.20419	6.8
338.20786	3.1
357.26849	3.6
359.77789	3.3
365.12604	3.7
374.75964	10.8
375.26599	25.0
375.30704	30.3
375.36313	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	375.2744
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.05516	32.1
57.07061	4.3
60.93118	3.9
63.28960	3.9
67.05506	35.1
68.39857	4.8
69.03406	5.2
69.07069	54.1
70.75754	9.4
70.76089	5.4
71.04994	8.8
76.26540	4.4
77.98502	4.4
79.05492	22.6
80.44027	4.4
81.07067	100.0
83.04990	13.1
83.08619	16.1
91.05477	13.4
93.07046	72.4
95.04975	27.5
95.08610	64.2
97.06527	13.9
97.10159	23.9
105.07026	36.3
107.08589	40.7
109.06534	11.2
109.10163	49.9
111.08058	9.9
111.11729	7.0
119.08622	22.9
121.10140	61.2
123.11707	52.0
131.08539	5.9
133.10164	11.0
135.11711	40.9
137.09676	5.7
137.13275	9.0
139.11179	18.3
145.10144	13.5
147.11710	33.2
149.13266	6.9
151.11200	9.2
153.12714	17.0
157.12241	18.1
159.11703	14.4
161.13226	8.9
163.11186	10.2
165.12737	7.8
169.12250	7.3
171.13828	8.8
173.13225	5.3
175.14815	7.3
182.19244	4.9
187.13344	13.0
187.14902	9.5
189.16338	6.5
257.22614	9.0
275.23737	17.4
285.22247	6.9
291.23154	12.2
293.24701	11.0
303.23218	68.2
321.24240	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	375.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	38.1
55.92736	12.2
56.96585	10.0
57.07064	14.7
58.66680	10.0
67.05498	30.5
67.91538	10.4
69.03442	16.2
69.07072	53.0
69.85555	19.5
69.85972	35.2
71.77847	9.5
77.21187	9.5
79.05487	34.5
81.07069	100.0
83.04968	10.7
83.08651	13.4
85.06545	15.4
91.05486	23.1
92.04478	11.4
93.07037	65.8
95.04967	40.7
95.08604	61.6
97.06525	60.0
97.10191	47.9
98.20764	10.6
100.11254	33.4
100.92496	10.0
105.07042	32.5
107.08608	40.4
109.06528	19.5
109.10185	38.0
110.97655	10.3
111.08097	15.1
111.11732	23.3
119.08604	36.0
121.10147	48.4
123.08041	18.1
123.11713	77.1
127.98509	10.9
133.10152	16.5
135.07988	10.9
135.11694	23.4
137.13225	10.2
139.11177	32.9
143.08635	14.1
147.11720	27.4
149.09612	12.5
153.12755	15.6
157.12259	33.5
159.11693	15.1
161.13206	12.2
162.35501	10.2
163.03952	10.1
163.11183	11.8
165.12781	13.2
203.12819	23.7
291.23245	17.0
293.63272	12.4
303.23196	42.2
309.24466	17.9
321.24252	58.7
339.25531	12.4
375.12476	17.2
375.21802	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	376.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.01865	1.4
55.05508	1.5
57.03443	1.9
61.02922	4.3
63.10380	0.8
65.29891	0.7
66.08208	0.8
67.05492	1.2
68.05033	1.1
69.03434	6.9
69.35033	4.5
69.35441	1.7
70.06576	2.5
71.04984	1.9
73.02913	1.7
74.06046	0.9
74.09695	0.8
79.05499	1.7
81.03414	5.2
81.07049	2.9
81.86709	0.9
82.06593	1.2
83.04979	1.3
84.04523	5.8
84.08140	1.9
85.02906	27.8
86.09718	4.1
87.04485	0.9
87.05606	0.8
87.58512	0.9
91.03944	1.1
91.05470	1.3
93.07040	2.5
95.04977	1.0
95.08608	1.9
96.04480	5.6
97.02905	5.9
98.06026	1.1
99.04464	1.5
102.05527	2.0
102.29993	0.9
105.07029	1.5
107.04954	1.5
107.08580	1.3
109.02859	2.5
110.07189	0.9
114.05539	1.3
116.07063	1.2
119.08617	1.6
121.10148	1.4
121.16780	0.8
124.03958	1.4
126.05618	0.9
127.03911	5.0
128.07068	1.1
129.05484	0.8
130.04997	3.4
131.05431	0.8
131.08501	1.3
137.05981	100.0
139.11119	1.3
142.05003	0.9
145.04968	5.9
147.11346	1.1
148.06042	4.6
149.09644	4.1
151.07567	2.0
167.10681	1.4
177.05428	1.1
179.07057	42.0
180.08653	2.4
184.13559	1.1
193.12291	1.5
194.15416	1.9
195.10056	1.0
197.08159	6.4
204.13826	2.1
211.13298	6.5
213.11171	1.7
214.11411	3.7
222.14906	3.4
250.14375	14.5
268.15393	4.1
286.16492	1.5
295.05841	0.9
314.16049	2.8
332.16940	9.2
340.21353	1.4
376.12936	1.3
376.19547	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	376.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35117	0.4
53.03946	0.8
55.01870	1.3
56.05023	0.7
57.03427	1.8
61.02936	3.1
67.05500	0.7
69.03424	5.5
69.54708	1.2
69.55118	1.6
71.04982	1.3
72.08149	0.6
73.02919	1.0
74.06086	0.6
79.05480	0.9
81.03422	3.4
81.07061	0.8
82.06585	0.6
83.04955	0.9
83.06049	0.4
83.08618	0.5
84.04495	3.7
84.08143	0.9
85.02908	21.2
86.03212	0.5
86.09721	0.8
87.04482	0.5
90.14397	0.5
91.03945	1.0
91.05471	1.1
93.07061	0.9
96.04498	1.9
97.02892	6.5
97.44296	0.4
98.20763	0.9
98.97612	0.6
99.04457	1.3
102.05524	0.7
105.07025	1.2
109.02872	2.3
109.65841	0.4
119.04942	0.5
121.10193	0.6
122.03650	0.5
124.03979	0.5
127.03918	3.8
128.07117	0.5
130.05045	2.3
137.05981	100.0
145.04980	6.8
147.07642	1.3
148.06070	1.8
149.09569	1.0
151.07547	1.8
160.27660	0.5
177.05357	0.5
179.07045	37.1
180.08708	2.1
194.15381	0.7
197.08110	6.5
204.13887	0.9
211.13306	1.5
213.11354	0.4
214.11046	1.0
222.14970	0.7
250.14354	6.4
251.14775	1.4
268.15485	1.9
314.16068	0.5
332.16754	2.8
341.35605	0.5
355.96375	0.5
358.18616	1.4
376.19498	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	376.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01696	1.8
53.03941	2.1
55.01872	4.9
55.05503	9.0
57.81218	2.1
58.99567	3.8
67.05506	21.5
69.07083	11.5
70.06582	8.0
71.05002	4.6
71.52621	2.5
73.02920	1.9
74.00649	3.3
79.05494	16.1
80.05030	4.0
81.03408	3.8
81.07066	17.5
82.06576	4.9
82.86549	2.2
83.04976	3.9
83.08609	3.4
85.02889	3.7
86.09704	7.9
88.03968	2.3
91.05482	10.6
91.39076	2.1
93.07037	16.3
94.06560	3.8
95.04945	3.5
95.08611	18.8
96.08121	4.6
97.06525	3.9
99.04496	2.0
101.71649	2.3
105.07017	7.0
107.08582	8.5
108.04467	3.0
109.02862	2.7
109.06521	2.7
109.10167	6.7
110.06001	2.7
111.02641	7.7
111.04420	2.8
115.02139	3.5
117.00106	2.7
117.07027	3.7
119.08584	7.0
120.08093	7.5
120.99569	5.7
121.06485	2.5
121.10157	11.4
122.06064	2.4
122.10500	3.3
125.04298	2.6
126.39642	2.0
131.08537	5.4
133.06483	2.1
133.10109	3.2
136.07510	2.5
138.03711	3.4
139.11212	2.5
145.10094	3.8
147.07924	1.9
147.11630	3.6
149.04276	2.4
152.05261	5.2
159.11656	3.7
163.03873	4.1
175.14828	2.3
177.16383	5.7
178.16721	7.1
179.10709	3.1
181.04945	3.0
185.13293	2.3
198.05885	12.0
210.18495	5.8
219.01677	2.0
220.17111	2.9
223.16859	4.2
235.10236	3.8
238.18051	8.5
241.17889	5.1
242.17564	2.7
248.16472	6.7
254.17458	3.4
256.19086	24.0
257.10370	2.9
266.17566	14.9
268.18988	2.3
271.13538	2.7
280.19125	2.7
288.16135	7.9
290.17392	2.4
294.15204	2.3
296.16788	12.3
302.11984	2.9
312.16214	7.9
314.17819	51.3
316.10028	7.0
322.14783	6.5
326.19598	4.4
332.18820	5.9
340.15576	10.1
340.45914	2.1
353.06601	2.3
358.12793	2.9
358.16864	43.1
376.12592	7.3
376.17834	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.8
55.05512	18.5
57.03441	4.6
67.05499	11.8
69.03427	3.3
69.07064	7.7
69.80891	7.6
71.05007	3.9
79.05495	13.1
81.03449	2.6
81.07061	14.4
83.04981	4.5
83.08619	11.0
91.05505	7.1
93.07042	15.1
95.04963	2.3
95.08630	9.1
97.06553	4.2
97.10169	26.3
105.07056	4.8
107.04910	1.5
107.08595	17.6
109.02953	2.1
109.06544	6.6
109.10196	5.6
111.04462	2.1
111.08090	20.1
117.07029	4.1
119.08598	3.1
121.06505	3.8
121.10155	4.5
123.08070	10.2
123.11713	1.4
125.09641	23.2
128.03580	1.5
131.08597	2.6
133.06555	2.6
133.10184	2.3
135.08049	14.8
137.06006	2.5
139.07616	5.8
145.10144	2.3
147.11630	1.7
149.06084	1.9
149.09641	2.8
151.07568	7.5
153.09109	9.2
157.10204	2.0
161.06007	3.5
163.07584	1.7
165.39233	1.5
167.08493	1.5
169.08650	9.1
171.10219	2.9
173.11786	3.2
177.09079	3.4
179.07108	4.1
185.11806	2.8
187.09630	1.8
189.09590	2.5
189.11226	19.4
194.10793	1.5
195.10207	2.7
207.10239	1.6
217.69977	1.5
227.12782	100.0
241.15929	3.1
244.30582	1.6
259.17020	3.6
269.15469	3.0
277.17978	2.4
287.16388	29.3
304.23749	2.0
305.17474	48.2
322.24323	2.2
323.18509	32.8
332.14362	2.2
340.24905	2.8
341.19653	3.8
375.01047	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	376.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
55.05519	16.5
57.03443	3.0
67.05508	11.2
69.03430	4.6
69.07069	5.0
69.26221	12.2
69.26636	3.0
71.04989	3.3
79.05493	11.3
81.03402	4.6
81.07081	12.7
83.04970	4.7
83.08616	12.4
85.02905	3.7
86.09718	5.8
91.05477	7.6
93.07041	11.9
95.04950	3.9
95.08622	9.4
97.06508	2.5
97.10175	16.2
98.20702	3.5
99.04485	2.2
105.07021	6.8
107.04965	45.4
107.08580	11.0
109.02884	2.9
109.06513	7.1
109.10200	4.3
111.08089	3.5
114.23049	1.9
117.07018	3.3
119.08606	4.2
120.08099	2.4
121.06576	3.4
121.10155	3.5
123.08092	2.7
125.09667	12.8
127.03925	3.7
131.08607	2.8
133.10107	3.9
135.08061	100.0
137.06003	10.1
137.09625	2.3
139.07550	15.7
145.10141	2.6
147.04459	2.4
147.08084	2.8
149.09624	2.8
151.07544	3.5
153.09094	5.3
158.05992	2.6
159.08063	2.6
159.11696	2.2
161.06033	2.7
161.09697	2.7
163.03859	3.0
171.10229	2.2
171.11757	2.8
179.06978	2.5
189.09120	3.5
189.11240	8.9
216.10161	1.9
221.09157	3.1
235.13234	2.0
238.67641	1.8
246.17021	2.0
259.08405	2.5
259.17087	8.8
264.13113	2.2
269.15274	3.8
285.10138	2.2
287.16501	22.5
296.88297	2.0
299.34082	2.3
305.14255	3.1
305.17496	37.6
323.18527	33.1
341.19656	4.5
345.15500	2.1
376.25369	4.0
383.40631	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	376.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01872	3.4
55.05514	17.0
56.96577	1.4
57.03442	2.9
59.53630	1.5
67.05511	11.2
69.03425	3.2
69.07068	5.7
70.78395	5.0
71.04972	2.0
79.05492	11.3
81.03431	2.7
81.07053	14.2
83.04959	2.2
83.08633	12.8
85.06545	1.7
91.05482	7.6
91.33469	1.5
93.07043	13.7
95.04957	5.5
95.08591	9.5
97.06554	5.7
97.10181	22.4
99.04462	1.7
105.07029	6.6
107.08624	7.1
109.02870	3.0
109.06538	7.5
109.10164	4.2
111.08090	30.3
116.73493	1.3
119.08615	2.9
121.06506	6.8
121.10162	4.6
123.08095	11.2
125.09631	19.4
127.07533	2.3
131.08597	3.4
135.08069	14.2
137.06026	1.6
137.09625	2.6
139.07553	4.7
139.11137	1.5
149.06084	1.5
149.09572	1.7
151.07535	6.1
153.09096	6.3
157.08585	1.6
157.09998	1.4
159.08116	1.5
161.09576	1.5
169.08633	18.7
171.10107	2.3
173.11792	3.9
177.09119	2.6
187.09695	3.6
189.09320	2.6
189.11205	22.2
189.12759	2.7
204.10138	1.8
205.70506	1.6
218.08087	2.0
227.12799	100.0
235.83865	1.6
241.15877	2.1
251.12747	1.7
259.17130	2.1
263.16693	1.6
269.15494	1.9
277.17990	2.9
287.16418	15.1
300.87018	1.6
305.17487	37.4
323.18506	34.6
338.77499	1.5
341.15915	9.3
341.19666	3.5
358.20151	3.1
376.21094	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	376.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	31.2
57.69306	0.2
58.02271	0.2
64.94608	0.2
69.07045	0.2
70.97379	0.4
74.17081	0.2
76.12775	0.2
82.63041	0.2
108.04510	0.5
118.55790	0.2
124.08742	0.4
125.07130	4.2
126.05523	3.5
135.05608	0.3
179.86850	0.2
191.11824	1.0
192.10292	0.4
208.14508	1.6
209.12866	9.2
210.11238	1.2
218.12909	3.8
219.11279	2.3
228.11372	0.2
234.65866	0.2
237.35432	0.2
260.15265	0.9
274.19131	0.5
275.17535	5.8
292.20206	8.0
293.18579	7.2
302.18649	14.4
303.19098	0.4
303.76767	0.2
332.19055	0.3
338.85385	0.2
343.22330	0.2
355.19095	0.3
358.24854	1.4
358.41122	0.2
376.25952	100.0
377.26102	1.6
394.26968	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	377.1458
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
53.03944	1.9
55.01858	0.6
57.03444	7.0
61.02921	2.7
61.64964	0.6
63.92783	0.6
69.03438	9.8
69.55865	4.0
71.01350	1.9
71.05002	3.1
73.02930	0.9
75.04487	2.1
81.03417	3.2
99.04462	4.3
117.05492	1.1
145.07567	1.5
157.07687	0.7
172.08707	26.9
190.09723	1.1
197.12888	2.7
198.06583	5.9
198.91905	0.6
200.08189	4.5
216.07698	11.9
243.08798	61.8
244.07092	1.3
316.13071	0.6
341.17230	0.7
359.13574	2.7
377.14581	100.0
378.14966	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20998	0.7
53.03955	6.8
55.01859	1.3
55.05501	1.0
57.03427	3.3
58.57883	0.7
61.02924	1.9
62.83751	0.7
65.45945	0.7
67.05508	2.1
69.03088	1.4
69.03436	20.4
69.07059	1.6
70.63686	1.2
70.64021	1.3
71.04990	5.7
71.08632	1.1
72.18491	0.7
73.02919	1.4
79.05485	2.4
81.03424	33.0
81.07053	2.5
83.04987	1.7
85.02911	55.6
91.05486	2.1
93.07052	2.6
95.04985	1.6
95.08601	1.7
97.02908	5.0
97.06521	1.9
99.04459	27.4
100.11270	0.9
103.03953	53.9
105.07032	4.1
107.04961	1.4
107.08590	0.9
109.02888	31.3
109.06487	1.2
117.07013	1.1
118.74207	0.8
119.08604	1.1
121.06490	1.7
125.02410	1.0
125.05986	1.4
127.03927	100.0
131.08591	1.1
133.10060	1.1
137.05971	0.8
139.78183	0.7
143.08524	1.3
143.39471	0.8
145.04948	11.1
145.10057	1.7
147.08136	0.8
152.07164	1.0
159.11630	0.9
163.06024	1.4
163.11192	1.1
166.05113	0.8
170.08151	1.0
173.09686	1.8
187.06010	8.3
199.08643	0.7
205.12343	0.8
205.15701	0.8
215.10689	0.8
219.60454	0.8
241.09837	1.7
242.10632	1.3
243.11374	0.8
253.07019	3.7
257.13831	0.7
271.08163	1.8
281.11884	0.8
302.17410	0.9
334.19824	0.8
377.11880	0.9
377.16354	0.9
381.31546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.6
55.01880	0.8
55.05494	1.4
57.03427	3.0
61.02924	1.3
67.05479	0.9
68.30270	0.7
69.03436	17.1
69.07079	3.4
69.33301	5.9
71.04999	6.4
71.08636	3.3
72.73775	0.6
79.05492	1.4
81.03423	30.0
81.07062	1.5
85.02909	54.9
85.17535	0.6
86.77962	0.6
91.05508	1.3
93.07042	1.7
95.04960	1.3
95.08598	1.1
97.02906	4.8
97.06549	0.7
97.89152	0.7
99.04460	30.2
103.03947	54.5
105.07044	2.2
107.08551	1.3
109.02885	27.5
111.04448	0.8
111.11694	0.8
119.08640	1.1
121.06519	0.6
121.10123	1.3
127.03925	100.0
129.12852	0.9
131.08577	1.3
133.10179	0.8
145.04967	10.8
145.10106	1.1
159.11731	1.4
163.11255	0.7
173.09596	0.9
187.06053	8.6
187.11011	1.1
230.12543	1.0
231.04970	0.8
233.11884	0.8
241.09805	1.0
253.07036	3.7
255.11240	0.8
256.12094	1.4
257.10345	2.6
271.08203	3.1
275.14920	1.4
281.92474	0.8
377.12158	1.1
377.17728	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	377.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.8
55.01868	1.9
55.05508	1.9
56.96545	0.8
57.03429	2.2
61.02904	0.8
62.62292	0.9
62.94671	0.7
67.05506	1.6
69.03088	1.5
69.03433	17.1
69.07066	1.9
69.35030	2.4
69.35452	4.2
70.06578	1.8
71.04999	6.5
71.08645	1.0
72.08151	1.0
73.02906	1.1
79.05486	1.7
81.03423	31.8
81.07059	2.3
83.04971	0.8
85.02910	53.1
86.09708	1.6
91.05470	2.4
93.07014	2.1
95.04953	1.4
95.08631	1.6
97.02879	5.7
97.06522	1.2
99.04462	31.4
103.03950	53.4
105.07014	1.3
107.08590	1.5
109.02890	25.3
109.06557	0.8
109.10138	0.9
109.61620	0.8
116.07119	0.9
120.08089	1.1
121.10107	1.7
127.03926	100.0
130.05011	1.2
133.10091	1.1
135.11716	0.8
137.05893	0.8
145.04959	13.7
145.10124	1.0
147.08139	0.8
147.11649	1.2
163.03952	1.0
163.05989	0.9
181.04898	0.8
181.21645	0.8
187.06041	10.2
227.08122	1.9
227.11708	0.9
230.15533	0.8
241.09712	4.0
242.10506	2.8
243.11275	1.9
253.07047	3.1
255.11287	2.5
256.12048	2.1
271.08121	2.2
283.10724	1.3
284.11569	1.6
285.12347	1.3
301.11752	1.4
302.12540	1.2
331.11136	1.5
333.09180	1.0
345.10898	1.1
377.12308	2.8
377.18991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.2
55.56601	4.8
57.07066	13.1
67.05509	33.5
69.03417	7.1
69.07069	46.3
70.77720	12.8
71.04981	5.9
79.05479	18.9
81.03411	6.9
81.06597	6.2
81.07063	100.0
83.04978	7.9
83.08623	13.9
85.06544	11.5
86.04362	4.6
87.04478	5.8
91.05499	10.1
93.07059	50.1
95.08605	73.3
97.06524	15.2
97.10196	28.7
105.07009	18.3
107.08604	47.6
109.06554	4.5
109.10172	29.7
111.08057	11.2
111.11710	10.9
119.08574	17.2
121.10146	26.2
121.61277	4.6
123.08070	5.4
123.11719	72.6
131.08508	6.8
133.10109	11.8
135.11684	16.0
137.13243	17.2
139.11151	20.1
145.10144	7.1
147.11688	5.4
149.13271	39.4
153.12715	6.1
155.14394	7.6
157.12206	20.9
159.11710	7.1
163.11183	5.7
163.14868	7.7
184.08620	4.8
187.13300	23.6
202.54163	5.0
237.18379	5.1
249.18590	5.7
293.24738	10.6
305.24780	59.6
323.25760	21.0
353.16193	5.3
363.03702	5.4
377.13812	7.2
377.24985	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	378.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90998	1.5
53.03930	2.1
55.01875	2.3
55.93052	1.3
57.03426	5.1
61.02920	4.6
67.78024	1.3
69.03434	11.5
71.04993	1.7
71.50452	1.8
72.08149	2.6
73.02905	2.9
76.01842	1.3
79.05508	2.9
81.03410	4.2
81.34071	1.4
85.02910	49.8
86.09701	2.8
87.04475	1.6
91.03928	1.8
93.03454	1.8
97.02911	14.2
98.03231	1.7
99.04448	2.1
107.04955	12.0
109.02878	5.1
111.04455	7.6
124.27415	1.4
127.03918	13.0
129.05481	4.9
130.05817	2.5
135.04417	28.1
137.06029	1.7
139.03891	17.9
145.04976	15.2
153.05475	100.0
163.03943	3.5
163.06062	2.0
180.08693	3.3
181.04970	24.9
182.76656	1.5
199.06036	35.3
203.04083	1.6
203.12100	1.9
203.70479	1.3
301.59985	1.5
378.87854	1.8
379.06671	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	378.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.5
55.01869	6.0
55.05512	11.9
57.03429	7.4
61.06992	4.0
67.05515	25.2
69.07076	8.5
69.82558	18.6
71.04986	15.6
79.05502	21.1
81.03419	22.4
81.07058	21.7
83.05017	4.9
85.47665	4.1
89.23185	3.8
91.05485	23.5
93.07059	21.4
95.04967	48.3
95.08592	16.7
97.06538	7.0
98.21494	7.9
103.47386	3.8
105.07036	18.6
107.04966	76.1
107.08583	6.7
108.87867	4.7
109.06522	100.0
109.07262	7.5
109.10135	6.7
111.04438	4.7
113.06003	13.0
117.07037	13.9
119.08602	20.1
121.06514	24.9
123.04430	4.3
123.08050	9.0
129.07025	6.4
131.08595	11.0
133.06493	8.0
133.10123	10.4
135.08060	9.6
137.09608	4.7
141.06927	4.0
143.08604	6.1
145.10153	5.3
147.08092	13.1
147.11713	10.7
149.05946	6.7
157.10066	6.7
161.09663	6.5
165.09154	31.3
171.11772	8.3
175.11224	12.8
189.12816	5.9
191.10724	8.3
199.11214	6.1
217.12245	13.3
219.13820	7.5
233.15430	12.3
235.13286	64.8
237.14775	5.4
271.16876	5.9
275.10574	7.9
289.17972	53.7
325.15662	9.6
378.26443	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	378.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.6
55.05510	11.0
57.03431	13.2
65.03943	4.2
67.05499	22.1
69.07080	12.7
71.04981	9.7
71.53292	4.4
79.05495	16.5
81.03439	30.0
81.07047	20.7
85.02916	5.1
85.06535	4.7
91.05486	23.5
93.07054	25.1
94.44206	3.8
95.04969	58.2
95.08617	11.4
97.06537	7.7
103.05499	5.3
105.07034	16.9
107.04964	73.7
107.08646	8.3
109.06519	100.0
109.10124	6.4
113.06039	9.0
117.07014	8.1
119.08604	19.7
121.06509	30.4
123.04484	5.3
123.08114	6.8
129.07005	6.1
131.08563	13.6
133.06508	9.9
133.10112	10.9
135.08052	9.1
137.09637	4.4
142.07744	4.3
143.08531	5.9
145.06557	4.6
147.08087	5.4
147.11684	12.7
149.06018	5.6
157.10133	9.9
159.21855	3.9
161.09654	4.8
165.09140	26.6
169.00584	3.7
171.11682	5.2
175.11180	10.6
177.12842	4.9
178.67651	4.3
180.87532	4.4
189.12782	5.3
191.10735	13.0
194.92078	4.6
203.10800	4.3
217.12238	5.7
219.13824	13.0
233.15414	11.4
235.13304	54.1
237.14880	7.5
247.13379	4.5
271.16876	8.3
275.10391	8.6
289.17914	40.8
292.12238	4.6
307.19217	5.2
325.15536	13.7
378.26184	16.6
380.44995	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	378.3004
Annotation	Madangolide
Peak:m/z	Relative Intensity
53.03934	1.2
57.07074	5.3
58.06597	2.5
58.93830	0.8
61.61557	0.8
62.89764	0.9
69.45345	5.0
69.45754	1.3
70.06599	13.2
71.08627	3.1
80.83589	0.9
88.07632	17.0
94.62321	0.8
95.04963	1.7
98.57006	0.9
102.09184	15.5
105.03401	52.9
105.07040	1.1
136.95140	0.8
149.05992	91.2
150.06418	1.7
153.74448	1.0
154.78268	0.9
256.26376	58.4
276.46014	1.3
315.68262	0.9
319.95493	1.0
378.30048	100.0
379.30368	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	378.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	2.0
57.07061	2.5
58.06605	7.8
70.06587	1.6
71.08614	1.2
71.52862	1.1
71.53314	1.0
72.08160	9.1
75.04477	0.7
81.07012	0.7
86.06077	2.1
87.04482	1.6
89.06004	1.1
95.30853	0.7
100.07629	1.7
109.10139	0.9
118.08642	4.1
130.08627	1.5
132.10205	33.3
148.09686	1.1
168.93692	0.6
206.13943	1.2
210.13237	0.9
212.23776	0.7
226.25218	0.8
244.74075	0.7
278.63876	0.9
286.27429	36.3
360.30972	1.3
377.56781	0.9
378.32147	100.0
379.32443	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	1.6
69.03443	0.7
69.07066	1.1
70.06597	1.7
70.43613	1.3
70.44003	1.3
71.05006	0.8
79.05520	1.5
81.03416	1.1
81.07040	1.9
83.04992	1.2
84.04522	1.1
85.02911	0.7
85.06579	0.6
86.09710	1.1
91.05494	8.3
93.07031	1.5
95.04954	0.6
95.08608	1.4
99.04430	0.7
105.07054	1.4
109.02883	2.2
109.10204	0.6
112.19799	0.6
116.03957	0.6
117.07071	0.8
119.08582	1.5
123.08076	1.0
127.03897	0.7
131.08604	1.1
133.10152	0.8
145.10110	0.8
152.05685	8.6
153.04160	0.6
161.09564	0.9
181.04993	3.0
197.11656	0.7
221.15373	0.7
227.05318	1.0
271.04279	2.2
289.18109	1.4
293.09915	2.6
307.18997	0.9
311.09787	1.7
333.13400	0.9
335.11044	28.1
362.18222	1.2
379.10016	100.0
380.10226	1.5
380.19296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46470	0.4
53.03951	0.8
54.32392	0.4
55.01879	3.3
55.05514	0.6
57.03436	1.4
65.03942	2.2
65.14970	0.4
67.05502	1.3
68.99799	0.6
69.03432	1.9
69.07086	0.6
70.56807	0.4
71.01331	0.9
71.05004	0.9
71.52514	0.6
72.08179	0.7
73.02935	0.6
79.05502	1.3
81.03426	3.7
81.07046	1.5
83.05006	1.1
85.02912	6.3
87.04532	0.4
91.05487	100.0
92.05794	0.8
93.07049	1.1
95.04985	1.0
95.08604	1.4
96.82295	0.4
97.02904	2.0
97.06528	0.5
98.97594	0.7
99.04450	3.5
103.03952	3.8
103.05463	0.6
105.07046	4.3
107.04919	0.5
107.08579	1.2
109.02901	5.5
109.10158	0.8
111.04453	1.0
115.03963	0.4
115.05460	1.0
117.07014	5.8
119.08595	1.3
121.06520	1.1
126.60944	0.5
127.03920	7.0
128.06192	2.4
129.05505	1.1
129.07024	8.0
131.04909	0.7
131.08562	1.3
132.95847	1.7
133.06467	2.2
135.08081	0.5
141.07033	0.9
143.05031	0.5
143.08571	4.6
145.04967	4.9
145.06479	4.9
145.10202	0.4
147.08072	1.4
149.06033	0.8
150.96902	0.7
152.05713	0.9
153.07027	1.9
155.04938	2.2
155.06059	0.8
155.08542	0.5
157.06500	1.9
157.10103	0.5
169.06526	0.8
171.08070	5.3
172.98978	1.0
173.05994	5.8
175.07574	1.6
175.11250	0.4
179.07021	0.6
181.04970	0.6
181.06485	1.0
187.06094	0.9
189.09163	0.8
198.96944	0.5
199.07545	9.7
199.11284	0.6
216.97984	0.7
217.08635	5.4
217.12361	1.0
234.98969	0.5
235.09793	0.8
259.09946	0.7
269.39465	0.6
277.10739	2.9
279.20029	0.5
361.12991	0.7
379.21719	0.6
380.45648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47582	1.4
53.03949	8.3
54.53754	1.3
55.01863	2.0
55.05515	25.9
57.03432	3.7
62.80869	1.3
69.03438	27.6
69.78638	1.4
70.03267	5.1
70.03699	2.9
70.06574	1.8
71.04587	1.2
71.04986	7.7
73.02911	2.5
73.06560	75.3
78.32015	1.4
80.43567	1.5
81.03423	33.1
83.04996	2.4
85.02908	75.1
86.09700	1.9
97.02898	60.4
99.03849	2.9
99.04460	42.0
101.06021	61.4
103.03944	52.4
109.02877	25.1
111.04424	1.8
115.07554	4.8
127.03923	100.0
131.07010	1.8
141.09128	2.0
145.04959	17.8
153.09106	1.6
157.08594	8.7
169.08582	6.2
181.04929	1.5
181.08583	6.2
187.06049	5.6
199.09702	14.7
207.06456	2.3
217.10704	6.1
253.06937	1.9
259.11789	28.8
271.08194	4.1
277.12900	2.5
343.13776	2.0
361.14661	1.8
379.09924	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	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03949	1.6
55.05510	4.9
57.07080	13.2
59.04997	2.3
61.00212	1.0
65.03953	1.0
65.19257	0.9
67.05502	7.5
69.07069	25.1
71.08640	5.4
71.53616	1.0
73.06548	3.0
74.15575	0.7
79.05493	6.1
81.07062	9.7
83.04970	1.0
83.08601	2.3
85.06538	3.4
85.10178	4.7
87.04471	0.9
88.47735	0.9
89.06033	21.5
91.05474	6.5
93.07040	20.5
95.04985	1.4
95.08614	7.5
97.06518	2.7
101.09663	17.0
105.07039	5.5
107.08601	26.1
109.06510	6.6
109.10175	3.4
111.08075	3.8
113.05940	0.9
117.09125	1.0
118.17979	0.9
119.08571	4.5
121.06506	1.7
121.10146	8.8
123.08047	6.8
125.09642	3.1
131.08562	2.5
133.08630	7.7
133.10132	2.3
135.08064	22.9
135.11732	3.0
137.05977	3.0
137.09680	1.8
139.07549	8.0
139.56197	0.9
141.16360	1.3
145.10184	2.3
147.11711	2.0
149.02473	1.3
149.09608	2.7
149.13286	6.7
152.08357	6.3
153.09129	1.5
157.10020	1.3
159.11615	2.0
161.09660	1.6
165.09119	18.7
177.11357	1.5
177.12720	7.3
178.13478	1.1
179.14288	7.5
181.15889	9.1
189.12714	1.4
191.14278	6.0
194.12805	0.9
195.12149	1.0
209.15381	17.3
239.14908	3.2
263.20154	2.9
291.19595	3.8
329.24857	1.9
347.25815	100.0
348.26218	2.2
379.28458	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	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
51.68565	2.1
55.01870	4.8
55.05520	11.9
56.40250	2.3
57.03420	3.0
57.07079	36.1
65.03947	2.2
67.05508	13.7
69.07066	23.3
71.52689	2.0
71.53094	3.0
79.05511	15.5
81.07066	29.9
83.04970	7.7
83.08621	7.5
85.06539	22.5
86.09737	2.8
91.05487	8.9
93.07050	25.6
95.04961	3.8
95.08622	23.9
97.06538	10.5
97.10191	2.7
105.07036	7.8
107.08599	23.4
109.06524	18.5
109.10154	8.4
111.04443	6.8
111.08064	5.9
113.43929	2.2
115.01989	1.9
118.81964	2.5
119.08577	10.8
121.03631	2.1
121.10139	10.0
123.08073	13.1
123.11694	4.1
125.05986	4.9
131.08585	3.3
133.10132	8.5
135.08069	22.5
135.11710	10.5
137.05994	35.3
137.13257	2.9
139.07521	4.4
145.10138	6.8
147.08076	2.6
147.11699	8.1
149.09619	7.7
149.13338	5.1
151.07591	7.1
153.12759	2.3
157.10159	2.8
159.11710	4.3
161.09578	3.8
161.13228	3.3
163.11159	2.4
165.09109	7.5
165.12752	5.6
169.56198	2.2
175.11212	3.6
177.12802	10.2
179.10748	2.7
179.14307	3.7
189.16472	2.3
191.14365	2.9
195.13824	2.3
248.48039	2.1
263.20071	15.8
277.18030	3.0
291.19235	2.2
299.05844	3.3
305.21585	2.7
305.24878	4.0
309.13351	2.0
319.26282	8.6
323.22311	2.8
329.24860	5.4
347.25848	97.5
351.29004	40.6
361.27347	36.5
379.28479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2844
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03947	3.7
55.01865	2.7
55.05296	2.2
55.05515	19.6
57.07087	18.9
58.63107	2.0
67.05505	20.1
67.84019	2.0
69.03443	2.3
69.07070	25.4
69.17636	24.0
71.04990	1.9
71.08624	6.2
72.84541	2.0
77.92141	2.2
79.05505	14.2
81.07061	34.1
83.04971	6.4
83.08624	9.9
85.06528	9.9
89.06034	2.5
91.05491	11.6
93.07045	21.9
95.04979	3.9
95.08611	34.9
97.06531	15.1
97.10201	2.8
98.21516	5.6
98.75787	2.3
99.08104	2.4
105.07044	13.4
107.08595	29.8
109.06548	12.0
109.07158	2.4
109.10165	15.4
111.04445	38.2
111.08071	6.3
117.07027	4.7
119.08582	12.4
121.06560	2.5
121.10154	9.6
123.08070	13.5
123.11751	3.0
125.05988	17.0
125.09572	2.5
131.08582	3.2
133.10149	6.8
135.08072	22.1
135.11691	21.1
137.05998	11.0
137.09589	3.9
137.13268	3.2
143.08572	2.6
145.10181	12.9
147.11717	5.9
149.09607	5.9
151.07542	6.4
153.12743	8.0
157.10275	2.5
158.22327	2.1
163.11250	7.4
165.12769	7.0
167.14278	2.8
177.12781	4.8
179.14345	5.2
181.12251	12.5
183.13795	3.0
193.12393	2.3
195.13844	3.8
205.15878	3.4
221.08797	2.7
221.19002	3.3
231.15881	3.4
235.20610	2.7
249.18529	2.8
303.26587	2.4
305.24753	88.0
319.26328	23.2
329.24878	4.1
347.25812	100.0
351.28937	30.6
361.27493	20.7
379.28467	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28753	18.2
75.08772	2.2
77.51890	2.0
81.03812	2.0
82.31604	2.3
112.90813	2.2
129.89363	2.2
201.01640	2.8
270.13141	2.3
381.07962	100.0
395.64673	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	381.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86573	1.4
68.86929	1.5
69.94022	4.0
69.94432	2.7
75.32659	1.1
77.19527	1.3
107.83254	1.2
158.51254	1.3
195.67137	1.3
201.01616	3.7
210.76266	1.6
219.02649	4.1
353.67657	1.4
381.07953	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.3
55.01878	28.0
55.05513	52.2
56.96572	2.7
57.03436	63.0
57.07066	3.6
59.04992	7.8
61.02926	4.8
62.85157	2.7
65.97468	2.7
67.05513	55.6
69.03429	8.4
69.07075	26.8
70.06588	6.4
71.01357	4.1
71.04989	7.4
71.52617	4.3
73.02937	4.0
79.05070	5.2
79.05495	71.8
81.03415	27.4
81.07056	84.1
83.01338	10.7
83.04980	50.6
83.08621	34.8
84.02132	6.5
84.04504	4.2
85.02908	10.7
85.06559	3.1
89.03970	2.7
91.05485	45.8
93.07047	63.3
95.04966	27.3
95.08607	32.0
97.02894	13.4
97.06517	23.4
97.10174	23.5
99.04446	8.3
99.08120	6.9
100.11271	5.6
103.03938	5.4
105.07037	29.7
107.04953	20.6
107.08587	42.3
109.02850	4.5
109.06522	15.3
109.10157	18.4
111.04448	34.2
111.08092	16.1
117.03398	8.0
117.07012	19.4
119.08581	37.2
121.06514	13.2
121.10139	28.1
123.08047	18.7
125.06023	6.2
125.09635	20.5
127.03976	3.6
129.05489	8.3
129.07016	10.6
130.07788	4.0
131.08554	19.3
133.10135	12.7
135.08055	16.6
135.11687	42.4
137.09618	16.8
139.11185	3.4
141.07066	3.6
143.08548	7.1
145.02853	18.0
145.06468	6.7
145.10127	45.8
147.08044	7.9
147.11679	8.1
149.09627	9.4
151.11136	2.9
153.09058	7.6
153.12740	17.4
154.12263	6.3
155.08577	5.2
157.10124	5.6
159.08046	11.6
159.11722	5.9
161.09637	7.5
163.07535	3.8
163.11194	74.6
169.10118	3.6
171.10219	4.8
173.09637	31.0
173.13300	3.6
175.11163	3.5
177.05453	30.8
177.09067	4.6
181.12222	24.0
189.11249	21.0
191.10678	21.3
193.12288	5.8
199.14827	3.2
209.11740	61.7
210.14980	3.4
211.11278	3.0
211.15164	3.6
224.34627	3.1
227.12775	56.1
239.11189	3.1
242.29776	2.8
243.17487	7.7
261.18591	7.4
271.16928	15.2
283.15387	100.0
284.16156	12.1
289.18033	37.7
307.18985	9.7
363.21677	9.8
381.18719	50.2
381.22763	73.6
381.28378	6.1
381.29327	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	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01878	20.3
55.05514	51.1
57.03440	43.8
59.04996	5.4
67.05512	55.5
69.03426	10.0
69.07074	25.2
70.06586	4.7
71.01328	4.4
71.04987	10.8
71.52405	3.0
71.52840	3.8
73.02930	4.3
75.04102	3.2
77.03920	4.4
79.05494	63.9
81.03426	21.4
81.07059	67.8
83.01340	9.3
83.04989	31.6
83.08627	26.8
84.02118	5.8
85.02917	5.4
85.06553	4.3
91.05486	39.9
93.07046	57.0
95.04960	24.5
95.08614	32.5
97.02891	24.7
97.06524	18.6
97.10169	28.0
97.72948	3.5
99.04460	7.2
99.08083	8.2
105.07029	29.8
107.04960	22.6
107.08597	39.1
109.02911	4.5
109.06520	17.5
109.10152	14.7
111.04456	24.1
111.08063	12.9
117.03374	12.7
117.07012	24.3
119.08591	38.1
121.06514	18.4
121.10165	18.5
123.08060	21.4
125.06006	4.9
125.09625	25.1
127.03851	5.9
129.06998	5.5
131.08582	24.3
133.06482	4.2
133.10132	14.3
135.08061	24.8
135.11716	22.5
137.09596	13.6
143.08595	5.9
145.02858	35.7
145.06493	5.2
145.10123	29.7
147.08015	9.3
147.11719	11.7
149.06021	4.3
149.09602	13.9
151.07568	5.1
153.12755	11.6
155.08452	4.4
157.10135	6.2
159.08040	9.7
159.11694	6.2
161.09621	7.6
163.11180	58.0
169.10104	6.2
173.09607	29.3
177.04070	5.9
177.05490	74.8
181.12204	14.7
187.11238	4.4
189.11247	23.9
191.10677	16.5
206.16182	3.8
209.11716	30.2
211.11267	3.5
225.16348	5.0
227.12830	41.4
243.17451	4.0
253.16171	3.4
261.18506	13.8
271.17023	18.0
283.15421	100.0
284.16174	4.5
289.17987	58.2
307.19156	10.6
335.21808	4.1
337.20404	4.4
363.21875	21.9
381.18646	44.3
381.22681	86.9
381.27844	6.7
393.32220	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.7
55.01852	1.1
55.05508	2.5
56.55179	0.8
67.05515	3.6
69.03431	1.5
69.07061	1.3
69.24586	5.9
69.24987	1.6
70.36840	0.8
72.06823	0.7
79.05506	3.5
81.03397	0.9
81.07075	4.0
83.05022	1.2
83.08619	1.6
83.82310	0.8
89.03918	2.4
91.05493	3.0
93.07059	3.1
95.04973	1.9
95.08614	1.9
97.06563	2.0
97.10179	1.3
103.03939	1.0
105.07077	1.9
107.08620	2.0
109.02884	1.6
109.06558	1.4
109.10158	1.7
113.50951	0.9
117.03391	7.0
117.07018	1.1
119.08579	2.6
121.10142	1.0
125.09634	1.0
131.08601	1.9
133.07954	0.9
133.10194	1.0
135.08060	2.2
137.05966	1.2
145.02861	17.7
145.10152	1.7
149.06061	3.1
151.07516	1.1
157.10190	1.4
161.09618	1.1
165.09163	1.0
171.11708	0.9
173.09642	1.9
177.05486	34.2
220.71313	0.9
243.06882	1.1
253.99222	0.8
261.07623	2.4
269.17770	0.9
289.18198	2.0
289.21545	1.0
313.46188	1.0
353.09875	1.0
363.21609	1.2
370.00818	0.9
381.26193	100.0
382.26218	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.171
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
55.01872	1.9
57.21689	1.9
64.54005	1.5
67.05528	2.4
69.03436	3.6
69.07069	2.4
69.41531	1.5
69.64892	10.6
70.02924	1.7
71.05000	1.5
72.04518	7.4
76.84771	1.8
83.41198	1.6
85.02921	5.0
85.06551	3.4
86.09682	2.0
87.04462	1.8
90.05561	52.5
95.04971	2.3
97.02888	3.9
98.02420	9.3
103.07597	4.0
105.07050	2.9
113.06008	2.1
116.03434	9.5
120.08111	8.0
124.07603	9.8
127.03917	3.2
136.06198	6.6
140.08768	2.0
140.69626	1.7
142.08662	3.5
166.08595	3.1
173.52483	2.0
174.11302	1.9
184.09668	9.7
202.10760	17.7
207.11269	2.4
220.11819	100.0
221.12801	1.8
250.12988	3.9
257.79672	1.8
339.41644	1.9
383.09589	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	382.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01864	4.2
55.05508	5.8
61.46147	1.5
67.05492	6.1
69.03421	4.7
69.07060	4.1
70.65072	4.7
73.20926	1.5
75.24108	1.5
79.05483	4.4
81.07047	4.4
83.04961	5.4
84.04507	21.9
85.02903	3.3
85.06537	21.5
91.05465	8.4
93.07047	4.5
95.04976	1.9
97.06528	5.0
102.05563	8.9
105.07028	9.8
107.08603	3.7
109.06521	14.6
117.06949	3.6
119.04985	1.5
119.08582	18.3
121.06472	2.0
121.10138	2.9
123.08076	3.8
128.06190	1.7
129.07039	2.7
130.04996	12.0
131.08545	4.2
133.06425	3.2
133.10109	9.2
135.08052	99.4
136.06248	2.5
137.05988	3.2
137.09648	2.0
142.07774	1.9
143.08540	11.1
145.06490	3.5
145.10127	4.0
147.06828	4.9
147.08028	32.4
147.11687	7.5
148.06041	17.0
149.06082	2.0
149.09613	32.2
151.07555	5.1
152.05688	4.0
156.09334	6.6
157.10106	6.3
159.08115	1.7
160.08823	3.9
161.09627	6.5
161.13261	8.8
163.07535	18.0
163.11255	1.7
165.09122	1.8
171.11681	10.0
173.09607	1.9
174.10371	4.8
175.07570	16.1
175.11183	48.4
176.10686	3.4
177.07765	3.3
177.09085	4.4
184.08846	2.5
188.08289	2.7
189.09100	3.4
189.12749	51.9
193.12228	31.4
197.19385	1.7
199.11211	10.0
202.09976	2.3
202.12262	3.4
204.10150	2.3
207.13762	4.1
217.12228	100.0
230.15268	2.1
235.13298	69.4
237.31154	1.6
253.14508	2.2
255.45840	1.6
258.14731	2.6
267.72198	1.6
273.13495	11.4
280.12045	1.6
280.21494	1.4
291.14673	5.5
298.12869	21.6
302.17480	64.8
318.16843	3.7
320.18536	77.0
336.18149	5.2
338.16025	4.0
346.16321	3.4
346.20273	3.4
364.17416	61.4
364.21289	11.9
382.18369	16.7
382.22214	49.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.4
53.50009	2.5
59.04992	4.2
61.02922	2.5
63.41280	2.3
63.46944	2.2
69.03430	15.1
70.06583	10.0
70.42827	9.1
71.04985	4.4
75.63014	2.7
81.03426	14.6
85.02913	81.5
87.04456	4.1
96.14661	2.7
97.02904	22.5
99.03866	3.3
99.04470	42.8
103.03949	82.1
105.03375	2.9
109.02902	16.8
110.66730	2.3
120.08105	5.1
127.03934	100.0
145.04973	46.0
163.03929	2.9
163.06026	39.3
187.05981	2.9
205.07114	3.5
213.12325	3.7
245.10152	4.8
271.08200	3.9
279.08762	2.6
289.09241	7.3
307.10226	4.0
371.61871	2.8
383.14191	3.7
402.93927	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	383.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.0
55.05499	13.7
57.03195	4.0
57.03436	46.6
57.07078	3.9
61.40885	2.9
65.03916	4.3
65.15748	2.9
67.05508	84.6
69.03433	4.1
69.07062	9.2
69.24843	17.6
69.25255	8.4
71.04964	5.5
72.85295	2.9
78.03473	2.9
79.05495	33.0
79.24177	2.9
81.03388	3.9
81.07059	33.4
83.04985	4.9
83.08635	7.3
85.06546	36.0
91.05496	28.4
93.07049	29.6
95.04977	73.6
95.08618	18.1
97.06533	7.9
105.07035	24.9
107.04949	12.3
107.08608	22.3
109.05816	4.0
109.06522	73.1
109.10177	25.6
113.05257	5.6
113.06010	100.0
117.07003	14.9
119.08576	17.2
121.06479	5.7
121.10130	7.9
123.08035	4.4
129.07059	5.1
131.08542	17.9
133.10109	11.7
135.08052	56.2
135.11655	8.6
137.05956	13.6
137.09540	4.9
143.08571	7.3
145.10152	15.8
147.08009	7.3
147.11618	6.8
149.09616	6.9
149.13147	3.5
155.10751	3.5
157.10107	7.3
159.08049	5.9
159.11682	6.2
161.09587	10.2
163.11201	4.4
165.09077	3.8
171.11673	4.0
173.11719	9.1
173.13216	3.1
175.11209	5.8
184.07494	4.5
185.09470	4.8
199.14828	5.3
217.15855	16.2
245.19218	3.9
255.17395	6.4
273.18497	53.4
277.18002	7.2
277.63116	4.0
291.19547	84.9
294.12720	3.5
347.22229	5.8
365.23267	36.0
383.14832	4.5
383.24475	14.6
383.30356	3.5
388.90436	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	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01863	4.0
55.05517	4.8
57.02304	0.9
57.03438	3.8
57.07086	1.8
67.05506	14.5
69.07077	5.1
69.94718	4.4
73.04525	0.9
79.05489	4.4
81.07065	28.8
83.04967	2.8
83.08625	3.9
85.06543	1.2
91.05489	4.4
93.07047	6.1
95.08615	7.6
97.06512	2.0
105.07028	5.3
107.08624	4.7
107.09218	0.8
109.06528	11.3
109.10154	9.6
111.04452	15.9
111.08073	1.1
117.06999	1.2
119.08569	5.2
120.76361	1.0
121.10170	5.0
123.08099	2.3
123.11702	1.7
125.05981	6.5
131.08578	1.8
133.10110	5.7
135.08041	3.3
135.11699	3.8
137.05988	100.0
137.13245	2.5
141.09772	1.0
142.06773	0.8
143.08580	1.9
145.10121	1.9
147.08090	1.6
147.11684	5.5
149.09612	3.4
149.13293	2.0
151.07564	2.2
151.11243	1.0
157.10136	1.9
159.11719	2.3
160.05226	1.1
161.09669	6.8
161.13248	1.9
163.11235	3.6
163.14748	1.1
165.09117	2.8
171.11786	1.1
173.11771	2.6
175.11174	5.9
175.14801	0.9
179.10696	1.3
189.12767	1.3
193.12355	1.4
203.17976	6.5
207.06590	1.4
213.16418	2.4
221.19051	2.2
223.14828	1.3
231.17445	8.3
241.15892	1.7
249.18532	12.2
277.18011	90.3
278.18265	1.3
295.19052	13.7
351.21655	8.4
363.38940	0.8
383.24365	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Stemphyloxin I
Peak:m/z	Relative Intensity
53.03944	2.2
55.01865	4.2
55.05511	19.0
57.03434	5.2
57.07058	1.0
67.05505	27.7
69.03439	6.3
69.07071	15.9
69.58245	5.5
71.05006	1.5
79.05495	20.4
81.03412	4.4
81.07058	21.6
83.04973	4.3
83.08632	8.3
85.05999	0.9
85.06542	1.7
91.05486	16.1
93.07045	17.2
95.04966	8.5
95.08611	9.7
97.02924	5.4
97.06538	3.4
97.10166	10.5
99.04458	1.2
105.07044	13.4
107.04967	5.6
107.08603	13.2
109.02892	1.0
109.06513	3.7
109.10148	14.3
111.04450	2.3
111.08078	1.8
117.07014	6.4
119.04890	1.6
119.08577	11.7
121.06511	3.1
121.10149	5.8
123.08080	5.3
123.11716	1.5
125.09641	7.3
129.07016	2.8
131.08586	8.3
133.06500	2.7
133.10138	8.0
135.08057	4.4
135.11676	1.9
137.09605	3.1
143.08548	2.6
145.10152	7.5
147.08063	5.8
147.11713	3.3
149.09612	3.4
151.11191	3.4
157.10103	2.6
159.08022	1.3
159.11722	2.3
161.09596	3.9
163.11235	2.3
165.09201	1.6
169.10013	1.4
171.10216	1.1
171.11635	1.3
173.11731	2.2
175.11172	3.1
177.09099	1.6
179.10623	1.3
185.13318	1.1
186.10323	1.0
187.11122	1.0
189.11314	4.6
189.12717	1.3
193.12299	2.1
205.12299	1.8
223.13300	13.6
227.12790	3.4
227.17796	1.3
245.13869	1.4
245.19041	2.0
253.14359	2.5
255.17398	1.5
263.20084	2.3
268.06711	1.2
273.18503	16.2
286.58896	1.1
291.19553	100.0
309.20474	1.2
339.17929	1.1
347.22012	1.7
365.23251	57.0
366.23596	1.9
383.24341	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.6
55.01869	7.9
55.05523	29.2
57.03436	8.3
59.05012	6.7
66.30717	3.3
67.05177	6.4
67.05508	79.2
67.92176	3.1
69.03416	3.7
69.07076	21.6
71.04984	5.0
71.52930	3.3
79.05495	20.9
79.37776	3.6
81.03428	4.6
81.07058	50.8
83.04981	9.9
83.08622	15.8
91.05486	21.8
93.07040	22.1
95.04955	9.5
95.08613	18.9
97.06528	8.0
97.10168	14.4
105.07024	18.8
107.04981	5.5
107.08594	17.9
109.06525	12.8
109.10165	40.9
111.04462	14.9
117.07040	5.3
117.28841	3.3
119.08584	17.0
120.65957	3.2
121.10156	9.1
123.08095	10.0
125.06034	5.7
125.09640	13.9
129.06969	3.8
129.66110	3.4
131.08609	10.2
133.06538	4.6
133.10155	12.6
135.08058	9.0
135.11716	8.8
136.77045	3.2
137.05997	100.0
137.09660	7.2
143.08522	4.5
147.08022	6.6
147.11708	10.1
149.09671	6.0
157.10170	7.7
161.09674	10.4
163.11241	5.7
165.09238	6.0
173.11758	13.9
175.11185	7.2
189.11226	10.2
193.12196	4.2
203.18079	6.6
211.13322	5.0
219.75253	3.7
223.13242	9.8
227.12708	3.9
231.17319	7.1
249.18530	10.3
273.18472	14.0
277.17993	73.3
291.19540	68.1
295.19110	12.8
335.53510	3.7
365.23285	36.0
373.57275	4.0
383.24332	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2578
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05498	10.4
57.03436	4.2
57.07066	14.8
59.04998	7.1
67.05503	32.9
69.03423	9.4
69.07055	11.4
71.53498	7.4
78.42688	4.7
79.05492	22.6
81.07063	32.5
83.04978	11.9
85.06522	7.2
88.84960	4.5
91.05489	35.9
93.07043	79.6
95.04962	23.9
95.05499	4.4
95.08620	39.0
97.06514	11.9
105.07026	68.2
107.04923	4.2
107.08630	39.0
109.06537	26.2
109.10146	23.4
111.08017	4.9
117.07011	12.9
119.08595	42.0
120.09370	4.8
121.06478	16.9
121.10160	37.5
123.08099	27.3
128.06194	4.6
129.06993	9.0
130.07768	7.7
131.08582	32.3
133.06494	10.9
133.10106	20.0
135.08049	26.1
135.11710	5.3
137.09612	12.2
141.06938	5.2
142.07756	13.3
143.08580	26.0
144.09387	5.8
145.10146	36.7
147.08034	17.2
147.11685	12.0
149.09631	30.3
151.07555	32.5
156.09348	10.0
157.10136	33.2
159.11609	11.0
161.09613	14.0
161.13235	9.8
163.11142	6.7
165.09076	29.3
169.10103	6.3
170.10947	5.1
171.11720	6.9
172.08881	6.5
173.09538	7.6
173.13243	10.2
175.11131	15.1
177.09103	12.6
185.13199	14.5
189.12793	8.2
201.12674	5.8
203.14227	23.3
207.13832	9.8
215.14182	6.8
221.13400	10.4
221.15375	80.1
227.14449	5.7
234.16110	8.4
250.56119	4.8
269.12341	5.0
287.19931	7.5
288.39108	4.6
299.19714	5.9
303.19510	8.1
310.69968	5.4
316.60266	5.6
365.24582	13.9
383.25760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2581
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03941	4.6
55.01897	3.3
55.02194	2.2
55.05512	16.2
56.73687	2.0
57.07065	8.1
57.36852	2.3
59.04992	4.8
59.06222	2.2
65.03942	3.1
67.05511	23.1
68.23188	2.4
69.03441	13.7
69.07068	8.5
69.26342	19.0
71.04993	3.5
77.03938	2.6
79.05493	22.9
81.03408	2.8
81.07067	25.9
82.24597	2.1
83.04978	8.0
83.08619	4.3
85.06544	4.8
91.05483	32.8
93.07048	72.5
93.07643	4.0
95.04971	19.6
95.08612	29.1
97.06517	12.8
105.07035	64.3
107.08611	36.9
109.06532	25.6
109.10177	16.5
109.16596	2.0
111.08070	5.7
115.05427	4.1
117.07027	13.6
117.78638	2.1
119.08585	48.6
120.09379	2.4
121.06529	10.9
121.09340	3.4
121.10153	36.6
123.08063	27.7
125.09557	2.7
128.06236	6.0
129.06982	8.8
130.07765	4.1
131.08574	27.4
133.06500	9.5
133.10135	27.4
133.43973	2.0
135.08049	19.2
135.11673	5.1
135.44968	2.0
137.05960	4.0
137.09622	9.7
140.63799	2.1
141.07068	2.7
142.07805	16.3
143.08597	22.9
144.09314	6.7
145.06459	3.8
145.10132	33.8
147.08057	21.4
147.11688	13.3
149.09616	21.2
151.07545	30.4
153.09126	2.3
155.08565	8.4
156.09340	7.3
157.10135	34.4
158.10896	4.0
159.08073	4.2
159.11674	17.6
160.08841	3.6
161.09631	15.8
161.13283	7.4
163.11168	6.3
165.09119	30.0
169.10110	4.5
170.10901	4.9
171.11717	7.0
173.09616	10.1
173.13319	6.7
175.11197	19.0
175.14819	6.9
177.09100	10.7
181.12260	2.9
183.11717	3.9
185.13290	21.2
187.11234	5.8
187.14732	4.2
189.12779	9.6
191.14354	2.7
195.11722	4.1
197.13322	5.5
199.11186	4.3
199.14896	2.5
201.12851	5.8
203.14320	18.3
207.11946	2.6
207.13846	9.3
208.12527	3.5
209.13380	3.1
209.15385	6.9
211.14883	3.4
213.12711	5.9
213.16118	2.4
215.10622	2.5
215.14362	6.7
219.13817	4.7
221.13446	2.4
221.15373	70.8
223.14784	3.9
223.62131	2.4
225.16318	2.3
227.14282	6.8
230.96214	2.3
231.13826	3.4
233.15349	5.1
234.16145	9.8
237.14819	4.4
239.14380	2.5
269.19104	3.0
271.16995	3.4
286.19434	3.8
287.20114	8.1
299.20096	4.6
303.19556	8.3
309.18427	3.4
327.19678	2.9
347.23837	2.9
358.38928	1.9
365.24713	17.6
383.25833	100.0
396.82712	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02379	2.5
53.03936	6.3
54.60323	2.6
55.01868	3.3
55.05510	13.3
57.03422	2.8
57.07068	8.0
59.04991	6.8
65.03948	3.8
67.05507	30.1
68.92046	2.5
69.03426	11.7
69.07072	11.0
69.58918	9.3
69.59331	4.9
71.04996	7.5
79.05499	25.6
81.07067	34.8
83.04985	8.4
83.08616	4.2
85.06545	7.0
88.31819	2.5
91.05482	38.4
93.06485	5.2
93.07052	81.6
93.07648	5.1
95.04968	29.6
95.08612	38.6
97.06503	17.9
103.05457	2.5
105.04532	2.5
105.07043	71.6
107.04966	3.2
107.08603	43.7
109.06519	24.7
109.10175	21.6
111.08089	8.9
115.05474	4.3
116.06198	3.9
117.07017	12.5
119.04969	3.0
119.08588	55.6
120.09402	4.2
121.06506	11.8
121.10158	41.7
123.08067	28.6
125.09660	3.1
128.06218	7.1
129.07028	13.8
130.07788	6.7
131.08592	38.1
132.09361	2.6
133.06496	10.7
133.10129	27.1
135.08049	18.9
135.11728	4.5
137.09615	13.7
139.11182	2.7
141.06885	3.2
142.07820	15.1
143.08568	27.0
144.09344	7.1
145.10135	47.5
147.08090	21.9
147.11711	14.7
148.08820	3.0
149.09654	24.0
151.07561	32.8
153.09122	4.1
155.08577	10.5
156.09320	9.6
157.10132	39.8
159.08066	9.0
159.11700	13.8
161.09633	21.3
161.13257	8.9
163.11192	5.0
165.09109	33.9
167.08562	5.0
169.10165	4.7
170.10902	6.0
171.11699	10.2
173.09618	11.7
173.13289	5.6
175.04468	2.6
175.11235	23.2
175.14839	9.1
177.09142	10.7
178.09906	3.6
179.08437	2.8
179.10727	2.7
179.14320	2.6
181.10110	2.9
181.12239	4.3
182.11079	2.6
183.11700	7.9
185.09711	3.5
185.13246	17.0
187.11163	3.7
187.14792	7.2
189.12737	11.0
191.14246	4.7
193.10085	3.6
195.11714	6.3
195.13441	2.4
197.13283	11.3
199.11186	5.0
199.14861	2.8
199.90489	2.5
201.12831	8.4
203.14337	29.2
207.11894	3.7
207.13828	11.8
209.13348	4.3
209.15390	4.8
211.14836	5.3
213.12779	6.3
215.14343	13.8
217.12285	2.5
219.13867	6.5
221.13411	3.8
221.15367	73.6
225.12804	4.5
225.16377	2.6
227.14342	8.0
233.15425	8.0
234.14070	3.2
234.16058	13.6
243.13867	5.8
254.11499	2.5
265.15784	2.8
269.19052	3.1
286.19315	6.3
287.20102	14.4
303.19580	6.1
325.21692	3.7
327.19638	2.7
365.24826	16.4
383.25848	100.0
384.26068	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2584
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03947	9.5
55.01878	9.3
55.05522	30.3
57.03430	13.3
57.07072	6.7
65.03933	5.3
67.05511	91.2
67.09282	3.8
69.03429	13.2
69.07079	25.5
69.12189	4.1
71.05010	7.6
71.52587	6.4
79.05502	46.1
81.03394	3.9
81.07057	67.9
83.04984	13.6
83.08623	16.0
85.06544	7.4
91.05486	60.2
93.07056	70.1
95.04994	34.5
95.08620	42.4
97.06551	11.2
105.07040	73.4
107.04972	14.6
107.08611	63.0
109.06507	21.3
109.09473	7.6
109.10165	100.0
110.36106	3.4
111.04392	4.6
111.08102	8.9
116.06185	4.2
117.07014	18.5
119.08611	38.4
121.06519	16.3
121.10146	38.2
122.66596	3.9
123.08078	15.4
123.11695	9.1
128.06232	6.0
129.07022	8.5
131.08586	37.7
133.06514	17.8
133.10143	52.8
135.08075	26.7
135.11690	6.6
137.09666	7.2
139.07599	5.0
142.07764	7.9
143.08562	22.1
144.09355	5.1
145.10126	33.3
146.07303	3.6
147.08031	23.2
147.11691	15.8
149.09671	29.8
151.07587	12.3
151.11168	21.9
155.08565	6.1
156.09325	6.5
157.10152	29.6
159.08072	10.2
159.11729	11.8
161.09671	18.2
161.13307	4.7
163.11163	4.9
165.09143	15.2
167.10530	4.2
169.10114	5.8
171.11687	9.6
171.21516	3.6
173.09621	6.7
173.11749	5.4
173.13231	5.0
175.11214	16.0
177.09164	16.5
181.10123	5.0
183.11723	4.8
185.13249	14.5
185.87289	4.1
189.12733	9.0
195.11789	6.4
203.14380	7.9
207.11938	4.4
207.13936	5.2
209.13275	7.3
213.12708	4.6
219.13834	4.0
221.15379	26.1
223.14925	4.2
227.14342	5.7
231.13948	4.2
233.15317	9.4
234.16209	8.3
245.19035	8.6
253.14417	14.3
269.13779	6.1
271.15411	9.9
273.18463	32.5
287.19928	4.3
291.19568	36.0
295.01660	4.7
299.19925	4.4
347.22336	5.8
365.23245	51.6
383.25876	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.01870	1.8
57.03435	1.8
61.02921	1.5
69.03441	8.7
70.09870	6.1
71.04974	4.0
76.43306	1.7
81.03429	11.1
85.02907	70.5
88.01819	1.7
97.02899	14.2
99.04461	36.0
103.03945	87.3
109.02875	15.0
110.07180	2.8
111.68639	1.8
118.52148	1.5
127.03921	100.0
140.26711	1.3
140.82767	1.4
145.04958	66.2
146.05237	1.7
163.06023	52.5
187.06000	5.2
205.07071	2.7
234.01901	1.5
256.75073	1.9
271.08093	6.7
289.09180	6.4
307.10199	12.4
349.14862	3.6
384.21329	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	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
69.03428	10.5
69.76351	9.0
71.04977	3.2
71.55678	1.5
73.02903	2.1
81.03427	12.2
85.02905	76.1
97.02885	18.2
98.21492	3.3
99.04456	40.7
103.03945	89.1
109.02883	10.7
111.09126	1.5
115.03894	1.8
127.03919	100.0
145.04959	58.4
163.06020	56.9
177.35590	1.3
187.05991	4.6
196.35776	1.6
205.07098	2.6
235.18019	1.8
245.46310	1.7
271.08231	7.3
289.09158	6.8
307.10190	11.8
349.14948	3.6
378.34192	1.8
384.21152	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	384.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.3
53.21358	1.3
56.64812	1.3
57.03435	2.0
57.07059	1.9
61.02922	2.2
67.32428	1.4
69.03436	11.5
69.94735	6.6
70.06579	4.8
71.04983	4.7
73.02916	1.7
74.57063	1.5
81.03413	11.9
83.06104	1.5
84.04501	1.5
85.02908	70.8
85.06538	3.1
85.19621	1.4
91.03970	1.7
91.05475	2.0
95.04980	1.6
95.06075	1.6
97.02303	1.8
97.02896	22.0
99.04459	36.0
103.03945	83.6
109.02882	15.5
109.10143	4.0
110.07156	6.9
121.06557	1.5
123.11727	1.4
127.03920	100.0
145.04965	58.4
163.06020	48.1
169.12212	1.8
175.08368	1.4
187.05988	4.9
187.13257	1.6
205.06970	3.6
223.13293	1.5
253.07018	1.5
271.08185	8.5
289.09183	5.8
292.53574	1.4
307.10251	10.1
338.20483	2.0
349.14856	3.8
378.33902	1.5
384.15225	4.3
384.21295	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	385.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29991	0.2
63.14218	0.2
71.50898	0.4
98.97549	1.2
101.00900	3.1
105.03358	0.3
116.98622	0.6
119.01928	5.4
125.27186	0.3
134.99849	0.4
137.02885	0.6
140.98810	0.5
158.99905	2.0
174.19366	0.3
175.02919	0.3
177.00967	12.8
178.01088	0.6
182.99919	1.0
191.00108	0.3
195.02049	0.3
201.00931	2.9
207.01326	0.3
208.01534	0.3
209.01134	0.4
217.04100	3.1
219.02017	23.2
220.02115	0.8
225.00841	3.1
235.00012	0.4
236.99806	0.6
243.02000	11.3
244.02126	0.5
259.00006	1.8
260.00238	0.5
261.03079	100.0
262.03235	4.0
263.03207	0.8
277.00946	0.9
278.00864	0.3
279.00717	0.8
282.99991	5.0
284.00195	0.9
284.04688	1.6
284.99921	1.4
301.01056	3.6
302.01334	0.5
303.01019	1.4
324.94305	0.4
325.01068	0.8
327.79214	0.3
342.95142	0.3
343.02139	1.8
361.00223	0.5
367.02213	2.3
380.17511	1.0
385.03229	20.3
386.03265	0.8
391.30884	0.3
403.04526	17.8
404.04446	0.9
408.04459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	9.7
61.02901	5.9
63.52142	3.7
68.99783	7.6
69.03434	14.0
69.27670	15.2
69.28090	12.6
70.06587	14.5
74.06064	5.3
79.05502	6.5
81.03437	20.5
85.02436	6.0
85.02908	72.8
87.00813	12.4
91.05475	21.4
93.07055	7.2
95.04969	3.9
97.02912	10.3
97.06548	5.1
98.20818	7.5
103.03964	8.4
103.05450	7.4
105.01898	3.2
105.07038	29.4
109.02877	5.2
109.06506	5.3
110.07191	6.9
115.05464	12.2
117.07019	9.5
119.04939	15.9
119.08574	7.6
121.06503	4.3
121.10117	6.2
122.78238	3.5
123.04415	10.3
123.08059	4.7
127.03913	10.4
128.06229	10.0
129.01843	8.0
129.07002	27.4
131.04944	9.9
133.06491	24.9
136.06227	5.0
137.02330	14.8
137.05991	42.6
141.06987	4.8
143.04926	11.1
143.08623	7.7
145.04988	4.3
145.06480	12.3
145.10019	3.6
147.04427	36.3
147.08046	11.6
147.09152	3.9
149.06017	23.1
151.07559	49.1
153.06985	7.6
157.06482	25.8
158.51088	3.5
159.08051	4.3
159.11717	4.4
160.05270	4.7
161.05980	68.1
161.09579	3.9
162.04137	10.5
163.03880	5.6
163.07547	4.9
163.11200	5.6
165.05476	100.0
167.07002	4.7
169.06529	7.7
171.02988	8.5
171.08025	7.5
173.06033	18.6
175.07547	29.6
177.05504	7.3
177.12695	4.3
179.07039	56.1
181.06522	7.3
185.05997	17.2
187.07567	8.2
189.03941	23.2
189.05498	12.6
191.07014	20.3
191.73244	3.9
195.06587	4.6
199.07556	15.6
203.05261	2.8
203.07042	77.8
205.08684	5.3
205.12274	12.7
215.07034	7.2
217.08644	18.8
221.08125	29.9
223.13301	13.3
227.07031	11.2
233.08167	8.1
245.08101	52.1
263.09109	27.2
281.10123	5.4
289.06906	4.6
349.09274	13.5
367.23166	3.8
385.14554	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01858	8.3
57.03431	5.4
61.02916	9.5
68.99804	6.3
69.03435	22.0
69.98923	7.7
69.99313	4.8
70.06589	6.8
71.01348	3.6
72.08157	5.3
73.02902	4.6
79.05490	5.5
80.21765	3.4
81.03423	28.3
81.07076	2.9
82.24696	2.7
85.02443	5.0
85.02908	77.1
86.09715	5.3
87.00840	18.5
87.04445	3.3
91.05472	28.0
93.07043	6.8
95.04944	3.4
97.02880	12.8
103.03918	10.3
103.05457	7.5
105.07029	24.1
107.04926	5.1
107.08601	3.9
109.02863	10.2
110.07166	5.3
111.04479	2.8
115.05442	14.2
117.07003	9.9
119.04967	21.4
119.08603	4.3
121.06503	7.8
123.04422	9.7
127.03910	16.4
128.06215	12.7
129.01804	6.3
129.06999	35.0
131.04924	9.8
131.08580	5.0
133.06462	23.8
137.04985	2.0
137.05968	58.4
143.04909	12.9
143.08557	3.8
145.04921	5.1
145.06458	12.3
147.02719	3.1
147.04446	35.6
147.08069	9.7
149.06006	21.6
151.07542	47.4
153.06981	7.6
155.06116	3.8
157.06503	32.8
160.05196	7.8
161.05980	64.4
163.03835	5.5
163.07536	7.7
163.11150	6.0
165.05478	100.0
167.07013	5.2
171.02873	7.8
171.04362	5.5
171.08122	4.7
173.04662	3.2
173.06003	18.0
174.06866	3.6
175.07559	35.9
177.05452	6.9
179.07033	54.1
181.06450	9.3
185.05992	18.7
187.07573	7.1
187.11212	5.6
189.03926	26.8
189.05476	13.8
189.09050	3.9
191.06984	23.2
195.06494	7.3
199.07523	12.9
201.05464	5.7
203.07037	84.6
205.08578	6.6
205.12218	10.8
215.07028	3.7
217.08536	14.6
221.08072	37.3
223.13348	9.8
227.07057	12.2
233.08107	10.0
245.08096	65.0
263.09183	35.1
281.10074	10.6
307.08218	4.6
333.61115	3.6
339.21164	4.4
349.09113	10.7
385.14709	4.1
385.21527	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	385.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14555	0.6
55.84716	0.6
57.03418	0.9
61.02924	1.5
69.03430	3.1
69.38503	4.9
70.06601	3.3
72.08167	2.8
74.14915	0.5
77.52713	0.6
79.05493	1.5
81.03429	2.7
81.07065	1.1
84.04531	1.0
84.08153	0.6
85.02910	8.7
86.09702	5.0
91.05467	1.6
93.07067	0.8
95.08581	0.6
97.02905	3.1
98.97607	0.7
99.04433	1.1
105.07030	1.6
109.02886	1.3
111.04451	0.6
111.05561	1.5
115.05466	0.8
116.07117	4.4
117.05763	0.8
118.06549	26.2
119.08595	1.1
121.06538	0.9
121.10145	0.7
123.08060	1.3
124.04000	0.7
127.03905	2.0
130.06534	20.4
131.07318	1.2
131.08598	0.5
132.08102	7.1
133.10143	0.6
137.05975	1.2
137.09583	0.6
142.06528	1.4
143.07307	1.1
144.08087	5.5
145.02888	0.6
145.04965	1.3
146.06023	16.8
149.09642	0.8
156.08063	0.8
157.06116	0.8
160.07594	32.1
167.07051	5.4
170.06026	10.5
172.07542	0.8
177.05496	1.6
177.12708	0.8
184.07538	0.9
188.07080	28.6
201.05472	1.2
205.12206	1.9
206.08138	100.0
209.08069	1.8
211.13289	0.6
217.04929	1.6
223.13336	1.3
248.09357	0.6
270.18201	0.7
304.09671	0.7
327.19522	0.5
332.11353	0.8
350.12900	0.8
385.19046	5.7
385.23462	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2374
Annotation	5-beta-14-Dihydroxy-bufa-3,20,22-trienolide
Peak:m/z	Relative Intensity
53.03894	1.6
54.68904	0.7
55.01834	1.3
55.05449	9.0
55.05737	1.0
57.03397	0.8
62.30904	0.8
67.05434	8.7
69.03378	1.3
69.07000	3.1
71.04934	1.0
71.05652	1.1
79.05421	11.2
81.03344	3.1
81.07063	10.0
83.04903	1.7
83.08632	3.7
91.05476	7.3
93.07046	6.2
95.04887	2.9
95.08595	6.2
97.06470	1.7
97.10153	3.5
105.07045	6.1
107.04871	3.0
107.08595	6.0
109.06470	1.4
109.10166	3.4
111.08053	1.8
114.69553	0.6
115.05405	1.3
117.07022	3.8
119.08583	4.6
121.06501	4.3
121.10058	1.9
123.04424	0.7
123.07986	2.1
125.09586	1.6
128.06142	1.4
129.07011	6.8
131.04955	4.8
131.08574	4.6
133.06514	3.6
133.10133	1.1
135.07990	2.0
135.11656	1.2
141.07005	4.5
143.08575	4.9
144.05637	1.7
145.06491	22.5
145.10048	1.7
147.08078	3.8
147.11610	1.0
149.09554	1.0
153.01770	1.5
153.06902	0.8
153.09021	0.8
154.70505	0.7
155.04803	1.6
155.05939	0.9
155.08546	4.0
157.06482	8.2
157.10037	3.2
159.04379	0.7
159.08086	7.1
161.05904	3.1
161.09505	0.8
163.11137	0.9
165.06956	1.2
167.08501	2.5
169.06537	4.3
169.10052	1.9
171.06700	0.7
171.08054	7.6
171.11615	1.8
173.05936	1.6
173.09554	1.3
175.03769	0.9
175.07523	0.6
175.11104	0.8
179.08577	0.8
181.06439	2.3
181.10040	2.6
183.08083	4.1
183.11652	1.0
184.08722	0.9
185.05998	0.9
185.09654	6.2
185.13159	1.3
187.11084	0.8
193.10262	1.2
193.12190	2.6
195.08105	3.7
195.11711	4.6
196.08655	1.1
197.09625	3.9
197.13303	3.5
199.11198	1.4
205.10173	1.1
207.07990	0.8
207.11717	0.9
208.08794	0.8
209.09544	2.3
209.13338	1.3
211.11086	4.0
211.13068	1.6
213.12648	2.2
215.14211	1.4
219.11678	1.4
221.09575	0.8
222.10303	0.6
223.11128	4.8
224.11815	1.1
225.12737	4.3
227.14291	6.0
235.11096	1.6
237.12805	7.4
239.14299	2.1
249.12550	1.0
251.14198	0.8
255.13826	20.1
273.14862	15.6
281.15347	2.8
283.17014	1.1
287.16260	1.6
299.16400	1.4
307.16724	0.9
321.18323	0.8
321.22067	1.5
325.17981	1.8
331.20547	2.4
339.23123	4.1
349.21649	23.6
350.22421	0.9
367.22687	100.0
368.23178	3.4
385.23746	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01869	2.2
55.05517	11.6
55.05769	1.6
57.03435	1.7
57.07079	1.2
65.03922	0.9
67.05502	9.7
69.03416	1.9
69.06731	1.0
69.07072	9.1
71.04980	1.2
71.08634	10.4
71.53270	1.1
74.47334	0.8
79.05503	10.1
81.03411	2.7
81.07059	10.4
83.04972	2.9
83.08617	3.6
85.06551	1.3
91.05458	5.8
93.07047	6.7
95.04968	6.1
95.08617	5.1
97.02870	1.5
97.06539	2.1
97.10168	5.7
97.32492	0.9
99.08089	6.4
105.07043	5.3
107.04955	3.5
107.08588	6.0
109.06512	3.4
109.10157	3.8
110.10886	0.7
110.30196	0.8
111.04446	2.1
111.08125	1.3
117.07029	1.6
119.08572	2.7
121.06509	8.0
121.10158	2.1
123.04321	0.9
123.08046	1.3
125.09624	3.8
129.07034	1.7
131.08563	2.9
133.10091	3.1
135.08084	1.6
135.11697	1.0
139.11122	1.2
143.08559	1.0
145.10170	2.0
147.11710	2.0
149.02374	1.1
149.09616	1.6
151.11182	3.6
164.12064	0.9
165.12714	1.5
167.10732	2.1
175.17892	1.0
176.74805	0.8
177.12752	2.0
181.12198	7.5
189.11278	1.8
193.04951	1.5
193.12242	3.4
201.02649	0.9
211.13255	1.6
215.14221	1.9
237.14664	1.0
247.20613	1.5
275.19983	4.6
285.16968	2.3
289.21814	1.1
293.21112	100.0
294.21481	2.3
305.21021	1.2
351.25296	4.9
367.24997	24.9
385.09299	0.9
385.23831	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	385.2586
Annotation	Betaenone D
Peak:m/z	Relative Intensity
53.03949	2.0
55.01863	2.3
55.05518	14.7
57.03436	4.4
67.05508	14.6
69.03457	1.8
69.07069	9.6
70.13966	4.9
71.08627	12.9
71.86563	1.5
79.05491	11.1
81.03426	8.6
81.07072	12.3
83.04974	4.4
83.08632	7.7
85.02905	4.6
91.05487	7.4
93.07052	11.2
95.04949	9.7
95.08596	6.9
97.10159	5.6
99.08090	9.2
105.07028	5.6
107.04952	3.5
107.08630	8.1
108.05690	2.1
109.06518	2.5
109.10155	4.2
111.08083	3.5
119.08638	3.6
121.06522	3.6
121.10146	4.1
125.09636	7.0
129.06989	1.7
131.08562	4.7
133.10136	3.3
135.08083	1.8
145.10100	2.8
147.11739	3.0
149.02388	1.6
149.09630	3.1
159.11772	1.9
163.11191	1.7
165.12762	2.6
167.10716	1.7
175.11143	2.8
177.12654	2.5
181.12265	1.7
188.01036	1.5
189.11235	3.8
193.05077	2.3
193.12228	9.0
211.13278	8.7
227.12715	2.0
275.20010	10.7
285.16949	2.7
293.21112	100.0
335.95605	1.6
349.24084	1.8
367.24869	35.0
382.17160	1.5
385.26111	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	386.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58065	9.4
55.05502	43.5
57.03431	31.4
67.05524	65.0
69.07066	21.1
71.52564	11.9
79.05506	72.1
81.07067	91.1
82.40982	9.8
83.04475	9.6
83.08630	20.6
85.06498	10.3
87.04460	10.0
90.75365	10.1
91.05493	65.8
93.07059	100.0
95.04951	13.7
95.08618	65.2
97.06532	14.0
105.07027	71.5
107.08608	59.5
109.06534	19.7
109.10159	23.1
117.06993	22.7
119.08577	47.4
121.10174	52.8
125.09670	9.3
131.08559	46.1
133.10120	52.3
134.06906	10.1
135.11693	42.1
145.10133	38.1
147.11690	53.9
149.13252	23.3
159.11700	24.8
161.13260	25.9
171.95901	9.8
173.13261	13.1
175.14766	13.1
187.14812	27.8
201.16437	18.5
239.50110	9.9
241.19504	32.5
259.20639	72.1
277.21677	33.4
351.25488	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	24.5
59.43630	19.4
65.51109	16.8
66.07479	18.0
67.05503	63.6
69.07052	22.6
69.89876	18.6
69.90176	100.0
70.06604	22.2
71.05491	21.3
79.05521	48.7
81.07051	59.3
83.08638	23.3
91.05481	45.7
93.07046	72.7
105.07023	55.1
107.08628	54.9
110.55954	21.1
119.08578	34.4
133.10149	27.8
135.11633	27.7
147.11659	50.5
161.13336	36.4
259.20590	53.7
333.24365	21.9
351.25287	44.9
386.23727	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	386.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.5
55.46700	14.5
56.82808	14.1
57.07060	16.7
67.05494	54.9
69.07042	20.8
70.13167	60.7
71.08631	18.2
73.37599	15.5
79.05480	60.7
81.07047	59.5
81.30854	15.2
85.42731	15.2
87.04401	16.9
89.18253	14.6
91.05457	64.1
93.07035	86.3
95.08614	38.4
105.07027	84.9
107.08569	54.3
109.10131	15.6
112.08299	15.6
117.07023	18.9
119.08570	67.4
121.10105	37.6
131.08609	20.6
133.10104	81.2
135.11664	51.4
147.11652	54.2
149.13217	22.2
161.13258	26.1
171.11662	20.5
173.13387	16.3
185.13292	23.4
241.19592	35.1
259.20560	100.0
294.21381	55.2
319.24292	17.3
351.25284	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39729	0.5
57.07077	6.1
58.06598	3.0
69.09078	0.6
71.08638	3.0
71.53251	0.7
71.53633	0.6
72.08156	14.0
72.83764	0.6
104.42464	0.5
114.19827	0.6
117.33786	0.5
117.40488	0.6
156.17488	5.7
170.19080	2.5
212.23759	4.7
226.25290	1.9
269.25348	0.6
274.27295	1.0
324.36252	25.0
356.67261	0.6
386.39932	100.0
387.40143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Glochidionionoside C
Peak:m/z	Relative Intensity
55.05494	6.0
62.57816	4.4
66.95708	4.0
67.05514	27.2
69.01550	4.0
70.95604	7.5
83.04995	4.2
85.02881	6.1
85.06554	10.6
93.07052	7.0
95.08607	100.0
99.04414	3.9
105.07008	4.4
107.08595	8.6
113.06026	12.8
114.22334	4.9
119.08591	16.4
121.06557	4.4
121.10147	6.5
123.08106	32.0
135.11685	16.0
147.88123	4.0
149.09622	33.1
161.13255	13.2
163.11179	7.8
165.12814	9.3
185.32616	4.2
189.12782	14.2
207.13835	77.1
213.88261	4.1
313.22629	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	387.2016
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
52.58584	2.2
53.03941	5.1
55.01858	6.7
55.05523	9.6
57.03420	8.5
59.04989	3.0
61.02916	3.3
65.03931	2.1
67.05508	14.7
68.11282	1.8
69.03439	25.0
69.07055	7.3
69.66358	3.6
69.66716	10.6
69.83824	2.1
70.06582	2.4
71.04984	9.8
73.02918	3.7
79.05503	18.4
80.58615	1.9
81.03426	53.3
81.07071	18.1
83.04997	12.2
83.08614	11.9
84.08128	2.1
85.02438	3.1
85.02914	45.1
86.09708	5.0
87.00826	7.4
91.05486	18.7
93.07052	16.8
95.04977	14.7
95.08624	11.8
97.02321	2.4
97.02901	31.4
97.06512	7.5
98.20813	2.3
99.04459	9.4
99.08051	4.0
105.01901	13.4
105.07036	24.9
107.04942	8.1
107.08591	11.8
109.02891	15.5
109.06515	8.5
109.10164	3.7
111.04449	7.6
111.08089	7.8
114.05544	2.1
117.07081	3.7
119.08572	20.5
121.02859	2.0
121.06497	5.9
121.10139	12.8
121.99044	2.1
123.04375	2.2
123.08080	100.0
125.09650	3.2
127.03921	30.1
129.06978	6.7
131.08556	10.5
133.10136	7.6
135.04431	2.1
135.08034	4.5
135.11659	3.9
137.09610	5.3
138.69856	2.0
143.08551	2.6
145.04979	12.1
145.10141	4.4
147.08066	2.5
147.11693	19.4
149.09608	12.5
151.07541	3.5
151.11194	4.6
157.10100	8.1
159.02924	3.0
161.09590	4.1
163.11186	6.8
165.09123	4.5
165.12755	14.7
167.07033	5.7
167.10693	5.3
175.11195	8.5
178.08572	2.2
181.12207	7.3
187.11075	2.6
189.12871	2.8
192.07510	2.0
193.12247	35.2
207.13795	20.8
211.13306	24.9
225.14821	16.7
231.04901	3.8
247.13335	5.2
249.06142	2.1
259.09671	2.1
273.14908	2.1
287.13141	2.0
301.14420	5.7
327.09491	2.3
333.49210	1.9
355.09091	2.3
373.14096	2.4
387.20807	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	388.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17183	0.7
53.03946	3.8
55.01877	7.5
57.03439	6.3
61.02930	7.5
67.05503	1.0
68.99789	2.4
69.03433	34.1
69.99840	0.9
70.06588	0.9
70.80579	2.1
71.04996	4.1
73.02924	7.3
79.05501	2.4
81.03422	26.8
81.07093	1.3
83.01353	1.0
85.02911	100.0
86.03264	0.9
86.09706	1.4
87.00835	42.1
87.04462	1.1
91.03915	1.6
91.05489	1.6
93.07052	2.3
95.04990	1.4
97.02901	30.9
99.04454	13.6
103.03945	1.2
105.01873	66.6
105.07034	23.4
107.08622	1.7
108.04522	3.4
109.02888	27.9
115.03959	1.5
116.65237	0.8
117.01875	2.8
121.06489	0.9
121.10168	1.0
123.08126	1.5
126.05531	2.0
127.03923	66.5
129.01851	3.8
143.08624	0.8
145.04967	39.5
147.02937	2.6
147.07967	0.8
159.02896	13.4
163.11240	2.1
169.08635	2.1
171.02954	0.9
177.03934	1.4
189.03986	3.2
213.04002	3.2
213.09209	1.8
227.12804	2.0
231.05008	26.9
231.07248	1.4
231.10133	1.2
248.07704	2.3
249.06094	9.6
251.72615	0.9
388.16190	2.5
395.02576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01867	7.2
55.05502	1.1
57.03440	5.4
59.04997	1.2
59.90955	0.9
61.02924	6.4
62.70170	0.9
68.99786	1.3
69.03430	32.4
70.80460	2.3
71.04995	5.4
73.02914	5.5
74.58939	1.0
79.05486	2.1
81.03417	25.0
81.07053	1.5
83.01369	1.2
85.02908	100.0
87.00832	43.6
87.04469	1.1
89.41373	0.9
91.03949	1.1
93.07072	1.0
94.70263	1.0
97.02891	31.3
97.06491	1.4
99.04449	16.4
103.03978	1.0
105.01868	79.6
105.07037	24.6
107.08575	1.3
108.04478	4.1
109.02883	34.8
115.03941	2.0
117.01872	3.4
119.08623	1.0
127.03918	78.5
129.01857	3.3
133.06461	1.0
145.04959	40.8
147.02908	2.6
159.01691	1.8
159.02902	18.1
169.08569	1.8
177.03934	1.8
189.03926	4.6
189.09076	1.1
213.03972	3.4
213.09065	3.6
230.06529	1.2
231.05013	34.9
231.10194	1.7
236.17499	1.1
248.07649	3.8
249.06039	11.9
252.27864	1.0
266.08826	1.1
306.78510	1.2
335.10986	2.1
353.12009	1.2
388.16016	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	389.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	7.5
55.05497	6.8
56.96548	1.6
59.04994	1.3
67.05517	3.4
69.03419	4.0
69.07066	3.8
70.06593	1.3
70.54596	3.8
71.05000	1.3
77.17735	1.4
79.05482	3.9
81.03427	3.9
81.07053	7.3
83.04991	1.7
83.08619	2.4
85.02907	3.3
85.06544	2.6
91.05488	2.7
93.07053	4.8
95.04976	3.3
95.08619	3.6
97.02898	3.1
97.06561	3.2
97.10163	7.9
99.04438	1.8
100.37406	1.4
105.07037	4.2
105.12817	1.3
107.08593	5.1
109.02866	2.1
109.10150	2.6
111.08064	7.7
112.87559	1.3
119.08570	1.9
121.06486	2.5
121.10185	3.3
123.08076	3.4
123.11713	5.3
125.09602	1.8
127.03906	3.4
133.10091	2.3
134.09700	1.4
135.08107	1.7
139.11234	2.4
145.10147	2.9
146.05991	2.5
147.11746	1.6
163.11201	3.1
167.07123	1.7
167.10666	2.7
167.14264	1.5
169.08618	3.2
169.12257	2.9
177.01976	1.4
185.10684	2.6
191.10664	1.6
198.07915	2.2
199.08722	15.3
199.12302	2.1
209.15384	1.6
212.09395	4.1
213.06665	6.2
213.10217	19.0
214.07304	2.1
226.07323	2.2
227.08237	16.9
227.11554	9.6
228.08919	4.0
229.09702	4.7
237.10301	4.1
239.08144	2.7
240.09016	4.8
241.06145	8.4
241.09766	36.3
242.10266	1.9
243.11302	2.1
245.12973	8.4
255.07581	3.3
255.11295	37.4
256.08408	2.4
257.09378	7.4
259.10776	3.6
265.09711	4.2
269.09219	15.5
270.09973	2.1
273.12299	5.9
283.07483	2.5
283.10770	51.3
293.08890	1.7
295.10718	6.4
297.08246	1.4
299.09747	1.4
301.08249	1.7
301.11777	3.7
311.10242	24.8
313.11960	10.0
321.12122	2.0
329.11340	100.0
335.22183	1.9
339.09689	6.3
357.10812	72.6
371.12164	1.8
389.08737	2.5
389.13382	28.4
389.21194	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	389.1419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.5
55.05505	1.2
57.03447	0.8
59.15466	0.4
60.04513	0.5
67.05492	1.0
69.03440	2.3
69.07068	0.9
70.06594	3.1
71.04975	0.9
71.14477	0.9
72.08152	4.2
73.02926	0.7
74.06076	0.5
79.05483	1.1
81.03411	1.9
81.07060	1.8
83.04952	0.7
84.04494	0.8
84.08144	2.1
85.02921	3.6
85.62061	0.4
86.09721	5.9
87.00842	0.5
87.05624	0.9
90.20462	0.6
91.05486	0.9
93.07037	1.9
94.06547	0.5
95.04986	2.7
95.08614	1.3
96.08158	2.8
97.02869	1.1
97.06526	1.3
98.97596	0.5
99.04404	1.2
105.01833	0.7
105.07038	1.2
106.06552	0.8
107.08582	1.6
109.02900	1.7
109.06510	1.5
109.10164	0.7
110.07120	0.5
115.07562	1.1
119.08604	1.0
121.10136	2.6
123.05573	0.9
123.08060	0.8
124.07598	12.8
127.03920	2.4
128.10777	0.6
129.10211	0.7
130.04994	0.7
133.10126	2.4
135.11748	0.7
141.05540	0.7
141.06573	1.3
145.04991	0.7
145.10181	0.5
147.11691	1.2
149.09705	0.5
153.08997	0.6
155.07033	0.5
161.02995	0.7
163.11182	1.0
163.14842	0.6
173.13110	1.5
181.04984	0.8
191.10690	0.6
191.14287	1.4
201.12445	0.8
204.59468	0.5
209.11644	0.8
209.15379	2.4
216.09837	1.0
227.08890	1.6
227.16461	2.3
245.09988	1.9
253.12759	0.5
294.98486	0.5
305.10983	0.7
308.96243	0.5
309.03900	0.5
324.03171	0.5
327.14053	5.0
329.08508	0.8
329.12149	2.1
352.84537	0.5
371.13162	0.8
371.20303	0.7
389.14169	100.0
390.14572	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	389.1807
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03947	4.4
54.12971	2.0
55.01871	16.0
55.05516	5.4
57.03428	5.1
57.07059	2.9
67.05504	11.3
69.03426	28.2
69.07068	21.5
70.52709	6.3
71.04996	10.6
73.08297	2.3
76.67865	1.9
79.05499	15.5
81.03422	27.6
81.07064	23.0
83.04987	7.8
85.02893	11.1
85.06549	6.8
86.09727	3.1
91.05481	13.1
93.07047	51.0
95.04973	7.2
95.08610	15.2
97.02898	9.1
97.06532	13.7
99.04455	15.4
105.07040	32.5
107.08603	67.1
109.02902	14.4
109.06530	17.8
111.08109	10.9
113.06025	6.9
115.35732	2.1
117.06952	5.0
119.08589	10.0
120.59180	2.2
121.06506	16.4
121.10146	37.6
121.24195	2.3
123.08064	10.7
125.06001	2.4
127.03918	16.8
130.07837	2.7
131.08597	5.7
135.08052	7.2
135.11679	19.5
139.11168	3.9
145.04938	2.8
145.10118	33.6
147.11691	7.6
149.09619	21.6
151.07555	8.6
159.93190	2.2
163.11186	79.5
167.10689	36.3
169.08607	100.0
173.09654	6.4
181.12238	30.6
185.11772	9.5
191.10669	52.5
209.11739	33.3
224.11305	2.1
227.12805	80.3
303.04935	2.9
353.15845	6.0
369.50330	2.3
371.17023	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	389.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86401	1.7
53.03934	6.5
55.01867	17.2
55.05504	10.5
57.03434	3.9
57.05936	1.7
61.67242	1.8
65.03933	2.0
65.84328	1.6
67.05186	1.6
67.05500	10.1
69.03432	20.2
69.07062	18.8
69.35997	10.1
70.06581	1.7
70.45721	1.6
71.04999	10.1
72.76041	1.6
79.05495	18.2
81.03421	37.0
81.07061	30.8
83.04968	9.4
83.08605	2.0
84.28661	1.6
85.02895	9.4
85.06557	10.4
86.09727	1.8
91.05474	11.4
93.07047	44.2
95.04949	8.1
95.08607	18.5
97.02903	10.4
97.06533	18.7
99.04453	17.2
105.07034	28.9
107.04976	3.6
107.08598	62.4
109.02889	21.2
109.06493	16.8
109.10157	4.7
111.08082	7.0
113.02331	2.0
113.06030	4.6
117.07027	4.6
117.12364	1.6
119.08547	10.3
121.06500	15.5
121.10138	41.2
123.08044	10.4
125.05968	2.3
125.09650	4.4
127.03917	22.8
127.07568	4.7
129.43053	1.5
130.07759	2.9
131.08548	4.4
133.10133	2.9
135.08049	8.1
135.11700	14.2
137.02330	4.3
137.09613	3.8
138.14450	1.6
139.11148	3.8
142.50975	1.9
145.10120	28.5
147.11688	6.5
149.09616	20.5
151.07568	7.8
151.11157	2.0
161.09557	2.3
163.07478	1.9
163.11183	75.8
167.10672	34.0
169.08607	100.0
173.09630	6.1
181.12230	25.2
185.11682	8.0
188.03401	3.7
189.09077	1.5
191.08165	7.2
191.10678	43.7
209.11713	27.2
227.12785	82.4
227.16330	4.1
296.03882	1.7
298.36862	1.8
307.12878	5.5
309.17175	2.2
311.14789	1.8
313.13168	1.9
339.09912	1.9
353.16019	12.9
357.10709	1.9
371.16940	14.5
389.13696	4.5
389.17734	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	389.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.8
55.01859	1.8
55.05520	6.2
57.03433	2.7
61.02934	1.2
67.05491	2.4
69.03433	18.2
69.07070	1.9
69.64462	4.8
71.04993	7.1
79.05491	2.7
81.03423	27.4
81.07050	3.7
83.04976	1.3
83.08624	3.4
85.02908	52.6
86.09708	1.4
91.05480	1.1
93.07047	4.4
95.04962	0.9
95.08607	1.9
97.02908	8.6
97.06540	1.7
97.10169	2.8
99.04459	30.7
99.05108	1.5
103.03949	51.2
105.07041	2.4
107.08610	4.1
109.02887	24.2
109.06509	1.2
109.10159	1.3
111.08088	4.0
119.08602	2.0
121.06493	1.0
121.10148	2.5
125.09662	0.7
127.03924	100.0
128.04294	0.8
135.11650	0.8
136.97173	0.7
139.11165	0.7
145.04965	14.6
145.10120	2.5
147.11630	0.9
149.09613	1.3
163.06107	1.0
163.11182	4.5
165.12695	1.1
167.10713	1.5
169.04961	0.7
169.08635	2.7
169.12282	0.9
181.12245	1.3
187.06026	12.2
191.10638	3.5
205.07118	0.8
209.11783	1.0
227.12772	2.8
253.07104	4.9
271.08145	5.1
293.09219	1.1
321.08151	0.8
335.22247	1.1
389.13876	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	389.1807
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
50.25502	3.7
53.03940	8.1
55.01874	17.8
55.05506	9.0
57.03426	5.5
67.05505	12.3
67.94456	3.0
69.03432	17.5
69.07060	23.0
69.86175	16.5
71.04974	10.8
79.05495	23.1
81.03430	34.9
81.07047	25.9
83.04962	6.7
85.02912	12.5
85.06538	11.0
91.05473	13.7
93.06495	4.0
93.07050	52.5
95.04963	13.1
95.08617	21.1
97.02888	8.6
97.06539	25.9
98.21454	7.0
99.04465	18.6
105.07030	30.8
107.04955	4.3
107.08590	58.9
107.09229	6.1
109.02876	25.9
109.06520	20.5
109.10165	5.7
111.04392	3.7
111.08085	7.6
117.07004	7.1
119.08566	12.6
121.06509	20.5
121.10161	34.1
123.08070	11.8
127.03889	18.6
129.07031	4.3
131.08551	5.1
131.67848	4.2
133.10094	6.5
135.07985	6.4
135.11676	10.4
139.11224	5.5
145.10123	29.8
147.11691	9.0
149.09624	20.2
151.07550	14.3
157.08537	3.4
159.11700	5.6
163.11194	62.2
167.10695	25.6
169.08618	100.0
175.55855	3.8
181.12207	25.2
185.11707	5.4
191.10718	36.9
205.12169	4.7
209.11731	25.1
227.12784	85.6
228.00642	3.5
293.09335	6.8
325.14355	4.0
339.09567	4.1
346.16519	4.4
353.16013	6.1
367.01584	3.4
371.17435	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	389.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96527	1.9
53.03941	6.2
55.01871	16.0
55.05510	6.3
57.03427	4.5
58.44979	2.3
61.02912	2.7
61.71292	2.0
63.06655	2.2
63.72870	1.9
66.12849	2.2
67.05493	9.6
69.03434	25.4
69.07070	18.3
70.73581	2.2
70.76062	3.2
70.76415	4.8
71.04987	9.1
79.05500	21.8
81.03427	39.7
81.07064	28.2
83.04957	6.3
85.02916	16.7
85.06537	10.2
91.05486	13.3
93.07059	51.8
95.04966	9.5
95.08590	12.4
96.47222	2.1
97.02898	6.9
97.06531	18.3
99.04461	16.0
105.07030	37.4
107.04933	3.6
107.08601	60.3
109.02882	31.1
109.06538	20.8
109.10178	2.6
111.08075	8.1
113.06014	4.7
117.07043	5.3
119.08582	12.1
121.06522	16.3
121.10153	42.0
123.08088	11.8
125.05965	2.0
127.03923	22.7
127.07536	3.9
130.07784	3.7
131.08598	5.9
133.06380	2.6
135.08057	6.9
135.11720	17.1
137.09671	3.2
139.11147	4.0
145.10138	28.9
147.11688	7.1
149.06030	2.9
149.09659	20.0
151.07532	7.0
153.12730	2.5
163.11195	79.2
166.05304	2.5
167.09352	3.1
167.10681	38.7
169.08611	100.0
173.09689	7.0
181.12241	31.0
185.11720	10.9
187.06099	4.9
191.10672	43.3
203.45877	2.4
205.07050	2.9
209.11761	29.8
227.12801	68.3
227.16267	4.2
353.15939	14.6
371.17099	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	389.1807
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
53.03941	4.1
55.01869	12.1
55.05499	6.0
57.03426	3.9
67.05501	7.7
69.03423	17.0
69.07071	17.3
69.68065	4.6
69.68497	5.3
71.04981	8.2
73.02898	1.6
79.05502	15.9
81.03421	37.1
81.07064	23.9
83.04965	4.2
83.08585	2.2
85.02901	9.8
85.06520	5.6
91.05479	9.7
93.06480	3.1
93.07044	42.2
95.04954	6.2
95.08612	16.4
97.02893	3.1
97.06524	19.5
97.17777	1.8
98.21502	2.4
99.04465	11.7
101.06040	1.5
105.07027	24.5
107.04958	3.0
107.08598	57.6
109.02883	21.5
109.06522	13.8
109.10176	2.8
111.08102	10.3
113.05968	4.8
114.39098	1.5
117.06994	4.7
119.08561	9.0
121.06520	13.7
121.10149	33.8
123.08067	9.2
125.06016	2.1
127.03936	12.4
127.07541	3.8
131.08597	3.9
135.08034	4.7
135.11670	11.5
139.07568	2.1
139.11169	2.6
144.04449	3.9
145.10117	22.8
147.11699	4.6
149.05977	2.7
149.09624	17.3
150.24004	1.6
151.07562	8.3
153.12741	1.6
163.11183	55.3
167.10670	29.5
169.08601	100.0
172.03954	15.4
173.09605	4.7
181.12231	21.7
185.11722	6.7
187.05618	1.5
191.10672	39.3
204.06567	27.1
209.11734	22.8
227.12782	64.1
231.05977	1.8
257.41190	1.6
311.14755	3.0
335.14777	1.7
353.15854	10.4
357.14404	5.9
371.17041	15.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01880	18.8
55.05509	13.1
57.03440	4.7
67.05497	12.8
69.03448	20.6
69.07075	17.4
71.05000	10.1
71.27235	4.6
71.68227	3.3
75.00911	3.0
79.05499	17.0
81.03419	40.6
81.07056	32.8
83.04991	5.4
85.02900	10.2
85.06530	8.9
91.05479	9.0
93.07052	48.7
94.00930	3.2
95.04971	6.6
95.08602	20.0
97.02915	4.2
97.06543	19.3
97.10175	4.4
99.04462	15.9
104.99312	3.5
105.07018	26.4
107.08599	65.3
109.02886	14.9
109.06513	18.2
109.10184	4.9
111.08085	8.6
113.05940	4.8
119.08589	9.2
121.06515	16.1
121.10149	27.2
123.08074	14.1
123.11713	5.1
127.03915	15.8
129.01033	3.3
135.08087	8.2
135.11696	13.0
137.09583	6.1
139.11185	5.3
145.10121	21.6
147.11681	7.4
149.09634	20.3
151.07545	7.3
159.11754	3.1
163.11188	55.5
167.10690	28.8
169.08618	100.0
173.09660	6.5
181.12234	20.5
185.11726	8.5
191.10674	38.0
209.11769	27.5
227.12773	67.4
300.16199	4.2
346.16110	3.9
353.16031	7.3
371.16867	14.9
407.47482	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	389.2172
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03941	6.1
55.01870	21.4
55.05504	14.7
57.03428	9.3
57.07075	5.8
59.04970	4.5
67.05511	23.0
69.03416	14.7
69.07053	17.0
70.06597	8.2
70.43839	14.9
71.04976	13.3
71.81117	4.4
72.08154	5.4
79.05487	18.2
81.03407	10.5
81.07055	30.3
83.01321	5.6
83.04994	8.7
83.08593	7.9
84.04502	6.5
84.08133	7.6
85.02905	22.9
85.06532	13.4
86.09691	16.9
89.61117	4.5
91.05466	20.8
93.07053	41.4
95.04962	11.9
95.08614	23.9
97.02907	8.0
97.06573	24.4
97.10146	4.5
99.04445	13.0
99.08079	14.2
101.06024	5.3
105.07004	25.8
107.04940	10.0
107.08601	60.0
108.23817	4.3
109.02854	13.9
109.06517	16.2
109.10159	16.5
111.04395	6.8
111.08058	8.4
113.05997	5.1
119.08591	12.4
121.06537	21.7
121.10141	52.4
123.08053	15.3
125.09630	11.2
127.03909	9.5
127.07561	4.5
131.08580	10.9
133.10115	15.6
135.08054	13.6
135.11687	13.2
137.09613	5.1
139.11102	6.8
141.06621	7.6
145.10114	16.3
147.11612	10.9
149.09631	51.7
149.13260	9.3
151.07532	7.2
151.11200	13.0
153.09045	7.3
157.42986	4.5
163.03868	5.3
163.11203	40.6
163.14787	11.0
164.11838	4.9
167.10660	18.8
169.08641	56.1
173.13231	14.3
181.12222	17.8
186.22128	4.9
191.10672	19.4
191.14342	49.2
209.11755	12.4
209.15390	100.0
227.08278	5.1
227.12794	49.7
227.16354	8.7
262.55035	5.0
307.33746	4.5
328.21118	7.6
353.20541	5.2
356.92889	4.5
371.21756	9.0
372.23697	7.6
389.13263	30.1
389.17911	7.6
389.26923	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	389.2172
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03932	3.4
55.01867	3.1
55.05507	9.1
57.03437	6.0
57.07075	3.7
61.02934	2.4
67.05497	5.5
69.03436	13.1
69.07071	8.3
69.67795	11.8
70.06583	2.1
71.04998	6.1
72.08149	2.3
79.05499	7.2
81.03429	5.9
81.07065	18.0
83.04979	8.7
83.08618	8.2
84.04536	2.5
84.08146	3.5
85.02910	24.2
85.06555	2.9
86.06072	3.3
86.09699	17.2
87.04498	2.8
89.06033	7.2
91.05483	8.2
93.07049	17.3
95.04955	16.6
95.08594	11.3
97.02885	5.8
97.06539	24.3
97.10150	4.1
99.04469	6.9
99.08109	8.0
105.07021	16.3
107.08601	20.9
109.02891	4.2
109.06520	45.1
109.10152	15.0
111.08089	4.8
113.06050	2.9
113.09671	2.0
115.07595	6.1
119.08581	9.9
121.06535	2.6
121.10130	19.5
123.08079	4.7
123.11741	3.7
124.07641	2.5
125.09647	25.0
127.03940	9.1
127.07545	2.8
128.98653	2.2
129.10225	2.3
131.08577	6.4
133.10126	39.5
134.13802	2.0
135.08051	7.8
135.11732	2.9
137.09641	3.6
143.08588	2.9
145.04977	2.7
145.10156	4.0
146.06023	2.8
147.11699	28.0
149.09644	26.4
149.13284	5.7
151.01555	2.4
151.11197	11.7
153.09114	21.3
163.14812	8.7
165.12706	3.9
173.13266	25.5
189.12363	3.1
191.14334	33.9
195.02899	2.3
209.15376	100.0
210.15245	2.4
227.16426	50.7
371.21832	2.5
372.23077	2.2
389.13403	3.0
389.18185	2.3
389.23801	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	389.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82773	5.2
55.05512	35.9
67.05515	33.9
69.07063	42.6
69.17948	40.0
70.17010	5.3
70.91792	5.6
71.04996	11.4
75.95470	5.3
79.05506	25.9
81.07066	100.0
83.04948	11.2
83.08609	13.8
84.78452	6.0
91.05482	19.0
93.07056	59.0
95.04960	22.2
95.08625	63.5
97.06538	39.7
97.10172	25.4
105.07062	30.8
107.08633	44.4
109.06517	10.8
109.10146	46.2
109.15260	6.0
111.08086	12.9
119.08573	20.7
120.66485	5.2
121.10150	47.5
123.11718	56.5
129.34557	4.6
133.10100	17.5
135.11731	26.2
137.13312	5.9
139.11157	13.9
145.10124	11.2
147.11702	26.8
149.13310	8.8
153.12709	12.5
159.11687	14.6
163.11234	7.1
165.12773	8.9
171.13945	5.6
173.13319	8.8
181.12152	5.2
187.13307	12.1
201.14703	6.3
275.23734	7.9
291.23227	12.0
293.24567	10.8
303.23108	41.8
309.34363	5.3
321.24326	7.1
325.14343	8.3
343.15399	14.8
371.14764	10.4
377.21283	5.9
389.16302	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	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09598	0.5
53.03939	2.2
55.05507	3.6
56.96539	0.5
57.03437	1.3
60.02485	0.6
62.75348	0.5
66.84244	0.5
67.05507	0.7
69.03425	1.4
69.07050	0.7
70.06589	2.2
70.63599	1.5
71.04999	1.5
72.08152	1.1
73.02915	1.7
77.03928	0.8
79.05493	2.0
81.03420	1.4
81.07043	0.6
83.04962	1.0
85.02901	5.2
86.06062	1.2
86.09706	2.7
91.05491	5.1
93.07052	1.2
95.01334	2.5
95.04966	2.1
95.08607	0.9
97.02907	0.8
98.97556	0.6
99.00831	0.6
99.04451	1.0
105.03395	100.0
105.07026	6.9
106.03711	0.7
107.08563	1.0
109.02853	0.6
113.02349	1.6
113.06013	2.6
116.07139	0.8
117.06979	0.7
119.04957	0.7
119.08589	3.8
120.08102	0.9
121.06516	0.9
123.04437	3.5
123.08051	0.8
124.02108	1.4
125.09695	0.8
127.03931	1.1
129.77649	0.6
131.03409	1.1
131.08594	0.9
133.10107	0.8
135.08105	0.7
141.01839	6.1
142.03270	1.0
145.10152	1.7
147.11674	6.2
149.09682	1.1
150.13612	0.7
153.71635	0.6
157.10094	1.4
159.02872	1.2
165.12799	0.7
167.45032	0.6
175.11169	3.6
179.07037	31.7
193.12219	3.1
197.08104	34.3
197.11716	1.5
198.08426	0.7
209.15489	1.0
210.15753	1.4
228.06390	0.9
237.00732	0.6
250.83064	0.7
299.10461	1.0
331.12881	1.1
346.16507	1.9
390.11536	2.8
390.19351	1.3
390.23996	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	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.05502	0.8
57.55199	0.2
59.01348	0.2
63.09437	0.2
68.05038	0.4
69.03426	0.5
70.75846	0.5
70.76178	0.3
79.05503	4.4
80.05006	1.3
81.03426	0.7
81.05807	4.5
81.07069	2.5
82.06563	0.5
82.99841	0.3
85.02914	0.9
86.09713	0.4
87.00827	0.4
94.06570	0.8
95.04995	0.3
96.08144	17.5
97.02970	0.3
106.06580	2.8
107.04972	0.7
109.02907	0.6
124.07606	100.0
125.06001	0.9
125.07931	0.9
127.03946	0.3
142.08659	0.3
161.06039	0.3
380.11942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.05497	1.9
56.05048	1.3
57.03426	1.2
60.04503	1.1
67.05503	1.7
68.24733	0.8
69.03419	4.2
69.74340	0.9
70.06590	3.0
71.04998	1.1
71.52203	1.0
72.08125	1.2
74.06072	1.0
79.05488	7.5
81.03416	6.6
81.05788	1.1
81.07035	2.0
83.04987	1.0
83.08609	1.7
84.04515	2.7
84.08149	1.8
85.02911	8.7
86.09695	4.2
87.00799	1.6
87.04507	1.1
89.06009	1.1
91.05497	2.0
93.07037	1.6
95.04967	2.7
95.08609	1.5
96.08120	5.8
97.02896	2.8
97.06492	1.1
97.10112	1.0
99.04456	2.3
102.05558	1.3
105.01888	4.4
105.07030	2.1
106.05036	2.7
106.06534	1.1
107.04958	100.0
107.08605	1.1
108.04505	1.2
108.05276	1.4
109.02863	3.0
109.06509	1.4
109.10130	1.1
111.07239	1.0
116.07088	2.0
119.08592	2.6
120.08089	1.6
121.10103	1.2
124.07596	36.1
124.08504	2.1
125.09631	1.2
127.03902	7.1
130.05026	1.1
131.08574	1.0
133.10155	1.6
134.10452	1.2
145.04958	2.7
147.04402	1.2
147.05791	1.3
147.11624	1.0
149.06042	1.7
149.09561	1.6
159.02859	1.4
171.09164	1.2
174.13527	1.0
175.11209	1.4
178.52826	0.9
189.03900	1.1
191.07227	1.1
192.14616	1.0
193.12282	5.8
199.08664	1.7
200.28052	0.9
208.13300	1.9
210.15674	2.0
211.13255	1.2
215.06979	1.9
231.04950	1.9
249.06238	1.5
284.09763	2.1
285.16953	1.4
346.16306	1.6
359.42764	0.9
390.23950	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	390.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38242	0.2
57.07083	5.4
58.06598	1.6
67.05481	0.4
68.05029	0.4
69.07055	0.4
69.63308	0.6
69.63715	1.2
70.06599	16.9
71.08627	2.4
72.08160	1.8
76.42524	0.2
84.08160	1.6
85.10168	0.6
86.09708	3.0
87.04481	0.3
88.07636	8.4
89.06004	0.6
93.07059	0.3
98.21492	0.5
102.09185	4.6
114.09138	0.6
119.08588	0.3
132.10211	6.8
146.10696	0.5
146.11769	6.7
149.02376	0.3
196.65530	0.3
240.26907	1.9
241.76904	0.3
266.28522	0.9
268.30188	0.4
284.29489	17.4
285.29440	0.3
328.32123	32.8
329.32327	0.6
372.34659	1.2
390.35794	100.0
391.36270	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	391.2329
Annotation	Turpinionoside D
Peak:m/z	Relative Intensity
50.76440	1.7
53.03949	1.7
55.05508	10.3
55.48814	1.6
57.03423	2.5
57.07072	5.7
67.05507	12.6
69.03432	3.5
69.07062	6.8
69.18865	10.0
69.19289	6.1
70.06582	3.6
71.04998	7.5
71.08627	2.3
78.12699	1.5
79.05504	7.5
81.03415	2.2
81.07056	30.6
83.04982	5.0
83.08625	3.6
84.04514	2.0
84.08146	1.8
85.02900	7.7
85.06548	25.5
86.09704	2.5
91.05492	7.1
93.07048	26.1
95.04974	4.8
95.08615	48.1
97.02904	3.1
97.06535	3.9
99.04446	9.1
99.08098	7.7
101.06007	2.3
105.07038	19.4
107.08598	48.3
108.08946	1.9
109.02903	2.1
109.06528	2.7
109.10168	20.2
111.08101	4.8
113.06007	2.0
119.08588	44.1
119.45721	1.5
121.10181	12.2
123.07990	1.6
123.11721	7.0
125.09634	9.5
127.03832	2.0
133.10147	27.3
135.11693	28.3
137.09622	11.2
147.11700	6.4
149.02362	25.1
149.13283	4.7
151.11182	1.8
155.10674	97.9
163.14825	55.3
167.03450	2.1
175.14838	48.0
176.96954	2.6
181.15936	7.9
187.10992	1.7
188.07156	2.4
193.12202	1.7
193.15891	48.9
199.16927	15.1
205.09753	1.8
211.16937	61.5
218.10883	1.5
229.14380	3.6
229.18005	100.0
299.10385	1.9
332.50653	1.8
343.89914	1.4
405.98431	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88614	0.3
55.05505	0.3
55.75611	0.3
56.04588	0.2
56.96564	0.3
57.07077	0.7
58.52269	0.3
67.02148	0.3
69.07064	0.3
69.85190	1.3
70.06591	0.4
71.08636	0.6
81.07082	0.4
91.05513	0.3
95.08567	0.4
97.06499	0.3
102.47378	0.3
105.07054	0.4
107.08621	0.3
109.10185	0.3
110.06833	0.3
121.02856	0.3
132.10138	0.4
149.02362	5.8
167.03387	0.4
218.62935	0.3
321.16660	0.7
349.18665	0.6
350.16995	0.5
351.18100	0.4
368.18381	0.7
387.40515	0.3
391.24551	100.0
392.24979	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69965	0.4
70.70302	0.9
79.05515	0.4
87.19080	0.4
93.98514	0.4
98.07552	0.4
119.08586	0.5
149.02365	1.7
207.81834	0.4
223.92455	0.4
304.19971	0.5
321.16742	0.9
342.87573	0.5
391.24554	100.0
392.24973	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75471	0.5
52.38676	0.5
57.07076	1.5
59.87712	0.6
65.03966	0.6
67.05502	1.2
70.06591	1.2
71.08627	2.2
71.53307	0.7
72.08179	0.9
79.05473	1.2
86.09697	1.0
88.07647	0.8
91.05482	0.7
93.07048	1.3
94.60156	0.6
95.04951	0.6
95.08617	1.0
105.07036	1.6
107.08610	0.9
109.10219	0.6
119.08602	1.4
121.10164	1.1
132.10237	0.8
133.10138	1.0
143.08578	1.1
145.10147	0.7
149.02350	12.2
167.03423	1.6
267.17413	0.6
270.07892	0.6
285.29840	1.0
329.32297	2.3
391.24573	100.0
392.24985	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.0
55.05505	9.8
57.07056	5.4
63.70923	1.9
67.05514	14.7
69.03423	2.8
69.07059	8.8
69.34299	8.5
69.34720	6.4
71.08616	1.9
72.87292	1.8
79.05480	18.0
81.07063	32.2
83.08606	4.9
85.06512	2.8
91.05486	26.4
93.06484	2.7
93.07048	34.9
95.04970	37.4
95.08604	14.5
97.06519	5.5
103.05460	2.8
105.04539	1.8
105.07033	55.6
107.08598	26.1
108.96192	1.9
109.06519	7.7
109.10145	7.4
115.05431	3.8
117.07006	14.4
119.04967	1.8
119.08588	46.3
121.06520	10.8
121.10149	22.7
123.08050	5.0
123.11666	2.1
128.06201	7.8
129.07004	12.2
130.07773	8.6
131.08553	21.2
133.10118	14.6
135.08017	4.4
135.11681	4.2
137.09560	2.0
139.11162	2.1
141.06993	6.0
142.07776	12.7
143.08568	28.1
144.09337	5.8
145.10132	35.0
147.08078	4.2
147.11674	12.4
149.02367	13.8
149.09596	3.8
151.11188	2.2
153.06914	2.3
154.07829	3.1
155.08560	11.8
156.09352	11.6
157.10124	28.7
158.10884	4.3
159.08051	4.5
159.11696	13.5
161.09596	6.3
161.13277	2.0
165.07025	5.2
166.07799	3.7
167.08557	7.1
168.09320	7.1
169.10126	19.7
170.10881	6.2
171.08051	2.1
171.11681	14.7
173.09578	4.1
173.13266	15.8
175.11192	4.1
178.07704	2.5
179.08583	10.1
180.09337	6.3
181.10147	10.9
182.10930	3.3
183.11723	17.1
184.12527	4.3
185.09680	4.3
185.13210	5.7
187.11169	4.6
187.14798	2.7
191.14349	4.6
192.09308	6.3
193.10152	15.4
194.10928	8.5
195.11690	18.3
196.12476	5.7
197.09665	3.7
197.13310	14.0
199.11159	5.5
199.14777	5.2
203.08588	2.0
205.10062	5.8
206.10919	7.3
207.11726	14.7
208.12457	6.2
209.13251	13.2
210.13971	2.2
211.11259	3.0
211.14746	8.0
213.12740	6.2
217.10013	3.0
217.15923	3.1
218.10924	3.1
219.11710	7.6
220.12550	5.1
221.13269	13.6
222.14124	3.8
223.14833	8.5
229.15898	2.6
231.11732	3.3
232.12370	2.6
233.13190	9.0
233.15344	3.9
234.13876	2.1
235.14804	11.4
237.12764	2.8
237.16408	4.8
239.17889	2.1
243.11646	3.6
245.13216	4.8
246.14056	5.0
247.14841	5.8
248.15608	3.4
249.16379	11.9
251.14279	2.9
251.17967	2.3
253.15906	2.2
258.14035	4.2
259.14899	3.2
261.16391	6.1
263.17859	5.3
264.18796	2.6
265.15723	2.0
267.17468	6.5
269.19141	3.8
273.16260	2.7
275.17944	4.3
277.19592	3.9
279.17337	4.9
281.18970	5.1
282.19778	9.3
289.19443	3.8
291.17419	2.8
293.19003	3.6
295.20560	6.0
297.18582	5.3
303.20944	3.7
307.20593	3.4
308.21304	3.8
317.18790	3.9
335.20020	4.6
343.20181	2.3
373.25314	14.7
391.26218	100.0
391.36053	8.3
392.26608	3.9
396.52457	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.7
55.05516	16.3
57.07074	12.1
59.54274	2.9
64.76187	2.9
65.03926	3.9
67.05515	28.4
69.03427	10.4
69.07075	34.4
70.70085	9.6
70.99783	3.2
71.05015	3.7
71.08636	10.7
79.05501	17.4
81.03415	3.7
81.07067	68.2
83.04978	3.4
83.08650	7.9
85.02897	4.7
85.06554	4.1
86.09670	2.9
91.05478	14.0
93.07058	30.7
95.04984	8.1
95.08607	35.8
97.06530	39.7
97.10165	14.6
99.04483	4.0
105.07043	16.4
105.65675	3.1
107.08591	34.2
109.06519	6.1
109.10159	53.5
111.08062	5.1
115.19221	3.0
117.07045	5.0
119.08591	22.4
121.02836	5.5
121.06493	5.5
121.10146	42.7
123.04418	4.5
123.08067	3.7
123.11726	36.7
127.03907	4.9
129.06990	4.1
131.08603	5.3
133.10109	20.3
135.07991	4.4
135.11696	13.4
137.09633	9.0
141.12769	3.6
143.08601	5.4
145.10141	12.3
147.08105	5.9
147.11705	14.5
148.76305	3.4
149.02350	100.0
149.09598	7.2
149.13229	6.8
151.11211	8.5
153.12805	4.9
157.06450	3.8
157.10208	7.2
159.11687	8.1
161.05994	3.8
161.09630	23.4
161.13300	9.3
163.11229	10.1
167.03401	8.7
167.10701	8.9
169.12233	7.4
171.11694	4.2
173.06087	4.6
173.13240	7.4
175.11221	14.1
175.14853	4.6
179.10645	16.7
181.12238	13.2
183.08073	4.3
187.13330	22.4
189.16335	5.0
193.12251	8.7
197.05994	8.4
199.07625	9.4
203.14357	3.3
208.02301	3.2
231.10210	6.5
245.22641	5.2
254.97511	3.4
255.21150	6.8
259.20685	4.2
273.22162	16.5
277.21704	6.7
281.15424	4.9
283.20572	13.0
291.23193	60.0
301.21588	51.8
306.17639	4.1
309.14813	11.0
309.24152	4.7
319.22678	48.4
327.15930	15.2
337.14337	6.9
337.23743	9.7
355.15384	4.8
373.10574	3.2
373.16223	7.0
391.11841	14.3
391.17462	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	391.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52475	3.6
53.03944	8.1
54.21447	3.7
55.05513	16.4
57.07079	15.6
65.03933	4.9
67.05503	20.8
68.66759	4.0
69.03415	22.4
69.07076	32.6
71.05001	8.2
71.08635	11.9
71.52119	6.3
79.05490	27.4
81.03420	21.9
81.07066	52.2
83.04986	12.3
83.08627	8.8
85.02919	29.6
86.09716	5.7
91.05484	15.5
93.07049	31.2
93.47888	4.3
95.04986	41.4
95.08610	32.2
97.06541	39.0
97.10183	16.6
99.04436	19.0
100.11234	8.0
103.03945	19.4
105.04552	3.9
105.07009	22.0
107.05006	3.9
107.08598	27.6
109.02898	15.3
109.06542	35.1
109.10166	22.6
111.08054	4.2
119.08589	34.3
120.08154	5.1
121.02848	4.7
121.06551	4.4
121.10149	22.5
123.08081	5.3
123.11737	12.5
125.09717	5.2
127.03939	50.6
129.06979	5.0
131.08583	10.1
133.10136	12.8
135.08054	18.1
135.11731	16.1
137.09615	10.3
139.11227	12.2
145.04930	5.0
145.10133	14.2
147.11699	6.0
149.02359	100.0
149.09653	5.9
149.13298	5.0
151.11151	5.3
153.12700	5.5
157.10118	7.9
157.12248	6.2
159.11780	9.1
161.09608	8.6
161.13234	5.0
163.03958	8.3
163.11157	7.8
163.14749	4.3
167.03400	11.0
169.12291	5.4
175.11156	4.7
184.07379	5.9
187.06023	5.8
187.14836	4.9
253.18123	18.4
259.09457	5.5
273.22363	5.5
291.23181	10.9
301.16418	8.7
301.21628	16.3
319.22806	26.9
337.23816	8.3
339.14554	6.8
347.16916	18.4
373.16534	5.1
390.81085	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	391.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	15.4
56.73155	4.2
57.03442	4.9
57.07062	12.7
57.76416	3.7
58.63202	3.9
65.00219	3.6
67.05511	27.1
69.07076	33.7
69.75006	24.3
71.05019	5.5
71.08638	12.8
79.05500	23.2
81.03442	5.7
81.07064	52.0
83.08643	9.9
86.33888	3.6
91.05489	9.7
93.07063	24.9
95.04993	4.7
95.07323	4.2
95.08611	38.6
97.06538	93.9
98.21412	5.6
105.07065	14.8
107.08622	22.0
109.10154	16.3
111.08118	7.3
111.11682	4.6
119.08591	11.0
121.02901	4.8
121.10170	10.5
123.11705	34.4
133.10143	6.5
135.04422	5.6
135.11687	9.2
137.09596	4.1
137.13269	11.1
139.11192	13.6
141.12727	4.7
143.08549	6.8
149.02350	100.0
149.13301	25.5
151.11220	4.6
165.09056	7.6
167.03377	9.9
171.08101	4.6
171.13864	9.1
185.15318	5.8
187.13310	7.6
199.11032	4.4
201.14893	10.5
217.19501	4.1
231.10211	16.1
241.08571	5.2
277.10464	6.0
293.24774	5.4
305.24863	10.8
307.26404	4.9
313.14087	4.7
319.26434	5.8
327.15823	6.8
337.27493	7.1
355.15607	8.1
371.02869	4.5
373.16510	14.2
390.37158	4.0
391.11813	11.8
391.17130	8.9
391.25525	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	392.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	17.7
57.07078	3.4
60.02654	3.7
67.05509	25.2
69.03429	3.7
69.07063	13.4
69.15340	7.5
69.15740	30.8
71.05019	4.0
79.05505	14.6
79.17361	3.3
81.07059	19.9
83.08630	9.9
84.04497	4.2
85.06574	5.7
85.32964	3.4
86.09716	6.3
87.04441	3.9
91.05472	12.3
93.07054	13.9
95.04955	6.3
95.08614	14.2
97.02939	3.6
97.06538	13.8
97.10163	18.1
105.07038	16.0
107.08612	14.7
107.15826	3.4
109.06528	36.5
109.10168	10.7
111.04417	4.2
111.08080	12.3
117.06962	4.6
119.08569	9.4
120.08091	3.3
121.06505	7.5
121.10149	9.0
123.04469	14.2
123.08107	21.3
125.05991	8.5
125.09666	16.6
130.24567	2.9
131.08559	4.3
133.06496	7.1
135.04456	8.7
135.08092	6.8
136.06221	27.0
137.05952	9.5
137.09636	10.6
139.07539	9.5
147.08040	5.5
149.02356	13.6
149.05986	9.6
149.09668	6.6
150.02742	5.3
151.07503	20.6
163.07585	4.2
165.09123	3.5
167.07063	18.7
167.10709	3.3
169.08633	14.3
171.10321	4.7
173.11745	14.4
181.05034	6.1
185.08113	11.2
185.13248	3.0
189.11217	14.2
191.10886	3.2
193.08614	10.4
203.14426	7.5
215.14404	4.1
234.80168	3.6
237.00787	3.7
243.11269	3.1
247.16902	8.0
257.15350	5.1
275.16528	34.6
290.08908	3.4
293.17535	53.9
303.15884	18.3
311.83646	3.3
315.18359	3.2
321.17001	100.0
339.18015	39.9
357.19092	5.3
367.25000	3.4
385.61603	3.1
392.24530	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	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05295	0.5
55.05512	5.2
57.03443	4.6
57.07079	28.2
59.29605	0.5
62.91747	0.6
67.05510	11.5
69.07074	6.7
69.26102	1.8
69.26525	3.3
71.08638	21.5
79.05493	1.1
81.07065	13.0
83.08626	9.7
85.06557	1.0
85.10184	12.5
86.69673	0.6
88.81555	0.6
91.05480	0.6
93.07071	1.5
95.04965	0.6
95.08613	22.1
97.10178	5.3
98.98474	52.8
99.08116	0.7
99.11745	1.1
105.07019	1.1
107.08592	1.3
109.10167	8.0
111.11700	1.5
116.99506	1.3
119.08604	1.4
123.11723	4.5
125.13215	0.8
133.10141	0.7
137.13255	1.9
140.01030	0.7
146.88844	0.5
150.87561	0.6
151.14803	1.2
153.59959	0.7
155.01051	100.0
157.10222	0.9
196.03745	0.9
221.22798	0.8
231.00354	0.7
239.23708	10.7
364.48254	0.6
376.25964	1.4
393.23840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	5.6
58.07395	2.0
67.58194	0.8
71.52894	1.2
71.53510	0.9
81.07072	1.2
91.05453	1.0
93.07042	2.0
95.08633	1.0
105.07028	1.6
107.08561	1.7
109.10150	1.1
119.08572	2.0
119.22472	0.8
131.08531	1.0
133.10144	1.3
144.57631	0.9
157.10117	1.1
164.85469	0.8
187.14877	1.0
201.99658	0.9
308.19516	1.3
309.19934	3.3
311.03693	0.9
375.24789	2.1
376.25992	1.4
379.20178	0.9
393.26120	100.0
394.26459	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.1
63.68040	0.6
67.05500	0.8
67.25245	0.6
69.07068	0.6
71.53510	1.0
79.05485	1.8
81.07048	1.9
91.05484	1.8
93.07047	2.3
95.04974	1.1
95.08610	1.2
105.07036	3.0
107.08607	0.8
109.10145	0.7
119.08554	2.2
119.44720	0.6
121.10120	1.2
131.08582	1.2
133.10159	1.2
135.11722	0.7
142.07703	0.8
143.08517	0.6
145.10089	1.6
147.11696	0.6
155.08551	0.7
157.10072	1.5
173.13156	0.7
177.00449	0.6
190.21483	0.6
278.62939	0.6
327.10446	0.6
370.19772	1.0
376.26022	0.7
393.26114	100.0
394.26300	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	393.279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	13.3
55.01899	3.2
55.05521	18.4
57.03436	4.2
57.07080	24.7
60.55672	3.0
64.49992	3.0
67.05513	41.3
69.07075	24.6
69.35989	10.9
69.36410	9.1
71.08636	14.2
79.05497	41.2
81.07066	67.3
83.04963	5.9
83.08630	12.6
85.10197	6.5
91.05491	52.0
93.07050	75.5
95.04971	54.9
95.08615	60.5
97.06521	13.7
97.10188	7.5
98.98466	32.2
103.05472	5.1
105.04517	3.3
105.07040	100.0
107.04986	3.2
107.08606	46.3
109.06543	15.0
109.10162	33.2
115.05453	4.1
117.07026	27.7
119.08591	93.1
120.08928	3.1
121.06523	26.7
121.10167	50.1
123.08073	5.7
123.11697	12.4
128.06229	10.8
129.07011	17.6
130.07841	6.5
131.08589	43.6
133.10141	56.7
135.08070	4.3
135.11697	18.1
137.09691	4.7
141.06961	4.4
142.07787	21.0
143.08583	36.3
144.09325	9.8
145.06494	3.3
145.10127	65.0
146.07323	3.1
147.08047	5.8
147.11690	22.4
149.09630	3.0
153.07022	5.0
155.01048	54.2
155.08553	13.0
156.09311	11.1
157.10147	56.1
158.10860	4.1
159.11693	44.2
161.09639	19.8
161.13275	6.5
163.11113	4.2
167.08604	6.3
168.09305	5.6
169.10118	26.4
170.10834	4.0
171.11711	27.0
172.12462	4.0
173.13277	21.3
174.10437	3.4
175.11208	12.6
175.14841	15.6
179.08574	3.1
181.10138	7.4
181.50780	2.9
182.10953	3.7
183.11713	17.2
184.72237	3.3
185.09711	3.8
185.13301	11.7
187.11212	7.6
187.14780	14.2
193.10091	9.3
194.10974	3.0
195.11713	10.0
196.12387	3.0
197.13246	16.5
199.11166	4.5
199.14847	7.9
201.16391	8.1
206.11057	4.3
207.11716	5.1
208.12576	2.9
209.13297	16.0
210.14151	2.9
211.14771	8.3
213.16522	4.9
217.15822	3.5
221.13240	4.7
222.14012	3.9
223.14917	7.2
225.16356	6.7
235.14778	6.4
237.16327	3.9
239.23732	7.0
241.19415	3.8
253.15903	5.2
253.19460	3.8
267.21246	3.1
336.41049	3.0
365.16986	2.9
375.26862	5.3
393.27878	10.3
416.95438	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	394.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05508	0.9
57.03440	0.7
57.29947	0.4
61.02924	0.9
69.03435	4.5
69.07076	0.7
69.70756	0.5
70.06596	7.0
70.78110	1.1
71.04990	0.9
72.08155	2.0
73.02933	0.9
79.05485	0.5
81.03425	4.5
81.07068	0.9
85.02911	22.6
86.09707	2.2
87.04491	0.8
88.07635	100.0
93.07030	1.0
97.02288	0.8
97.02892	7.4
97.06528	0.6
99.04461	10.8
103.03951	21.1
104.07082	0.6
109.02892	6.0
109.98482	0.4
117.75599	0.5
120.08110	4.3
121.06522	0.4
127.03920	29.7
134.09662	1.0
135.10454	4.5
137.09766	0.5
145.04962	17.2
155.86034	0.5
163.06033	8.8
163.07257	0.8
166.05342	0.7
169.05051	0.8
178.15895	3.0
180.17519	1.2
185.09183	0.5
187.06108	2.6
196.17018	3.0
199.06046	0.7
205.07069	2.2
222.18507	0.5
223.09100	0.6
233.16545	0.9
240.19650	3.2
271.08228	2.0
289.09235	1.4
307.10324	1.2
332.16025	0.5
350.17239	3.2
358.22314	0.9
376.16150	0.7
394.20499	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	394.1864
Annotation	Acetylgynuramine
Peak:m/z	Relative Intensity
55.05516	5.9
57.07067	1.6
65.03921	1.7
67.05504	2.1
69.03423	5.6
69.07067	1.9
69.29903	4.3
69.30338	4.6
70.06591	1.1
73.45177	1.1
79.05495	8.2
81.03411	1.0
81.07061	3.0
83.04989	32.3
84.04498	4.4
85.02895	1.4
85.06549	1.2
86.09699	4.7
88.04012	2.4
91.05482	15.7
93.07065	7.5
95.04977	2.4
95.08614	3.0
97.02938	1.1
97.06525	1.9
98.21513	2.1
102.05513	1.2
103.05476	1.6
105.06453	1.4
105.07040	9.2
107.04964	1.9
107.08604	48.2
107.25633	0.9
109.02895	2.2
109.06503	4.5
111.04453	1.7
113.06035	2.3
115.05466	3.3
117.07008	7.7
119.06091	1.3
119.08588	10.8
120.07253	1.6
120.08112	29.0
121.06506	8.4
121.10157	3.1
123.08105	1.9
127.07554	3.9
128.06259	1.1
129.07001	2.3
130.04993	4.4
130.06541	8.5
130.07454	1.5
131.04922	1.7
131.08600	5.4
132.10262	1.6
133.10185	6.0
135.08063	100.0
136.08437	1.2
137.09615	1.6
143.08519	1.5
144.08116	1.6
144.09317	2.2
145.06497	5.1
145.10141	4.1
147.08075	7.3
148.06035	6.8
149.06003	1.6
149.09630	2.0
153.09129	2.2
158.10890	1.8
159.08063	5.5
159.11705	11.6
161.09647	8.1
161.13298	5.2
163.07555	38.1
166.07225	4.4
166.08551	1.4
167.07072	5.6
172.07553	2.0
172.08839	1.5
173.05925	3.0
173.09621	2.8
173.13301	10.3
175.08757	4.8
177.09119	1.2
177.12788	2.5
185.13287	1.1
186.10402	3.4
187.11169	14.2
189.09074	1.5
189.12759	4.0
190.08632	2.8
191.07095	2.7
191.10611	1.1
201.12706	9.8
203.14302	9.1
205.12228	13.1
219.13809	55.5
220.14171	1.2
229.12241	15.7
235.10799	23.9
247.13310	21.2
263.10349	5.5
265.14322	2.7
277.92511	1.4
286.17969	3.3
290.13873	1.9
304.19092	5.2
350.19662	4.6
364.18628	1.1
376.17606	2.9
394.18942	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	394.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.9
56.01797	2.1
57.07082	88.7
58.07393	2.1
67.05479	4.6
69.07066	7.5
71.08241	4.0
71.08638	79.0
81.07048	4.6
83.08600	6.1
85.10188	48.7
89.05488	4.4
89.06039	80.7
89.06581	4.9
95.08689	2.5
96.31199	2.4
97.10162	3.7
98.98489	14.9
99.11739	7.1
107.07076	4.3
113.13284	3.6
127.14874	2.5
133.08621	34.6
151.09705	5.1
155.01036	21.8
177.11246	12.5
190.80077	2.2
195.12297	100.0
320.93307	2.2
377.32651	88.7
394.34692	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	395.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51677	3.4
56.05044	4.2
56.96550	11.9
67.05496	5.5
69.03436	7.1
69.07059	10.3
69.48911	21.0
70.06611	4.5
81.03419	5.3
81.06999	3.3
83.36784	3.2
84.96013	10.3
85.02886	9.5
86.09696	7.3
87.00845	4.1
91.05453	16.7
97.06532	4.3
97.96781	6.8
98.97580	50.1
105.01857	4.9
105.07034	4.6
107.04939	4.0
109.02882	6.2
110.97577	15.4
111.11707	7.1
112.99126	4.1
116.98625	19.5
123.04481	3.9
127.03951	7.9
128.98595	9.7
134.99640	4.6
140.98618	4.5
143.00195	10.2
145.04874	3.7
146.99658	5.2
149.09641	3.9
158.99652	7.8
161.01202	7.2
163.11179	3.3
165.02184	3.7
170.99663	7.2
173.07442	3.2
177.00699	7.4
187.11159	3.3
201.00824	3.5
207.03334	13.3
219.01723	24.3
225.04268	4.7
237.02776	31.0
239.80499	4.1
261.69980	3.6
309.06360	29.7
327.07498	100.0
350.09036	6.3
351.07687	5.5
369.08691	9.2
395.07465	70.4
396.07114	3.4
396.55331	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	395.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	11.5
57.07083	2.9
67.05508	32.0
69.03439	3.4
69.07066	8.3
70.54396	3.9
71.04985	3.3
79.05498	9.5
81.03423	5.3
81.07065	64.5
83.04971	2.0
83.08630	5.3
85.02932	3.3
85.06537	4.7
86.09727	2.4
91.05482	6.4
93.07051	8.8
95.05001	2.4
95.08611	43.5
97.06527	5.0
98.21465	2.3
98.22120	2.1
105.07030	9.7
107.08646	4.2
109.02907	2.2
109.06493	2.7
109.10182	3.3
119.08578	11.0
121.06506	3.3
121.10104	3.7
123.08059	3.0
127.03915	2.2
131.08392	2.3
133.10143	6.3
135.11717	10.7
137.13263	100.0
145.10124	4.4
161.13266	17.4
163.11200	2.3
173.09604	2.1
179.14331	24.9
197.15385	12.7
205.12286	3.0
215.10809	3.3
215.16434	75.4
233.11852	2.7
233.17496	13.0
243.11327	2.2
257.84396	2.0
285.12445	5.0
377.11728	5.1
395.16910	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	396.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60030	1.1
57.07084	29.5
59.07012	1.3
62.00858	1.3
69.07075	1.5
71.00862	2.4
71.08643	26.8
73.06548	5.5
83.08616	3.6
84.11362	1.1
85.10194	22.9
87.04468	1.8
89.06042	100.0
97.10200	1.5
99.11758	3.0
105.99838	1.2
107.07038	2.5
111.09477	1.3
123.76335	1.1
127.17390	1.3
130.08653	1.9
133.08617	46.5
141.16408	2.6
151.09688	2.9
177.11278	13.2
184.07404	1.7
185.19038	5.6
195.12303	2.6
221.13980	1.7
226.21761	1.5
229.21687	7.5
239.14899	31.1
273.24225	1.4
291.25446	2.0
327.26660	1.7
335.28049	1.5
379.30615	46.0
380.30655	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.05500	3.9
58.32438	1.6
59.05013	1.7
61.01187	1.5
61.02931	3.1
62.90464	1.5
67.05490	2.0
69.03427	12.3
69.56314	9.2
70.06593	6.9
71.04985	4.6
73.06543	10.5
81.03425	14.5
84.08162	1.9
85.02912	71.7
86.09712	3.5
91.05466	2.6
93.07070	1.7
97.02895	20.6
98.97583	2.6
99.04459	39.2
101.06023	3.6
103.03949	88.5
105.07034	2.3
109.02879	18.0
116.07104	2.9
117.03431	2.0
120.08114	2.0
127.03924	100.0
133.10092	1.6
145.04970	45.7
147.04393	1.8
147.96619	1.5
154.95876	1.7
163.03925	5.7
163.06030	34.9
163.07390	1.9
180.08887	2.4
187.06027	6.3
199.09666	2.4
213.12344	4.4
237.11693	1.9
259.11710	8.9
271.08200	3.4
277.00287	2.7
289.09290	2.2
307.10379	3.1
379.12436	2.2
385.93243	1.9
397.13596	4.0
397.18411	6.6
397.23203	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	397.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.5
55.01865	1.4
55.05520	7.0
55.56289	1.3
57.03421	3.5
59.17805	1.5
61.02933	2.4
69.03442	12.2
70.06583	5.4
71.04993	4.8
71.69593	1.3
73.02905	3.1
73.06186	2.0
73.06566	25.4
79.05488	2.1
81.03429	18.5
83.04966	2.1
85.02917	85.4
85.06540	1.5
86.03253	1.9
86.09704	2.7
87.04453	1.2
95.04961	1.3
97.02904	23.3
98.97555	3.1
99.04463	45.8
100.04787	1.5
101.06033	13.1
101.61485	1.3
103.03954	88.1
109.02886	15.6
110.07198	2.4
116.07094	1.9
120.08086	1.8
127.03931	100.0
137.58946	1.6
145.04980	51.1
157.08644	3.7
163.03946	2.0
163.06042	33.3
172.25891	1.2
187.06052	5.9
199.09630	2.7
205.07010	1.9
213.12418	2.3
235.11690	1.7
248.27982	1.4
259.11780	19.2
271.08090	4.7
307.10199	2.5
379.16595	1.5
397.08231	1.7
397.14389	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	397.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79724	1.0
66.32000	1.0
69.03428	1.4
70.06615	1.5
85.02908	2.6
132.95836	3.8
136.06203	100.0
143.01993	1.2
158.06619	1.3
174.96980	2.0
186.96964	2.9
198.96883	1.6
216.97989	2.5
234.99020	3.2
268.10452	24.8
273.60828	1.2
277.00006	10.0
281.13412	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	397.1858
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03935	15.7
55.01864	11.0
55.05510	16.8
60.59525	2.4
65.03946	3.5
67.05515	24.2
69.03432	26.4
69.07066	17.2
69.16100	5.8
69.16505	23.0
70.06575	4.3
71.04991	14.1
74.68729	2.4
77.03938	3.4
78.94080	2.5
79.05486	32.4
81.03417	62.0
81.06588	4.6
81.07054	65.8
82.73783	2.5
83.04987	35.8
83.08628	9.6
85.02894	7.9
85.06540	13.8
86.09707	3.7
91.05481	26.9
93.07040	63.4
95.04973	30.1
95.08605	36.2
97.02904	6.0
97.06529	31.9
98.20741	5.6
99.04456	23.5
100.42385	3.2
105.07034	59.1
107.04961	14.6
107.08591	34.9
109.02879	100.0
109.06523	37.8
109.10172	8.0
111.04443	10.1
111.08089	28.0
113.06004	6.6
115.05396	3.0
117.07017	8.2
119.04937	4.4
119.08588	29.7
121.06504	60.1
121.10142	7.7
123.04429	8.6
123.08083	7.2
123.11712	9.5
125.05986	19.4
127.03913	28.6
127.07562	11.0
128.06227	2.9
129.07010	8.7
131.08591	10.4
133.06517	8.9
133.10127	24.5
135.04417	6.1
135.08107	15.3
135.11723	3.1
137.05983	7.4
137.09550	3.3
139.07530	21.8
142.07779	7.5
143.06056	2.9
143.07068	16.6
143.08531	13.5
145.06511	6.1
145.10123	11.7
147.08049	11.6
147.11688	56.6
149.09644	7.3
149.13222	6.7
151.07521	4.2
151.11136	2.9
151.90041	2.8
157.08723	4.4
157.10130	19.9
159.06573	10.6
159.07935	6.3
159.11696	7.3
161.06033	6.8
161.09572	4.5
161.13287	12.5
163.03925	11.6
163.07549	3.7
163.11195	5.7
165.12753	21.9
166.07762	3.8
169.08620	4.3
169.10033	3.7
169.12228	12.4
171.08057	4.6
171.11679	15.9
173.09598	6.0
175.11186	39.9
181.10147	3.3
187.11273	3.5
189.12732	27.6
191.10635	4.9
193.12256	38.0
199.11180	25.3
205.06729	2.9
207.13811	12.3
209.11661	5.8
211.13284	36.7
215.10696	4.8
217.12233	78.4
227.12816	5.4
229.14465	3.3
235.13284	73.2
251.12709	5.3
253.14355	49.5
260.97070	3.1
283.13376	3.2
297.13953	2.5
301.14301	4.3
303.17728	5.5
319.15567	3.6
325.14587	3.1
333.17142	6.0
335.20493	7.7
361.16476	11.7
379.17786	14.0
379.22235	3.8
397.14484	11.1
397.18930	47.3
397.23657	6.3
398.18777	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	397.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	15.2
55.01869	6.9
55.05511	13.6
57.03428	6.6
61.02961	2.2
67.05508	21.0
69.03085	3.3
69.03434	44.3
69.07076	22.3
71.04997	13.7
73.44718	2.5
74.51984	2.0
79.05070	3.0
79.05491	30.9
81.03421	67.5
81.06593	4.0
81.07057	62.8
83.04984	43.4
83.08624	9.1
85.02890	4.7
85.06541	17.7
91.05476	32.0
93.07047	75.2
95.04974	31.7
95.08611	41.3
97.02892	8.7
97.06534	38.3
99.04452	29.5
103.05475	2.5
105.04562	3.4
105.07035	67.0
107.04953	10.1
107.08600	45.1
109.02884	95.2
109.06520	40.8
109.10146	10.2
111.04456	10.4
111.08088	25.1
113.05999	7.8
115.03979	2.1
117.07012	6.4
119.04937	4.4
119.08576	31.0
121.06509	71.7
121.10133	11.2
123.04457	9.0
123.08067	9.9
123.11710	10.4
125.06016	28.9
127.03924	48.3
127.07555	15.0
129.07013	3.9
131.08569	14.0
133.06487	9.1
133.10135	27.5
135.04405	6.4
135.08052	23.4
135.11699	4.4
137.05968	7.2
139.07559	33.6
141.05519	4.0
142.07785	6.5
143.07076	17.4
143.08569	14.8
145.06499	5.0
145.10135	15.3
147.08029	9.6
147.11697	69.5
149.06007	3.3
149.09602	6.4
149.13245	6.3
151.07619	4.1
151.11192	7.0
153.09142	2.9
155.07062	2.7
155.08560	3.9
156.09280	4.8
157.08638	7.2
157.10132	23.0
159.06505	8.8
159.07991	5.0
159.11729	4.6
161.05998	4.2
161.09633	5.6
161.13229	13.6
163.11203	6.6
165.12787	24.0
166.07764	5.7
169.08629	3.5
169.10150	2.3
169.12279	15.2
171.11656	18.5
173.09637	9.1
173.13304	3.6
175.07529	2.2
175.11182	45.2
177.09117	2.4
181.10129	2.9
185.09631	2.3
185.13455	2.2
187.06001	3.3
187.11208	5.9
189.09056	2.5
189.12747	36.6
191.10699	7.3
191.14330	4.7
193.12251	58.2
199.11203	24.7
201.09145	2.2
205.12209	3.2
207.13802	25.7
211.13268	37.6
215.10713	4.5
217.12253	99.0
225.14819	2.8
229.14400	5.3
233.11734	3.6
235.13304	100.0
237.11177	3.6
251.12778	8.0
253.14371	66.1
269.10013	5.1
271.15402	4.5
319.15381	5.5
337.16559	6.6
343.15399	5.4
361.16498	11.8
379.17484	19.4
397.18643	49.9
397.23730	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1858
Annotation	Wallichoside (Pteris)
Peak:m/z	Relative Intensity
53.03944	15.4
53.67613	2.2
53.87671	1.9
55.01860	11.4
55.05502	10.0
57.03434	2.6
57.07072	2.4
62.80807	2.1
65.03940	3.6
67.05510	23.4
69.03086	3.5
69.03432	45.0
69.07066	22.5
70.10143	4.9
70.10531	5.0
71.05007	15.6
77.03946	2.3
79.05496	29.6
81.03422	61.7
81.06592	3.8
81.07060	68.8
83.04987	39.3
83.08615	11.0
85.02905	9.6
85.06557	12.8
85.72194	2.1
86.09673	2.1
91.05482	32.7
93.07049	77.4
95.04964	31.1
95.08057	3.5
95.08610	37.2
97.02882	6.9
97.06535	40.4
98.20793	2.1
99.04462	34.8
103.05512	3.2
105.07034	61.4
107.04958	7.3
107.08597	46.9
109.02135	4.9
109.02883	100.0
109.06530	41.6
109.10158	6.6
111.04456	12.1
111.08084	26.0
113.06019	5.2
117.05484	2.1
117.07029	9.0
119.04964	5.1
119.08583	30.8
121.06511	86.5
121.10123	11.2
123.04439	4.8
123.08050	13.2
123.11706	6.8
125.02400	2.3
125.05994	20.9
125.09648	2.5
127.03916	38.7
127.07533	12.5
129.06999	6.8
131.08530	13.4
133.06485	5.1
133.10133	27.9
135.04430	6.6
135.08052	17.8
136.06174	36.7
137.05908	9.3
137.06586	7.5
137.09610	2.4
139.07538	23.7
141.05428	3.4
142.07788	5.8
143.07034	17.4
143.08516	11.5
145.06462	4.5
145.10117	16.5
147.08040	10.2
147.11687	65.6
149.09608	7.1
149.13261	4.8
151.07585	6.1
151.11125	10.4
153.05566	2.1
153.06918	2.4
153.09167	2.6
155.08546	3.0
156.09343	5.0
156.41254	2.5
157.06554	2.8
157.08638	5.9
157.10129	24.4
159.06528	8.7
159.08066	6.2
159.11623	3.2
161.06017	3.9
161.09616	5.7
161.13277	12.5
163.07527	3.5
163.11180	9.4
165.09036	2.9
165.12770	23.9
169.08658	4.9
169.12219	14.9
171.08072	2.3
171.11705	14.6
173.09578	5.2
173.13261	3.7
175.07608	4.5
175.11182	50.6
177.09099	5.4
181.10112	5.1
187.05980	3.3
187.11180	4.8
189.09120	3.3
189.12749	32.5
191.07065	2.2
191.10638	7.1
191.14294	4.5
193.12244	45.4
199.11195	30.3
205.12288	2.2
207.13812	20.9
209.11783	4.4
211.13278	41.1
215.10817	3.6
217.12242	98.1
219.10181	2.7
225.15053	2.3
229.14406	6.9
233.11766	6.0
235.13283	86.6
236.13855	2.2
251.12779	8.2
253.14365	49.9
255.13812	2.6
267.08698	2.3
269.10519	2.4
269.13626	3.4
273.14731	2.5
297.17792	2.2
319.15298	4.7
321.72064	2.2
325.14441	5.9
337.16458	3.0
343.15546	6.0
361.16495	10.7
365.20013	5.3
379.17493	15.6
379.21640	3.4
397.13596	4.5
397.18512	34.2
397.22888	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	397.2562
Annotation	His Lys Leu
Peak:m/z	Relative Intensity
55.05503	0.9
67.05503	1.1
69.07066	0.8
69.80497	1.2
69.80882	2.4
78.88836	0.5
79.05486	1.7
81.03403	0.6
81.07054	1.3
83.26482	0.5
91.05475	3.3
93.07038	1.4
95.04951	0.7
97.06561	1.0
98.20802	0.7
105.07055	1.4
107.08613	0.9
109.06579	0.6
119.08580	1.1
123.11755	0.6
131.08557	0.8
133.10147	0.6
166.90631	0.5
218.00146	0.5
247.53545	0.6
264.81003	0.6
379.21298	0.6
397.25656	100.0
398.26056	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1494
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
52.02467	0.3
55.01855	1.2
55.05505	0.4
57.03449	1.5
57.07054	0.5
59.05004	2.4
60.27406	0.3
61.02913	0.8
65.03950	0.3
67.05517	1.7
69.03439	2.4
69.15155	3.0
71.01357	0.8
73.02927	0.6
81.03406	1.3
81.07018	0.6
84.04465	0.4
85.02911	5.5
86.09726	0.3
87.00838	2.2
92.65567	0.3
93.07049	0.4
97.02892	1.9
97.06510	0.4
100.11251	0.4
105.01864	3.1
107.08572	0.6
109.02849	1.6
109.05125	0.4
115.03913	0.4
115.11211	0.6
119.08648	0.5
127.03921	3.3
133.04964	0.4
133.12218	0.5
134.04630	7.4
135.03093	0.3
140.02753	0.8
145.04985	1.0
146.18205	0.3
148.08752	0.3
148.10052	0.3
151.03882	1.6
151.11145	0.3
152.05672	1.9
158.07054	0.4
163.03964	0.3
165.02318	4.7
167.02597	0.6
175.09796	0.6
181.05415	0.6
182.04964	100.0
194.04964	2.8
200.09282	0.4
205.05411	1.7
216.04643	1.2
219.06996	0.9
221.08540	0.5
224.06009	0.4
231.04971	0.7
231.07005	7.3
233.11694	0.6
248.09650	12.1
249.06094	0.5
266.10709	84.8
267.11002	1.1
314.09189	0.6
355.08258	0.4
398.14926	41.1
399.15179	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.8
57.03437	2.9
61.55327	2.2
66.36154	1.9
68.81937	2.4
69.03438	12.1
69.34019	18.2
71.05003	3.8
73.02908	2.2
75.54285	1.9
81.03428	15.3
82.50155	2.5
85.02377	2.8
85.02908	73.6
97.02903	20.9
99.04454	37.2
103.03946	100.0
109.02886	15.5
111.81338	2.1
127.02972	4.8
127.03925	96.7
145.04961	64.7
163.06033	47.2
187.06076	5.4
205.07161	4.7
232.47321	2.2
246.05713	2.2
253.07144	2.6
269.74957	2.5
271.08121	6.5
282.81198	2.5
289.09149	5.4
299.26825	2.3
307.10217	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	398.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68226	2.8
53.03925	2.4
59.63552	2.3
61.02917	2.9
66.41277	2.2
68.91980	2.3
69.03419	8.3
70.19506	5.8
73.02901	2.6
75.42030	2.2
80.40791	2.9
81.03416	11.6
82.15982	2.5
85.02908	71.8
97.02891	17.6
99.04459	37.8
103.03948	100.0
109.02879	17.4
127.03928	92.9
127.76704	2.4
134.82115	2.6
145.04967	63.0
163.06018	64.1
187.06076	6.4
205.07014	4.1
271.08102	7.9
289.09116	7.4
289.26587	2.5
307.10251	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	399.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01868	0.9
55.05509	0.5
57.03423	0.4
65.03945	2.2
67.05508	1.8
69.03431	1.7
69.07044	0.3
70.06593	0.5
70.69286	0.2
71.04984	0.6
71.08637	0.2
72.08202	0.2
79.05479	0.5
81.03423	4.1
81.07037	0.6
83.01328	0.3
83.04993	0.4
85.02905	2.1
85.41814	0.2
86.09691	0.3
87.00850	0.4
91.05489	0.5
93.03419	0.7
93.07049	0.4
94.54847	0.2
95.04980	1.0
95.08613	0.4
97.02901	2.1
99.04460	0.9
100.11243	0.3
101.35123	0.2
105.04515	0.3
105.07037	0.5
105.35734	0.2
107.08650	0.3
108.02096	1.9
109.02864	1.5
111.00804	0.6
111.04421	1.1
119.08596	0.5
121.03966	0.3
121.06495	0.3
121.10184	0.2
123.04474	0.3
125.06037	0.5
127.03926	1.8
129.05446	0.2
131.08569	0.6
133.06523	0.2
136.01532	0.5
141.05463	1.8
142.70116	0.2
151.03915	100.0
151.04997	7.5
152.04266	1.0
153.01839	0.5
161.04442	0.2
169.04951	1.2
174.62154	0.2
193.12283	0.7
211.13361	0.7
213.03960	0.2
213.86218	0.2
231.05017	0.5
295.08075	1.0
355.08185	2.2
381.08221	0.6
398.32831	0.2
398.82990	0.2
399.10800	0.9
399.15747	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	399.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
57.07081	9.6
61.37925	0.6
67.05507	2.8
69.07066	2.9
70.96840	1.6
71.08644	8.0
81.07063	4.7
83.08623	1.3
85.10190	3.2
86.09714	100.0
90.73901	0.6
91.05547	0.6
95.08611	6.5
97.02913	1.5
97.10191	2.4
105.07065	0.8
107.08572	0.8
109.02894	0.7
109.10141	3.0
111.11729	1.5
120.88364	0.7
121.10179	0.8
123.11736	0.8
132.10217	61.1
143.11807	12.4
143.12817	1.1
171.11319	1.6
189.12381	6.8
211.20583	5.8
240.23274	9.3
268.22736	17.6
381.31409	1.2
399.31134	1.5
400.38034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.5
57.03442	12.4
57.06801	1.0
57.07077	19.5
57.37951	0.6
67.05496	1.0
69.03385	0.6
70.06597	2.8
70.17580	2.1
71.01332	0.9
72.08137	1.2
73.02909	2.0
75.04486	6.3
77.02417	3.7
81.03425	0.8
81.65253	0.6
84.08146	0.7
85.02911	6.0
86.09710	1.6
87.04476	3.9
87.08111	5.7
91.05453	0.7
95.01340	3.0
97.02887	1.7
98.20853	0.8
98.97582	1.0
103.03970	0.8
105.03392	1.1
109.10107	0.6
111.16766	0.6
113.02386	3.0
115.03931	1.7
116.07096	1.5
123.08106	0.5
129.05496	0.6
131.03416	1.2
133.05008	0.8
141.01819	6.8
145.04828	0.8
147.11642	0.7
159.02917	1.7
163.03911	0.9
189.11226	100.0
214.01384	0.7
222.08496	0.6
231.12210	1.5
243.70930	0.7
314.25131	0.7
329.92313	0.6
347.13333	0.7
365.14484	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	400.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.3
55.05508	2.7
61.02947	2.2
62.86391	1.9
63.16504	1.8
69.03431	12.6
69.28160	4.2
69.28564	11.8
70.06615	5.4
70.73019	1.7
71.04986	4.4
71.20628	1.6
72.08162	4.2
73.02931	3.9
81.03420	13.2
85.02911	64.1
86.09708	3.0
87.04456	2.0
87.73251	2.0
95.04944	2.1
97.02911	29.5
99.04460	34.9
99.84316	1.8
103.03951	74.4
109.02883	17.0
116.07104	2.6
127.03928	100.0
129.05493	2.6
145.04979	60.0
159.55475	1.9
159.70636	2.1
163.03934	2.7
163.06035	60.8
163.07408	3.5
169.04984	2.2
187.06004	4.1
202.24292	2.1
205.07100	2.1
227.00694	2.1
236.09248	21.1
267.64636	2.0
271.08069	12.7
289.09152	12.8
296.80490	1.9
307.10324	16.1
383.14798	2.6
400.13919	6.5
404.20071	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	400.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
57.39746	3.4
58.09017	3.6
60.63593	3.5
69.03432	17.9
69.67233	21.8
70.06575	4.7
70.63007	3.7
71.05000	6.8
72.08154	3.6
73.02882	3.9
81.03398	10.2
84.04493	3.4
85.02909	73.8
86.09702	4.6
97.02908	27.1
99.04462	30.8
103.03947	88.0
109.02848	19.6
111.04401	5.6
127.03924	100.0
145.04967	64.0
163.03851	5.0
163.06023	53.6
236.09166	14.9
245.10297	4.7
245.68820	3.7
271.08118	11.1
289.08948	8.3
301.18073	4.0
307.10205	18.1
354.07825	3.6
400.13718	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	400.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11985	4.5
55.01854	7.2
55.05508	17.4
57.03444	13.5
58.70953	5.1
66.23901	5.0
67.05234	4.9
67.05511	53.6
69.03415	5.2
69.07071	11.5
70.24310	10.6
71.04980	5.2
79.05477	34.7
81.03419	12.3
81.07055	55.5
83.04992	26.1
83.08634	4.9
85.06519	6.4
87.63824	5.0
91.05492	46.5
93.07045	34.7
95.04945	12.2
95.08595	20.8
105.07039	52.0
107.05001	5.2
107.08601	44.0
109.06520	11.2
109.10157	71.3
117.07037	9.2
119.08598	12.6
121.10126	14.7
123.11679	7.5
123.56161	5.0
124.09853	4.9
131.08586	12.5
133.10147	69.2
135.08023	6.7
135.11684	10.0
145.10143	8.2
147.11665	15.1
149.09651	8.0
151.11220	29.3
157.08569	6.0
159.08075	5.6
159.11716	5.6
161.09625	8.2
161.13184	7.8
169.12216	5.1
185.13210	6.5
215.12813	6.9
215.36528	5.1
253.14369	100.0
259.20514	18.0
271.15359	27.3
273.18518	12.5
291.19495	20.1
351.25183	13.7
365.23199	60.9
400.27454	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	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.3
55.05505	10.7
57.03426	5.8
60.06913	2.5
67.05514	36.2
69.03416	3.1
69.07057	11.4
70.02545	9.1
71.04983	3.8
79.05496	23.4
81.03399	6.6
81.07059	50.5
83.04971	11.1
83.08607	4.4
85.06532	6.0
91.05479	34.4
93.07052	30.6
95.04949	6.9
95.08589	12.6
97.06519	7.5
99.04427	3.0
99.96174	2.6
105.06395	3.6
105.07034	33.9
107.04951	5.4
107.08588	32.5
109.06524	8.8
109.10161	48.9
111.08057	4.2
117.07008	4.5
119.08540	7.7
121.10126	11.3
123.08061	4.5
123.11702	6.2
131.08563	8.2
133.06425	3.7
133.10144	58.7
135.08073	3.8
141.12793	2.8
149.09584	6.4
151.11182	26.9
153.94655	2.5
161.09648	3.6
169.12199	7.2
175.11241	2.9
253.14363	100.0
271.15417	22.0
273.18555	16.0
277.21652	5.9
291.19498	14.4
326.01678	2.9
365.23251	25.4
414.87057	2.8
414.93411	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	400.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	14.3
55.05518	27.3
57.03434	18.9
67.05508	100.0
69.07068	20.0
71.52090	16.4
72.77016	12.0
75.91809	12.4
79.05481	37.3
81.03429	18.6
81.07064	98.5
83.04982	18.2
84.93203	10.8
86.90632	12.9
88.13358	12.4
91.05483	75.3
93.07055	42.7
95.08624	38.5
95.43562	11.9
97.06501	18.3
105.07029	52.1
107.04935	16.0
107.08603	42.3
109.10165	82.0
119.08585	29.9
123.11803	16.5
131.08563	20.8
133.06462	15.5
133.10156	81.6
135.08150	15.7
151.11205	58.6
161.09572	15.7
200.10321	13.7
253.14357	50.2
271.15332	60.9
273.18494	34.0
291.19714	21.5
365.23300	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3786
Annotation	N-hexanoylsphinganine
Peak:m/z	Relative Intensity
51.74254	0.1
53.03951	0.2
55.05513	8.5
56.05033	0.5
57.07079	1.9
58.06606	1.5
62.06112	0.1
67.05499	0.6
68.05022	0.3
69.07072	7.1
69.88728	0.6
70.06596	14.1
71.08632	0.6
72.08156	0.7
74.06091	1.0
81.07058	0.5
82.27274	0.1
83.08617	3.3
84.08148	0.4
85.10197	0.4
86.06084	0.3
86.09700	0.6
88.07635	27.0
95.08611	0.4
97.08817	0.1
97.10166	1.4
98.20870	0.2
102.09184	10.9
109.10210	0.1
111.11717	0.2
116.10730	0.1
126.12806	0.2
132.10205	1.4
146.11725	1.0
150.11266	0.8
154.15933	0.3
180.17963	0.1
184.07394	0.2
239.23589	0.2
243.00839	0.1
273.81757	0.1
294.31555	0.4
312.32669	0.3
320.33182	0.2
338.34171	32.0
339.34448	0.5
382.36899	2.7
400.37860	100.0
401.38205	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	401.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
61.02908	0.6
64.76626	0.7
69.03427	1.4
69.25256	4.8
70.06603	1.0
73.02920	0.9
82.75925	0.7
82.99888	1.8
85.02897	3.0
97.02901	3.3
98.21524	1.3
101.00888	14.1
109.02872	1.9
113.00872	4.9
115.02425	0.9
118.97469	1.6
119.01149	1.2
119.01931	13.0
127.02434	2.6
127.03922	1.3
131.01906	7.8
136.98483	4.7
139.02457	1.3
143.01906	18.2
145.03494	8.1
145.04803	1.1
147.01410	1.2
149.02951	0.8
153.04013	1.0
154.99460	1.1
155.01906	20.5
157.03484	9.9
159.01381	0.8
160.98499	1.2
161.02969	17.1
163.04544	0.8
166.99637	1.5
167.01920	10.0
169.03497	3.4
171.01375	0.7
171.05013	1.9
173.02972	24.2
175.04503	1.2
178.99585	1.9
179.01935	3.6
185.02969	33.7
187.04524	3.6
191.04056	1.2
197.00700	2.5
197.02971	11.2
197.04718	0.6
199.04543	1.0
203.04025	8.9
209.02933	1.0
209.31660	0.7
215.04033	6.2
221.00630	1.9
221.05005	2.5
223.71974	0.6
224.45476	0.7
227.04021	6.7
231.05711	0.7
239.01717	10.5
239.04013	1.1
245.05098	100.0
246.05356	1.9
257.02731	7.8
257.05142	7.8
263.06171	9.4
275.06155	14.3
293.07300	3.1
305.07199	10.6
320.56979	0.8
335.08255	4.5
365.09241	9.7
401.06982	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	401.1595
Annotation	Gomisin R
Peak:m/z	Relative Intensity
50.83776	0.9
57.07084	1.2
70.27543	2.8
72.08163	1.9
79.05507	5.5
81.07039	1.5
85.02896	1.5
86.09702	2.3
91.05465	2.6
95.04971	1.5
101.89209	0.9
107.04971	12.7
109.02870	1.1
115.05431	1.1
123.04382	1.2
124.05236	1.6
125.05994	1.1
127.03896	1.2
128.06256	1.6
129.07027	2.8
131.08569	2.8
137.12151	0.9
141.07010	2.3
144.05717	3.7
156.05693	8.6
157.06473	3.2
158.07256	1.3
159.08035	5.9
165.07011	2.2
167.07042	23.5
169.06514	2.1
170.07312	1.9
172.05225	1.5
174.06802	2.8
175.07474	1.2
178.07899	1.0
179.06955	1.2
179.08499	1.2
186.06812	2.9
187.07536	3.2
189.07072	1.2
189.11220	2.8
190.07780	1.8
190.11607	2.9
191.08594	3.9
197.05879	1.2
200.08330	1.0
201.09163	2.6
202.06210	1.9
202.07822	2.9
203.08572	3.1
205.06479	3.3
205.08630	4.6
206.07294	1.6
207.06436	2.1
207.08212	2.4
208.05261	3.4
208.08829	3.7
210.06729	2.2
215.08566	1.3
217.08583	16.0
217.10452	1.8
218.07292	5.8
218.28290	1.0
219.08115	14.0
219.10124	2.0
220.08894	3.6
221.05939	4.1
221.09619	2.1
229.08682	8.1
231.08107	5.5
231.10118	1.7
232.08835	1.9
233.06125	1.2
233.09529	7.0
234.06827	2.9
235.07622	4.7
235.11209	1.1
236.04759	1.6
236.08325	6.5
237.09175	2.3
237.78059	1.0
239.07262	1.2
240.03932	1.0
244.08914	1.6
245.09621	2.7
246.06737	2.6
247.07549	14.2
247.09740	4.9
248.08348	10.8
249.05441	3.7
249.09099	3.3
250.06322	2.4
250.09837	1.2
251.06982	1.1
251.10680	3.8
253.08606	1.3
259.07510	2.4
260.08334	1.1
261.09088	4.8
262.06461	1.1
262.09946	3.5
263.07205	4.8
263.10681	6.8
264.07803	10.4
265.08621	6.2
267.06558	1.7
268.10721	1.4
269.08118	3.8
271.09607	1.2
275.07117	6.0
276.07797	7.0
277.08496	5.2
278.05780	2.4
278.09305	1.3
279.07013	1.9
279.10144	13.5
280.10974	2.4
281.08041	3.8
282.08820	2.5
289.08432	1.8
290.09421	4.2
291.06879	1.3
291.10117	14.0
292.07373	7.5
292.10220	1.6
293.08148	9.5
295.05945	1.5
295.09470	1.9
296.10452	2.0
299.09076	1.5
304.07449	1.6
305.08005	3.4
305.11578	2.4
306.08929	2.0
307.06219	1.7
307.09650	14.4
308.10434	4.9
309.07816	1.5
309.11261	1.8
310.08331	2.4
311.12833	4.1
315.08685	10.4
319.09753	7.8
321.07538	3.9
321.10938	1.9
322.08432	2.6
322.11945	2.3
323.05780	1.2
323.09213	1.5
323.12808	9.7
325.10733	2.2
328.09207	1.4
330.11014	14.3
331.11804	3.0
335.09109	1.6
336.09897	3.6
337.10751	5.8
339.12329	14.3
343.11685	3.8
350.11298	2.6
351.12305	15.9
352.12866	1.4
353.10199	9.4
356.12527	3.8
368.12558	13.4
371.14777	6.5
383.14893	100.0
384.15210	2.5
401.16119	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	401.1597
Annotation	Gomisin R
Peak:m/z	Relative Intensity
51.02378	1.6
53.03948	2.2
56.98002	1.3
70.06602	1.7
70.13395	1.4
71.03072	3.1
72.08150	6.9
78.04753	2.0
79.05498	12.5
81.07078	2.3
85.02939	1.6
86.09707	3.8
91.05477	4.9
95.04958	2.3
105.06996	1.7
107.04964	25.8
115.05430	2.8
116.06244	1.9
117.06977	2.6
122.03664	1.5
123.04473	2.5
123.08102	2.6
124.05236	3.5
125.05917	1.5
128.06203	2.7
129.06990	5.1
131.04866	1.8
131.08559	5.6
134.32928	1.6
137.05965	1.8
141.07018	2.6
144.05722	6.0
145.06500	3.2
147.04396	1.6
152.04680	2.7
153.05527	2.1
156.05708	8.1
157.06448	4.2
158.07204	2.5
159.08081	10.3
159.09200	1.8
160.07492	1.6
161.06070	2.5
167.07039	68.6
169.06435	1.6
170.07286	1.6
173.05981	2.8
174.06804	2.7
179.07005	2.8
181.06631	1.7
184.05228	1.7
186.06770	3.7
187.07512	6.2
190.07854	2.6
191.06987	1.9
191.08574	3.4
192.09261	1.9
195.06520	2.3
198.06868	1.6
201.09200	2.4
202.07745	4.2
203.08615	3.1
205.08606	14.6
207.06546	4.0
208.05202	17.1
208.08855	1.5
211.07477	2.4
212.68123	1.6
215.08675	2.8
217.08580	16.0
218.07259	5.0
219.08061	15.0
219.10190	4.2
220.08911	3.9
221.06021	6.6
221.09564	2.2
224.04642	2.6
225.05489	2.2
229.08609	6.7
231.08037	9.0
232.08978	2.6
233.06038	2.4
233.09621	6.7
235.07574	4.0
236.04643	6.2
236.08292	5.7
237.09035	2.1
238.06290	2.5
239.06979	2.7
240.04218	3.0
245.09610	3.5
246.06703	2.9
247.07521	16.5
247.09740	11.0
248.08247	11.6
249.05458	1.9
249.09067	3.6
251.10687	2.8
253.36105	1.5
254.05818	10.0
255.06453	2.1
257.04544	2.5
259.07535	4.5
260.08310	2.0
261.09055	6.2
262.09927	5.2
263.07028	5.4
263.10620	9.9
264.07770	10.4
265.08600	8.2
266.05453	2.4
267.06491	8.9
269.08060	22.2
271.09763	5.1
272.06891	2.9
273.09018	2.3
275.07053	6.5
276.07712	8.7
277.08551	4.0
278.05820	1.8
279.10208	10.4
281.08087	2.3
282.05310	4.3
282.08856	16.2
283.06049	1.9
285.07663	2.5
287.08975	2.5
289.08597	2.5
290.09378	4.0
291.06903	2.8
291.10117	17.2
292.07285	5.3
292.10544	1.9
293.07977	10.9
294.08902	2.2
296.10507	1.7
299.09186	1.5
301.07129	2.5
303.06421	1.4
305.08017	2.4
306.08560	2.2
307.09644	16.1
308.10382	6.4
309.07800	2.3
310.08466	8.7
311.12787	2.4
315.08612	70.6
316.09286	2.6
319.09836	8.6
320.10583	1.6
321.07544	4.2
321.10941	2.8
322.08368	2.5
323.09229	2.8
323.12769	11.7
324.10056	1.7
328.09338	6.6
330.10968	87.7
331.11594	9.2
336.09875	6.1
337.10721	9.0
339.12369	12.3
341.10114	2.0
343.11780	20.4
350.11374	2.9
351.12283	29.0
352.12930	3.7
353.10205	8.9
356.12448	5.3
368.12503	10.8
369.13309	3.2
371.14905	5.9
383.14883	100.0
401.15851	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	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.4
55.05510	8.3
57.07056	4.8
67.05499	18.9
69.03411	3.8
69.07056	14.5
69.51392	4.7
69.51796	15.3
71.04980	12.7
74.00708	3.0
77.03899	2.9
79.05500	23.3
80.28362	3.1
81.07058	34.5
83.08611	6.6
87.75483	3.0
91.05482	41.5
93.07045	62.8
95.04965	10.7
95.08616	22.3
97.02895	4.0
97.06544	3.2
98.20777	4.7
99.04459	3.8
105.07030	99.7
107.08597	42.4
109.06522	52.9
109.10148	14.2
111.08047	3.6
115.05442	6.7
117.07034	23.2
118.07857	3.1
119.06067	3.6
119.08583	84.8
121.10152	18.1
123.11676	4.4
128.06233	16.4
129.07030	24.6
130.07785	11.4
131.08568	73.6
133.10133	94.6
135.08095	16.3
135.11670	22.4
137.09637	9.1
141.06996	13.4
142.07797	27.8
143.08574	45.6
144.09337	9.1
145.10117	100.0
147.08034	5.1
147.11684	19.8
149.09650	5.9
153.07043	4.9
154.07719	4.6
155.08591	16.6
156.09384	22.4
157.10127	62.9
158.10924	14.2
159.11691	39.6
161.09549	4.1
161.13220	3.9
165.07008	6.5
167.08620	8.5
168.09302	7.8
169.10155	26.2
170.10852	8.7
171.11694	36.1
172.12415	5.1
173.13266	45.5
174.10338	3.5
175.13553	3.7
175.14801	20.3
179.08588	12.6
180.09338	7.5
181.10129	13.5
182.10948	8.6
183.11725	23.3
184.12453	6.9
185.13214	19.7
187.11131	3.6
187.14819	43.1
189.12712	5.6
193.10170	12.5
194.10881	10.2
195.11696	23.6
196.12505	5.5
197.09714	4.1
197.13243	17.5
199.14799	29.6
201.12773	9.2
201.16406	4.3
206.10909	12.3
207.11737	11.9
208.12454	6.5
209.13242	35.9
211.14818	16.7
213.12726	7.0
219.11725	5.8
220.12442	4.4
221.13260	21.9
222.13948	5.0
223.14815	9.3
231.11790	5.4
233.13316	4.3
234.14165	3.4
235.14894	8.2
237.16348	9.8
245.13210	4.7
246.13857	4.2
247.14906	5.5
249.16411	5.1
251.17981	5.2
261.16458	3.4
263.17999	6.9
265.19498	9.6
275.18021	5.2
287.17703	3.3
339.34793	4.6
343.24246	5.3
378.97659	3.3
401.13351	4.9
401.17987	7.3
401.28229	33.2
401.38193	8.6
424.25031	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01862	1.1
57.03425	1.2
61.02906	0.8
61.70422	0.3
65.03950	0.4
68.99781	0.6
69.03081	0.5
69.03434	6.7
71.05018	0.4
71.35120	0.5
73.02906	1.4
79.59675	0.3
81.03419	7.0
82.85836	0.3
85.02441	0.6
85.02913	8.8
87.00831	4.2
91.03957	0.4
91.05486	14.1
97.02900	3.7
99.04438	2.3
103.03964	0.4
105.01854	1.6
109.02889	5.8
109.06512	1.0
117.01852	0.7
119.04950	8.9
120.08106	1.0
122.06022	0.4
127.03918	7.3
128.63553	0.3
129.01834	0.6
136.06215	0.3
137.05983	100.0
138.06271	1.0
145.04984	1.6
147.02878	0.4
154.08638	20.9
159.02933	2.4
166.08659	0.5
179.07098	0.6
187.06030	1.1
231.05104	0.5
245.04956	0.5
246.05386	0.4
304.12183	0.3
316.13937	3.1
340.13943	0.5
358.15057	1.0
384.12949	0.9
398.79828	0.4
402.13986	24.7
429.56992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	29.9
55.05732	5.5
57.03428	28.0
60.38203	5.8
61.76500	5.5
63.79395	5.9
67.05508	92.5
69.03418	11.3
69.07062	42.5
69.77222	35.6
71.04984	15.6
79.05502	73.0
80.82381	6.7
81.03397	15.6
81.07057	99.2
83.04996	17.2
83.08604	20.5
85.56721	6.2
89.82439	6.6
91.05486	59.2
93.07042	95.8
95.04957	18.3
95.08611	44.7
97.06528	28.1
97.10159	11.6
99.08108	8.1
105.07031	56.6
105.15121	7.5
107.04944	11.5
107.08603	43.7
109.06506	13.9
109.10168	16.3
117.07030	18.0
119.08587	31.6
121.06511	9.1
121.10150	21.1
121.66372	5.3
131.08589	26.6
133.10118	24.9
135.11707	31.1
139.11188	6.7
143.08578	8.2
145.10124	18.5
147.11678	18.9
149.09540	7.9
149.13264	25.0
159.11710	25.3
161.13284	9.6
173.13181	8.9
177.12778	11.7
181.12102	7.3
190.45378	6.1
195.13829	16.4
227.12823	11.9
239.18091	8.5
247.20628	6.5
255.15953	54.0
257.19067	15.0
269.17487	100.0
275.20016	51.8
349.23663	49.4
367.24756	7.2
372.50528	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.8
53.08465	3.9
53.18460	3.6
55.01867	15.8
55.05508	27.7
57.03434	10.3
57.07077	7.3
60.04514	17.1
67.05194	5.3
67.05513	82.2
67.79901	4.7
69.03415	4.5
69.07081	25.4
70.06595	6.5
70.65319	7.4
70.65685	9.9
71.05005	7.3
71.08632	4.5
79.05501	33.3
81.03413	11.1
81.07060	75.4
83.04965	16.6
83.08617	14.3
85.06521	10.7
87.04462	6.6
91.05475	53.0
93.07040	41.5
94.61154	4.6
95.04993	26.2
95.08624	42.3
97.02882	7.3
97.06506	10.3
97.10180	9.5
105.07046	48.6
107.04955	14.2
107.08596	51.8
109.06498	11.0
109.10165	68.2
111.08099	7.5
113.06010	4.4
117.06992	9.7
119.08600	20.5
121.06547	5.6
121.10140	18.1
123.08058	9.9
123.11702	18.3
125.09607	9.4
131.08545	15.7
133.10136	77.4
135.11682	8.5
137.09602	14.0
145.10124	8.3
146.08124	11.6
147.11694	8.6
149.09613	11.2
151.11191	35.9
159.11543	4.1
161.09612	4.5
161.13235	5.2
163.11182	15.6
169.12196	10.0
173.13217	4.1
177.12700	5.0
205.07108	8.3
247.20566	9.6
253.14384	71.8
257.18958	10.2
271.15350	18.3
275.20084	83.9
282.28073	6.9
285.16937	24.0
293.21124	37.0
300.28998	5.9
304.05862	4.9
349.23685	25.5
367.24847	100.0
385.25797	9.8
402.31650	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	402.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
55.24177	0.2
56.05019	0.3
57.07080	6.2
58.06603	1.7
59.80765	0.2
65.87418	0.2
68.05011	0.5
69.07035	0.4
69.18738	2.1
70.06597	13.9
71.08633	2.8
72.08134	0.6
77.99946	0.2
86.09690	0.5
88.07636	19.5
96.47685	0.2
96.57937	0.2
102.09185	12.1
114.76196	0.2
132.10205	0.7
146.11703	0.6
150.11243	0.5
153.17450	0.2
205.07089	0.4
207.05089	0.2
219.18179	0.3
248.30589	0.2
267.58194	0.2
296.33112	0.8
314.34131	0.5
326.19269	0.2
340.35757	40.4
341.36145	0.8
384.38287	2.6
402.39432	100.0
403.39828	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01855	6.6
55.05524	8.2
57.03429	4.8
61.02921	6.2
68.99783	15.6
69.03425	14.8
69.07064	5.1
69.52886	22.6
70.06606	26.8
72.08166	100.0
79.05489	5.8
81.03413	9.9
81.07052	4.1
84.08134	8.1
85.02448	4.3
85.02921	58.6
85.06429	4.0
86.09712	99.9
87.00846	20.0
88.04014	5.0
91.05469	11.6
92.45824	3.9
93.07037	7.4
95.08566	3.7
97.02887	12.1
98.20764	7.1
103.03944	10.9
103.05459	7.1
105.07032	25.4
107.04914	3.7
109.02877	4.4
109.06503	5.8
111.04441	5.7
111.93117	4.1
115.05415	13.2
116.07113	7.8
117.07051	7.0
119.04939	13.0
119.08624	5.5
121.06538	8.7
123.04430	12.7
127.03904	15.8
128.06194	7.4
129.01819	16.6
129.07040	26.0
129.10310	3.9
131.04976	7.6
132.10239	6.1
133.06528	22.1
137.06012	34.4
139.00209	5.0
139.05400	4.2
143.04947	9.9
143.11815	14.2
145.04948	10.8
145.06404	8.3
147.02887	4.6
147.04399	31.9
147.08049	5.0
149.05956	15.4
151.07564	60.6
153.06981	8.7
155.07024	3.9
157.06508	22.4
157.09697	10.0
161.05986	51.5
163.03851	8.5
165.05493	48.8
167.07033	6.4
171.02925	6.7
171.08093	8.2
171.11284	6.9
173.05957	11.9
174.06717	5.1
175.03905	9.6
175.07573	33.1
175.11960	9.7
177.05457	7.4
179.07059	71.9
181.06409	8.7
185.05925	12.0
185.07976	4.0
187.07526	10.0
189.03960	21.3
189.05446	6.5
189.09157	5.0
191.06920	9.2
199.07561	17.8
201.12325	7.7
203.07082	65.6
207.06609	18.3
217.08615	15.6
221.08084	40.8
222.73734	4.9
223.54840	3.9
225.07468	8.1
227.07059	11.2
233.08131	8.3
241.14433	5.5
245.08115	61.0
245.64154	4.2
247.12930	13.0
263.09174	59.4
270.18134	5.4
272.12411	5.9
304.14929	4.5
335.45218	4.0
349.09235	24.8
357.42892	4.3
403.10422	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	403.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69504	0.4
55.05510	0.7
59.05009	0.7
65.03928	0.5
67.05481	0.4
69.03436	0.8
69.07043	0.5
69.74432	0.5
70.06581	0.5
70.97671	0.7
70.98005	0.6
72.08143	0.6
73.02917	0.5
76.56558	0.4
79.05492	1.3
81.03423	0.5
81.07047	0.5
85.02895	1.8
85.06536	0.6
86.09710	1.4
90.20699	0.4
91.05486	1.5
93.07028	0.7
95.04951	0.7
95.08598	1.0
98.97594	0.9
105.07031	1.2
107.04939	1.3
107.08565	0.6
109.02882	0.4
109.10146	1.2
111.08170	0.4
119.04922	0.8
119.08540	1.1
121.06458	0.5
121.10084	0.5
123.08064	0.9
127.03904	0.8
129.01866	0.7
133.10201	0.6
135.04437	1.3
137.05949	0.5
137.09608	1.5
147.04379	0.6
147.11673	1.9
149.05972	0.5
152.17035	0.4
155.10706	3.3
159.11688	0.8
163.03937	1.7
167.07137	0.7
179.06952	0.7
180.07874	0.6
181.05042	0.5
189.88924	0.4
191.03360	0.5
193.12276	1.6
205.12352	0.5
223.06075	6.2
223.13298	0.6
227.04044	0.5
259.11472	1.4
267.65582	0.4
286.07132	0.6
293.08954	0.7
319.12399	0.7
341.15784	4.7
343.13452	1.2
353.07614	0.7
385.14767	0.5
403.15759	100.0
404.15958	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1965
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
53.88440	2.6
55.01872	4.8
55.05510	6.4
57.07069	4.0
57.40736	2.9
60.05662	3.4
67.05499	3.8
69.03420	12.2
69.07049	6.7
70.06590	12.4
72.07755	4.5
72.08160	62.9
79.05511	4.2
81.03417	7.8
81.07066	5.0
81.26214	2.5
83.04984	6.7
83.08586	2.8
84.08123	3.8
85.02906	24.2
85.06535	3.1
86.09712	49.0
87.00825	6.5
91.05489	16.2
93.07049	58.8
95.04967	7.0
95.08643	3.4
97.02878	5.2
97.06545	4.7
98.97585	2.9
105.07059	7.6
107.08635	3.0
109.06526	2.8
111.08079	6.0
116.07087	8.9
119.04943	7.8
119.08580	9.0
119.22577	2.8
121.06512	100.0
121.07399	5.6
121.10106	3.3
123.04462	3.8
127.03928	5.8
127.07552	8.7
129.01831	11.6
129.07024	5.8
129.10246	7.0
132.10229	3.7
133.06497	5.0
133.10152	4.6
135.08063	4.2
137.05984	6.3
137.09639	5.2
139.07552	5.7
143.08440	3.1
143.11786	7.4
145.10109	3.9
145.75105	3.2
147.04428	11.2
147.07990	4.7
148.04788	3.8
149.09605	3.9
150.72997	2.9
151.07552	8.0
151.11116	4.6
153.09010	3.1
157.06551	3.0
157.09830	4.9
159.11745	14.4
161.05992	9.4
163.03882	4.3
163.11186	5.6
163.28011	2.5
165.05501	9.7
167.07068	3.5
171.11343	6.2
173.05783	3.2
174.31781	3.0
175.07620	4.5
175.11913	4.5
177.05481	3.6
179.07080	15.6
179.10681	12.3
185.05869	3.0
185.08200	3.0
187.11115	7.7
189.03944	5.0
189.12404	4.6
199.07539	4.3
201.12416	4.9
203.07042	13.3
205.08510	2.9
205.12247	53.6
207.06499	13.2
215.10165	3.2
221.08076	7.7
222.28578	3.0
223.13312	27.7
225.07468	6.1
227.07121	4.4
233.11346	5.4
241.14355	7.3
245.08168	9.6
247.12888	5.0
263.09158	11.7
270.14670	4.2
270.17932	3.4
272.12589	5.3
304.15302	2.9
336.56189	2.9
385.14929	3.2
403.10583	3.6
403.15704	4.9
404.22733	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	403.2479
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
51.07232	2.1
53.03938	3.8
55.01880	11.6
55.05512	67.3
57.03430	10.1
57.07063	2.8
59.04999	2.6
61.20809	1.7
65.03926	2.4
67.05508	47.0
69.03431	7.3
69.07067	17.7
71.03611	4.5
71.04961	2.2
79.05496	41.6
81.07059	34.7
83.04971	6.5
83.08163	2.3
83.08625	31.1
85.06529	4.5
91.05489	28.0
93.07053	17.0
95.04964	7.6
95.08608	11.5
97.06548	2.0
97.10177	59.1
103.05466	13.6
105.07029	16.3
107.04945	5.0
107.08601	27.3
109.06520	7.0
109.10170	13.9
111.08086	3.6
113.06007	4.7
115.05463	5.5
117.07015	25.4
119.08586	9.7
121.06464	2.1
121.10153	3.2
123.08101	2.9
125.09637	50.2
128.06198	3.8
129.01845	4.2
129.07008	23.0
131.04927	8.9
131.08569	22.5
133.06496	7.2
133.10153	3.4
135.08060	11.5
141.06967	6.8
143.04988	2.7
143.08540	12.7
143.10649	2.6
145.06491	12.5
145.10120	11.0
147.08098	3.5
147.11630	2.4
149.09593	4.7
153.09108	5.6
155.08556	8.0
157.06496	3.9
157.10097	4.4
159.08022	9.3
159.11688	5.9
161.06065	2.5
161.09624	2.2
167.08588	3.8
169.10089	5.2
171.10239	4.2
171.11691	4.7
173.11749	3.4
181.10309	2.3
182.82088	1.9
183.11746	3.7
185.13257	6.0
187.11063	3.0
187.14827	14.7
189.11221	50.2
189.12920	3.4
195.11787	3.8
197.13261	10.3
201.12773	6.6
203.14360	17.8
209.13274	2.2
211.14958	2.4
213.12766	9.1
215.14320	100.0
223.11223	4.8
233.15349	10.8
241.12198	12.3
251.14253	2.4
257.15466	2.0
259.13199	9.7
269.15475	2.5
274.89935	2.2
339.23196	5.4
349.21582	17.4
357.24200	3.4
365.20761	2.2
367.22699	69.6
373.09360	4.2
385.23734	87.0
396.58136	2.2
400.99158	2.2
403.13931	3.7
403.24918	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2482
Annotation	Macrolactin F
Peak:m/z	Relative Intensity
53.03892	2.1
53.86485	0.7
54.93268	0.7
55.01816	5.4
55.05455	26.1
55.15705	0.7
57.03383	2.2
58.70575	0.7
59.04967	0.9
63.69873	0.6
65.03899	0.9
67.05443	19.7
69.03435	3.6
69.07066	6.9
71.04926	2.3
71.52547	1.3
77.03837	0.6
77.06464	0.6
79.05496	25.4
79.32662	0.6
81.03424	4.3
81.07056	20.3
83.04984	4.1
83.08621	13.1
85.02842	1.2
85.06506	1.5
87.04406	1.0
91.05486	14.5
93.07043	14.1
95.04984	7.7
95.08616	9.4
97.06528	6.1
97.10174	20.6
103.05439	1.2
103.55063	0.7
105.03350	0.9
105.04491	0.8
105.07038	12.1
107.04974	9.1
107.08599	16.4
109.02834	1.3
109.06518	4.3
109.10161	6.8
111.04420	0.9
111.08000	2.9
113.05972	1.4
115.05434	3.3
117.07013	9.2
119.04911	1.5
119.08588	8.1
121.06512	7.4
121.10145	4.0
123.04392	1.5
123.08083	3.4
125.05918	1.8
125.09643	15.0
128.06129	1.8
129.01775	1.9
129.07016	8.9
131.04918	5.4
131.08589	9.2
133.06500	5.4
133.10109	4.9
135.08061	5.2
135.11591	1.2
137.05919	1.3
137.09558	1.0
141.06926	2.7
143.08556	6.2
144.05727	1.0
145.05464	1.3
145.06488	18.3
145.10144	4.8
147.04332	3.2
147.08083	4.9
147.11697	6.9
149.09573	2.2
153.06877	0.9
153.09006	3.0
153.12669	3.2
154.07652	0.9
155.08591	4.7
157.06500	4.5
157.10115	4.1
159.08093	5.8
159.11618	2.2
161.05914	2.1
161.09586	2.5
163.11108	2.4
165.12679	1.5
167.08511	2.4
169.06433	2.1
169.10048	3.2
171.08044	4.4
171.10234	0.7
171.11632	3.4
173.09604	2.3
175.11121	2.6
177.12692	1.5
179.08472	1.3
181.10045	2.3
183.08025	2.3
183.11641	2.0
185.09557	2.6
185.13179	2.1
187.11185	1.8
187.14697	1.6
189.11150	6.8
189.12737	1.3
193.10292	1.3
193.12234	8.2
195.07993	2.2
195.11668	3.2
197.09537	2.6
197.13289	3.6
198.10226	0.7
199.11108	2.7
205.12160	2.0
209.09494	1.0
209.13219	2.0
211.11118	2.6
211.13266	3.4
213.12671	2.6
213.16420	0.7
215.14339	4.3
217.12157	1.6
221.13350	0.9
223.11143	2.0
223.13321	2.0
225.12680	2.8
227.14311	3.1
231.13664	1.7
233.15331	6.3
235.11015	1.2
237.12711	3.6
239.14281	1.7
241.14259	4.7
243.13791	1.0
245.15359	0.9
249.14909	1.1
253.15944	1.0
255.13774	7.0
257.15326	2.2
259.13232	3.7
261.14740	1.1
273.14874	18.0
281.15356	1.6
283.16922	1.0
287.16568	1.4
292.47821	0.7
299.16364	1.3
321.22162	1.8
325.17834	0.8
331.20557	2.6
339.23212	6.6
349.21625	24.5
357.24426	4.6
357.76474	0.8
367.22699	66.8
368.22955	2.0
372.17938	0.8
385.23740	100.0
386.24036	1.9
403.24817	49.4
404.25491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01873	1.6
57.03426	3.1
57.05299	0.8
61.09191	1.0
67.05496	1.3
69.03426	5.8
69.42833	3.7
69.43251	2.6
70.06589	1.9
71.04990	1.6
73.02908	1.2
75.04482	3.0
79.05509	1.5
81.03422	4.6
81.07060	1.7
85.02909	18.8
86.09695	1.9
87.00839	6.9
91.05485	100.0
93.07050	1.1
95.01340	2.3
95.08595	2.7
97.02901	5.9
98.06030	1.1
98.20834	2.0
99.04446	1.4
103.03914	1.2
105.01875	8.4
105.02550	1.0
105.02776	1.2
105.03385	9.5
105.07041	1.5
107.04961	1.8
107.08604	1.7
108.05263	0.9
109.02880	4.8
113.02395	1.5
117.06998	1.2
119.08572	1.3
121.06518	5.1
121.10155	1.4
123.08092	6.9
127.03940	10.4
135.11719	0.9
137.05981	8.6
137.09586	1.7
141.01830	7.2
145.04988	3.0
145.06506	1.2
145.10170	1.4
149.09610	3.2
159.02914	2.8
163.03882	1.2
163.07533	2.2
163.11209	1.6
179.06982	2.9
181.04895	1.0
181.12257	1.1
187.07506	1.9
188.12900	1.9
189.04001	1.9
189.12712	2.6
191.14377	1.6
193.08618	56.1
197.08051	2.1
205.08572	1.4
207.13762	6.5
211.09657	26.7
224.06418	1.0
225.14859	2.1
229.08574	3.2
231.04980	3.2
333.09988	1.1
369.11841	2.4
404.16208	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.9
57.03424	0.7
61.02925	0.8
61.71196	0.5
65.03941	0.7
69.03420	2.1
70.06572	1.5
71.51254	0.7
71.51624	0.8
74.06052	0.7
77.03931	0.6
81.03434	1.8
84.08155	0.7
85.02902	7.6
86.09703	1.2
89.03938	0.6
91.05483	14.3
97.02907	1.8
109.02850	1.4
118.04128	1.3
119.04949	23.7
127.03936	1.2
128.73668	0.7
132.02089	0.6
135.04437	0.5
145.04990	1.5
146.03629	0.5
147.03238	1.1
147.04408	21.1
149.02295	1.2
150.91568	0.6
157.03970	3.1
163.04033	0.9
163.05945	0.7
164.04713	1.6
164.07167	0.6
175.03915	43.5
179.07042	1.3
180.08649	1.6
191.84042	0.5
192.04187	11.9
193.12430	0.6
207.06537	100.0
208.06854	0.7
225.07581	44.1
273.85229	0.6
362.11691	0.7
379.97800	0.7
404.12650	1.4
404.22717	1.2
405.16895	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92447	5.0
55.01878	6.8
55.05503	17.6
56.96552	7.4
57.03435	17.8
67.05511	61.4
67.33887	5.3
69.07063	19.6
69.21434	52.7
75.52676	5.2
79.05499	34.3
81.07055	61.5
83.04963	12.5
83.08609	15.3
85.02892	6.0
91.05490	28.4
93.07041	37.0
95.04964	6.5
95.08603	28.5
97.06541	13.2
97.10191	10.4
99.54971	5.7
105.07051	17.9
107.08605	26.9
109.10141	21.0
117.06991	6.2
119.08550	15.9
121.10129	10.6
125.09699	11.6
129.06995	6.1
131.08601	10.6
133.10162	12.2
135.11668	7.3
149.13240	18.0
159.11757	9.0
173.11674	7.2
177.12737	7.3
195.13763	15.7
215.68840	6.9
227.12918	9.5
229.14290	32.4
269.17477	100.0
277.21619	9.7
345.13571	8.2
351.25323	11.6
381.15912	6.4
386.24136	10.4
404.25021	8.1
405.22314	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.2
55.05514	19.8
57.03445	18.4
57.07064	3.8
58.90532	2.6
64.87621	2.8
65.03954	3.0
67.05507	62.0
69.07076	19.8
70.91332	6.4
71.08630	21.8
77.16493	2.8
79.05492	34.7
81.03415	4.8
81.07059	56.6
83.04994	15.3
83.08620	13.4
85.06549	5.1
86.14279	2.6
91.05482	25.4
93.07049	49.2
95.04964	9.6
95.08607	28.3
95.76802	2.9
97.06525	11.8
97.10163	6.3
99.08092	22.5
101.75213	3.0
105.07055	17.3
107.08591	22.9
109.06516	5.0
109.10187	12.8
111.08056	3.4
117.06999	10.0
119.08558	8.8
121.06486	3.6
121.10149	9.9
123.08010	4.5
125.09653	6.3
129.06990	4.0
131.08582	8.8
133.10117	8.8
135.11664	9.2
139.11110	3.5
145.10132	7.7
145.79713	3.2
147.11685	3.8
149.13268	18.6
151.11234	18.6
157.10085	3.3
159.11716	21.2
161.13263	5.2
163.11189	7.6
173.11784	8.2
174.48854	3.3
177.12738	16.2
179.14330	11.4
189.11221	5.6
190.59843	3.0
195.13861	9.4
227.12683	4.5
229.14395	9.8
231.21243	3.5
241.19481	6.6
245.13875	4.8
253.18178	4.8
259.20581	7.0
269.17502	100.0
277.21701	20.4
337.57373	3.9
351.25342	33.9
358.61755	3.4
361.19144	3.2
369.26465	4.3
404.25568	4.7
404.32010	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	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27159	2.8
55.01861	3.2
55.05515	24.6
57.03447	15.3
57.07070	5.6
67.05511	57.8
69.03421	2.9
69.07073	20.2
70.45317	9.5
71.04987	4.4
71.08629	14.9
79.05502	39.9
81.03441	4.3
81.07059	69.9
83.04993	12.3
83.08630	15.3
85.06551	3.5
88.16078	2.7
91.05480	24.6
93.07050	54.6
95.04974	12.7
95.08603	21.7
97.06538	11.1
97.10187	11.8
99.08102	16.5
105.07064	19.8
107.08616	27.2
109.06545	5.1
109.10168	10.5
111.08093	6.1
117.07031	8.2
119.08574	10.2
121.10162	10.5
123.11714	4.2
125.09617	5.7
129.06996	5.3
131.08577	9.9
133.10121	12.8
135.11708	9.5
139.11189	7.4
145.10149	5.3
147.11707	6.1
149.13260	21.4
151.11162	14.7
159.11739	16.7
161.13304	12.1
163.11163	4.2
173.11806	6.4
175.14743	3.1
177.12727	19.8
179.14317	11.1
189.11278	5.7
195.13785	11.1
227.12717	15.1
229.14333	5.8
241.19771	3.0
259.20572	10.7
269.17496	100.0
277.21582	15.1
351.25348	37.9
368.23227	3.7
386.24216	6.7
404.25208	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	404.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16450	3.5
55.05519	17.5
56.96558	11.0
57.03425	11.5
57.07079	4.5
67.05508	51.0
69.07073	16.3
70.58144	3.1
71.04971	3.7
71.08621	5.4
71.53108	6.2
73.21615	3.4
79.05494	30.8
81.03358	4.0
81.07056	65.1
83.04987	9.7
83.08630	15.4
85.02934	3.4
85.06513	6.4
87.39271	3.8
91.05490	26.0
93.07046	48.5
93.07585	6.1
95.04964	11.2
95.08607	26.2
97.05923	3.2
97.06528	13.5
97.10183	3.2
98.54928	3.3
98.97579	78.2
99.08083	9.7
105.07024	12.1
107.08602	23.2
109.06526	6.0
109.10186	5.7
111.08086	7.9
116.98621	48.6
117.06973	4.9
119.08559	14.8
121.10136	6.8
122.03656	4.1
123.11681	4.0
125.09653	3.6
131.08562	6.7
133.10118	9.8
134.99628	13.6
135.07971	3.5
135.11697	9.5
137.05981	39.9
139.11186	5.6
139.68819	3.5
140.00201	8.4
145.10179	4.8
147.11641	6.7
149.13249	21.9
151.11189	9.5
159.11736	20.6
161.13258	8.5
163.11264	4.4
175.22771	3.4
177.12721	18.6
179.14262	5.6
193.04976	4.5
195.13828	9.5
226.11238	19.7
227.12848	4.7
229.14204	4.2
235.02802	57.3
241.19658	3.7
244.12245	7.9
253.03833	69.4
258.24066	3.4
259.20636	4.3
268.12366	4.4
269.17499	100.0
276.05426	15.3
277.21542	9.5
344.15353	7.4
351.25305	18.6
369.26041	4.5
404.17480	76.1
404.24942	7.2
405.17410	5.9
405.22415	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31621	5.6
55.05511	45.7
57.03431	6.0
57.07072	5.3
67.05521	32.3
69.03417	15.7
69.07078	100.0
70.06577	5.5
71.04989	14.7
71.53196	9.3
79.05493	24.5
81.07061	72.9
81.54205	5.5
83.04963	9.2
83.08614	9.6
91.05476	24.1
93.07053	83.7
94.99622	5.3
95.04958	15.5
95.08611	63.7
97.06541	25.9
97.10181	64.9
105.07063	27.7
107.08603	48.8
109.06497	11.6
109.10162	46.6
111.11705	27.8
117.07008	13.3
119.08596	34.4
121.10161	82.6
123.08062	7.9
123.11691	32.1
125.09619	9.9
131.08568	9.8
132.77589	5.7
133.10107	23.9
135.08049	7.9
135.11703	59.6
137.09653	13.3
139.11191	69.3
145.10088	18.1
147.11664	7.6
149.09607	13.9
149.13229	9.3
151.11192	12.6
153.12733	9.2
155.10696	6.8
157.10129	10.2
157.12251	19.4
159.11688	17.9
161.09648	13.8
161.13203	11.0
163.11212	10.2
167.10611	8.9
171.13788	25.9
177.12758	10.8
217.14407	8.5
254.34181	6.8
273.22189	13.7
275.20068	13.2
289.21478	11.0
291.23175	23.1
301.21616	36.5
305.24762	8.7
307.22672	55.2
319.22672	39.0
333.24139	15.8
337.23596	12.7
351.25293	13.6
404.20706	10.2
405.09946	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	405.1164
Annotation	Apuleirin
Peak:m/z	Relative Intensity
55.72866	2.6
56.96565	7.0
69.03427	4.4
70.06588	8.1
71.04983	3.8
71.51569	4.5
71.51949	2.6
72.08111	2.4
76.62154	2.0
79.05527	2.6
80.13805	2.1
81.03417	4.1
81.07048	3.7
84.08118	2.6
85.02908	10.6
86.06100	3.1
86.09713	7.3
91.05492	8.2
92.05792	3.3
97.02887	5.7
98.06063	4.8
98.97583	24.0
99.04459	6.6
105.07024	6.0
107.08611	3.9
109.02883	4.6
110.97581	8.1
112.99152	3.6
116.98611	6.7
119.05013	2.9
119.08553	3.4
120.05281	4.9
120.08148	3.2
123.08100	2.6
123.50816	2.7
127.03918	14.3
128.98610	3.2
129.47678	2.7
141.06575	4.5
143.00121	3.4
147.04422	5.6
148.04807	3.8
149.09694	3.1
152.98590	3.9
158.99644	6.8
161.13293	3.0
170.99709	3.1
175.03911	7.3
176.04202	12.0
177.00716	3.5
178.24406	2.5
193.04556	3.0
207.06650	17.0
208.06837	26.5
219.01817	6.6
225.07530	7.0
226.08006	11.9
237.02832	8.0
259.11215	6.2
261.06607	4.4
279.07498	36.7
297.08679	5.3
321.08548	20.3
345.08676	5.0
355.09488	3.4
363.09586	7.1
388.23169	5.0
405.11609	100.0
405.16965	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	405.1164
Annotation	Apuleirin
Peak:m/z	Relative Intensity
55.05501	2.4
56.96550	3.2
60.67176	1.9
60.87989	1.9
62.87003	1.7
69.03426	4.4
69.20813	20.4
70.06587	6.4
72.08155	3.0
79.05519	2.0
81.03386	3.9
81.07047	2.9
83.04971	2.3
84.04516	2.5
84.08133	1.9
84.96013	3.2
85.02924	9.8
86.09708	5.1
91.05466	3.0
92.05836	2.8
92.35677	2.1
97.02888	4.7
98.06084	2.3
98.97585	25.1
99.04462	10.0
105.07072	3.7
109.02867	5.6
110.97562	7.3
111.05526	2.6
116.98606	8.1
119.04932	4.0
119.08595	3.3
120.05318	4.4
127.03941	19.3
131.00133	2.4
133.51106	1.9
137.05960	3.0
142.97450	1.9
143.00128	2.9
145.04974	3.3
146.99686	2.6
147.04420	3.7
148.04762	4.6
151.03899	2.5
158.99660	5.5
161.13409	3.3
170.99611	3.3
175.03868	5.9
176.04265	10.0
177.00731	5.2
184.89204	2.0
207.06554	16.5
208.06906	24.7
219.01807	7.3
225.07571	5.9
226.07816	11.4
237.02808	8.3
259.10974	2.7
261.06522	6.0
279.07556	33.8
297.08694	3.8
299.10211	2.2
303.07126	2.9
304.94797	2.6
321.08624	23.5
331.09070	3.9
345.08493	7.0
355.09167	3.4
363.09729	10.8
405.11572	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.7
67.05500	1.1
68.65600	0.7
69.07069	1.2
70.06609	1.1
71.52052	1.0
71.52413	0.8
72.81699	0.7
79.05506	0.9
81.03382	1.3
81.07052	1.3
86.09705	1.3
93.07071	0.8
95.08649	1.0
95.33076	0.8
97.06547	3.1
100.60156	0.7
105.07021	2.0
108.04477	0.9
108.08128	1.9
109.02902	0.8
121.10124	1.0
127.03900	0.8
131.08626	1.0
161.10707	1.3
172.07536	1.6
183.09261	1.3
184.07599	1.3
185.10791	1.0
189.10281	3.8
197.07098	8.4
197.10748	1.3
198.09286	1.5
199.08633	3.6
202.08679	1.0
211.08646	14.1
212.09409	1.8
213.10263	2.5
225.06589	13.0
225.10170	9.8
226.07063	1.5
226.08942	1.2
227.08145	3.4
227.11847	2.6
228.10179	1.8
229.09789	1.7
234.92520	0.8
235.08710	2.2
238.07051	0.9
239.04427	3.3
239.08174	28.9
240.08926	3.0
241.09692	1.2
243.07660	2.5
245.04884	1.0
245.12865	32.7
253.06107	1.8
253.09752	19.9
255.07684	2.5
255.11371	3.5
257.05551	2.4
257.09225	10.4
263.08258	1.5
265.09741	1.3
267.07660	19.1
268.08176	1.6
269.09073	1.4
271.10760	11.8
273.08609	1.0
275.10278	1.0
281.09198	19.9
283.10779	2.9
285.08762	4.9
285.12033	0.9
289.11905	6.2
293.09320	2.0
295.07108	1.9
297.08832	1.2
299.06964	2.2
299.10257	34.4
301.11844	2.9
303.09570	0.9
309.03738	1.4
309.08710	33.8
311.10202	3.5
313.08115	2.9
317.07983	1.0
317.11328	3.6
327.09763	59.9
328.10095	1.4
329.11325	6.0
331.09299	2.2
337.08145	2.6
345.10828	100.0
346.11307	1.1
355.09283	9.9
369.10608	1.1
373.10306	73.0
374.10825	1.0
377.13531	1.2
383.10309	1.0
387.11874	7.3
387.21899	1.0
405.13174	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	405.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.5
55.28191	0.8
55.61930	0.8
69.37447	6.0
90.17363	0.8
108.08105	1.2
119.60075	0.7
123.08096	5.0
124.08401	4.3
189.10225	1.2
197.07100	9.8
198.09305	1.5
199.08643	2.3
204.02913	1.0
210.07751	1.3
211.05229	0.9
211.08702	12.6
212.09442	1.7
213.10213	2.5
223.08559	1.1
225.06607	19.7
225.10086	7.6
226.07152	1.6
226.15121	0.9
227.08189	1.9
227.11739	2.0
228.10146	1.2
229.09665	1.6
235.08524	1.2
238.07086	1.0
239.04636	4.8
239.08173	28.9
240.08899	2.1
241.09709	1.4
243.07632	2.0
245.12875	21.0
249.18669	0.9
253.06139	2.5
253.09729	18.3
254.10538	1.1
255.07701	3.5
255.11292	3.3
257.05536	2.2
257.09189	6.3
263.08258	1.0
265.09915	0.9
267.07639	17.5
268.08203	1.3
269.09009	1.2
271.10834	8.6
273.08673	1.4
275.10205	1.3
281.05997	1.1
281.09189	20.2
283.10803	2.1
285.08789	4.4
289.11893	5.1
293.09204	3.1
295.07391	1.3
297.08734	2.3
299.06870	1.6
299.10233	26.9
299.13516	1.9
301.11813	1.9
309.08731	28.1
311.10352	5.2
312.34677	0.9
313.07932	1.0
317.11340	2.2
327.09756	54.5
328.09915	1.1
329.11243	8.1
337.08249	2.7
345.10828	80.5
355.09271	11.1
369.11084	1.3
373.10309	100.0
374.10342	1.9
387.11896	6.5
405.12921	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	405.1369
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
70.06601	0.9
71.02244	0.7
71.02579	1.3
72.08141	2.1
81.03414	0.8
83.05032	0.6
85.02904	1.9
86.09698	1.5
91.05470	1.3
92.05824	0.6
99.05545	0.9
105.07011	1.5
119.08590	0.8
120.05294	1.1
127.03919	2.2
131.08572	1.7
132.08116	0.9
157.04959	1.1
159.11610	1.3
161.13271	0.8
175.03934	1.0
176.04257	1.2
192.04118	0.7
207.06555	2.1
208.06816	4.4
220.45125	0.7
226.07971	1.5
261.09409	4.8
263.65311	0.8
343.13638	11.5
345.11551	5.5
361.14835	1.2
387.12265	1.0
405.13672	100.0
406.14008	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	405.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05508	7.3
57.03438	5.6
57.07078	3.8
59.10515	0.5
67.05513	4.1
69.07069	9.1
70.77567	1.0
70.77908	0.6
71.08618	1.3
79.05502	2.6
81.07051	4.1
83.08626	7.0
83.11307	0.5
85.06557	0.7
85.10188	0.9
93.07051	2.5
95.08593	3.0
97.06512	1.1
97.10178	5.0
98.98464	0.9
104.48896	0.5
107.08611	1.6
109.10172	1.3
111.08135	1.3
111.11702	1.6
113.00018	95.8
115.85831	0.5
121.10170	3.7
123.11689	1.0
131.01073	0.7
135.11703	1.6
137.13312	0.9
139.01546	0.8
149.13306	0.9
155.00897	0.6
169.02612	100.0
169.26329	0.7
219.21107	1.7
227.20009	0.8
236.18994	0.5
237.22121	7.5
405.29642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	6.1
55.01867	4.4
55.05515	41.4
56.43647	2.9
57.03426	3.7
57.07048	3.6
59.05004	2.7
65.03950	6.9
67.05508	72.5
69.07076	36.0
69.44980	2.5
69.61516	18.1
70.25702	2.4
71.04965	7.5
72.02473	2.4
79.05497	64.3
81.07061	69.3
83.04976	4.4
83.08624	37.8
85.06544	6.8
91.04924	5.6
91.05485	89.9
91.39656	2.5
93.07048	64.9
95.04951	7.3
95.08610	50.1
97.06523	11.8
97.10171	10.6
99.08048	3.0
103.05426	3.7
105.07038	65.4
107.04962	8.3
107.08593	22.7
109.06525	6.5
109.10152	13.0
111.08083	10.4
115.05463	7.3
117.07029	64.7
119.04926	3.5
119.08588	30.5
121.06495	9.7
121.10164	19.1
123.08068	7.2
125.09608	7.7
127.07536	2.8
128.06221	16.2
129.07014	67.2
130.07800	3.4
131.08582	100.0
133.06538	5.1
133.10153	20.1
135.11684	7.4
137.09523	3.3
139.11174	7.8
139.40614	2.6
141.06989	17.7
142.07837	4.3
143.08575	51.5
145.06500	7.7
145.10139	32.5
147.08063	7.1
147.11722	4.5
149.09627	11.7
151.11229	5.5
154.07759	3.9
155.08553	39.2
157.06548	4.0
157.10118	31.1
159.08104	8.0
159.11717	12.8
161.09589	3.9
161.13228	6.4
163.11212	5.2
165.06966	3.7
166.07831	3.2
167.08601	16.5
169.10184	19.4
169.18330	3.1
171.08008	4.8
171.11679	17.3
173.09599	4.7
173.13274	5.4
175.09703	7.4
175.11128	3.3
175.14912	2.9
177.12708	4.6
179.08562	9.4
181.10135	19.2
183.11702	8.3
185.13257	10.3
187.11226	8.2
187.14755	3.1
193.10103	6.6
195.11748	18.8
195.13350	3.6
197.13252	6.7
199.14919	3.5
201.12743	3.4
203.12741	4.5
205.12291	3.4
207.11699	6.8
209.13278	11.8
211.14798	6.3
213.12827	6.7
213.16325	7.0
219.13695	3.9
221.13225	11.8
221.15288	4.2
223.14819	20.9
227.14404	3.5
233.13358	5.2
233.15285	15.5
235.14922	5.5
237.16475	3.9
239.14330	12.6
241.15741	5.6
243.66199	2.8
245.15382	5.9
247.17093	3.4
249.16435	4.3
251.14462	3.1
253.15915	7.4
257.15408	9.3
259.17007	9.4
271.16861	8.9
296.08383	3.1
305.22528	3.7
315.20886	4.6
323.23663	8.4
333.22034	24.6
341.24826	16.2
351.23190	55.7
359.25775	3.0
369.24249	44.4
377.26654	3.8
387.25296	50.5
401.54556	3.0
405.12317	3.5
405.26324	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	16.2
56.05022	3.3
56.08241	2.1
57.07093	2.5
59.05006	2.5
60.82416	2.4
67.05492	6.7
69.03421	7.2
69.07052	4.0
70.06593	3.3
71.04996	2.7
71.06306	6.0
71.33344	2.0
79.05484	7.7
81.03424	7.2
81.07059	16.7
83.04984	16.0
83.08613	10.8
84.04491	5.1
85.02893	9.8
86.06078	12.8
87.04483	11.8
91.05476	7.7
93.07021	12.3
95.04957	9.2
95.08596	10.3
97.06530	12.5
97.10149	2.8
98.06049	14.1
101.77609	2.0
102.45850	2.2
104.07101	10.7
105.07027	12.9
107.08596	14.1
109.06517	17.2
109.10152	16.2
111.08080	6.0
112.07570	3.4
115.07562	3.3
119.08563	8.9
121.10162	13.9
123.08074	4.6
123.11714	4.7
125.09711	2.8
131.08575	10.3
133.10150	27.9
135.11678	3.4
147.11684	13.2
149.09673	12.6
149.13260	6.4
151.11177	16.9
153.09125	4.4
158.10905	2.7
165.12747	4.4
167.14343	21.3
173.13255	17.6
175.14816	10.0
191.14331	22.2
193.12282	8.2
206.15372	2.8
209.15376	100.0
210.14841	3.8
215.06319	2.3
224.16447	2.8
227.16354	11.1
236.71938	2.4
252.15967	6.2
267.15915	6.5
278.17572	2.8
285.16956	3.5
344.20660	6.1
362.21753	5.3
370.22156	6.7
388.23291	60.8
408.79306	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	406.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.07080	5.3
58.06604	2.4
67.05485	0.6
68.05002	0.5
69.07054	0.6
69.57491	2.0
70.06597	17.8
71.08635	1.9
72.08165	2.7
83.08593	0.3
84.08151	3.4
85.10165	0.7
86.09706	4.6
87.04459	0.3
88.07629	2.4
89.06026	1.6
102.09170	0.3
105.06986	0.3
114.09197	2.2
129.09187	0.3
132.10216	6.7
146.11763	7.9
147.15623	0.3
176.12846	1.7
190.14357	1.4
212.23726	2.8
238.25349	2.2
240.26840	0.4
256.26398	1.5
300.28992	36.4
301.29352	0.8
344.31601	17.2
398.08795	0.3
406.35294	100.0
407.35672	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01870	2.9
55.05516	13.9
57.03427	4.5
57.07078	16.5
59.05010	3.4
67.05501	3.6
69.03425	18.7
69.07067	1.9
69.84704	2.6
69.85111	5.2
70.06591	3.8
70.19134	1.7
70.22629	1.5
71.04983	6.2
72.08155	3.2
73.02909	1.7
73.73576	1.5
79.05477	1.9
81.03421	20.9
81.07053	4.5
82.02929	1.4
83.04985	3.2
83.08621	26.5
85.02908	52.0
86.09714	3.9
87.04471	3.5
91.05479	2.5
93.07059	2.3
95.05002	3.2
95.08565	1.5
97.02896	27.2
97.06499	2.2
98.06087	2.5
99.04457	30.3
101.09654	2.8
103.03947	34.3
105.07023	3.3
107.08592	2.7
109.02885	29.6
111.04385	1.8
111.08075	2.3
115.03942	1.9
119.08618	2.3
120.08155	2.0
121.02825	1.7
125.09662	2.3
126.31930	1.4
127.03922	100.0
130.05032	1.6
135.08086	1.9
137.09637	1.7
145.04970	24.7
145.10159	1.9
150.57779	1.6
163.06027	6.6
187.06015	28.0
199.10730	2.2
205.07097	6.5
210.15718	2.3
211.13371	2.5
215.03284	1.4
227.08191	2.7
230.06680	1.8
241.09848	3.1
244.09541	1.7
245.10260	3.6
253.07112	3.4
255.07675	5.5
269.13956	2.1
271.08182	19.2
287.14914	2.9
289.09171	29.6
297.08655	3.3
305.15817	1.5
307.10266	9.0
315.09705	8.3
357.10965	3.0
375.11920	22.0
389.13184	1.7
389.23807	8.9
407.13818	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	407.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.1
57.28308	1.7
63.25042	2.4
65.75224	1.9
66.89922	2.3
68.77207	2.0
69.03423	6.5
69.07062	2.4
71.30997	4.3
71.39532	1.7
72.08150	1.7
74.02032	1.8
75.95057	1.9
79.05454	1.9
81.07068	5.4
82.31273	2.1
83.04972	4.8
84.47107	1.9
85.02898	13.0
85.06562	3.4
86.09697	3.3
91.05460	3.3
93.07032	8.4
95.08617	7.5
96.04524	2.0
97.02879	4.3
98.97591	2.0
99.08083	3.4
105.07051	10.9
107.08607	13.8
109.10152	3.7
111.08097	3.4
119.08585	100.0
121.10126	15.1
123.08025	2.6
127.03960	3.4
131.08545	7.2
133.10117	15.7
135.11662	3.5
137.09601	2.4
142.06474	3.7
145.04932	3.1
147.11699	3.9
149.13293	2.6
151.11188	4.0
158.97357	2.6
159.11635	3.1
161.13269	50.5
163.14835	5.0
165.12779	3.0
173.13222	6.0
179.14294	13.8
191.14314	11.3
209.15343	36.4
215.16333	3.1
227.16461	12.1
237.74324	2.1
245.17540	25.6
316.66299	2.2
407.09473	2.5
407.14285	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	407.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30989	1.1
55.05490	1.2
59.69644	0.9
62.97528	0.9
65.44433	0.9
67.05487	2.6
69.07059	1.7
71.53215	1.4
79.05479	3.5
81.07046	1.4
83.08595	1.3
87.57291	0.9
91.05475	2.2
91.31316	1.0
93.07039	2.0
95.04963	1.8
97.06528	1.7
103.17245	1.0
105.07005	2.5
107.04934	2.2
109.06486	1.2
119.08604	1.6
119.49756	1.2
131.08563	1.3
135.02365	0.9
135.08047	1.5
149.02321	1.2
158.67926	1.0
172.06642	1.2
193.04996	1.2
206.05692	1.3
247.17160	1.1
252.34695	1.2
292.64664	2.3
320.67596	1.5
335.00476	1.1
407.23981	100.0
408.23956	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	407.2415
Annotation	Wikstroemioidin B
Peak:m/z	Relative Intensity
55.05502	4.0
57.22918	1.2
67.05494	4.2
69.07068	2.1
71.52412	0.9
76.95207	0.9
79.05482	3.5
81.07044	4.0
83.04978	1.9
83.08611	1.6
84.79346	1.1
91.05477	3.2
93.07047	4.4
95.04982	2.1
95.08607	3.6
96.88100	1.1
97.06522	1.7
105.07023	5.4
107.08630	6.3
109.10187	2.0
109.81593	1.1
118.83546	1.0
119.08578	4.2
121.10140	3.7
123.08058	2.3
123.11724	1.4
131.08601	1.3
133.10141	4.2
135.11646	2.7
145.10126	2.2
149.09610	1.8
149.13246	1.4
156.90079	1.1
157.10071	1.5
159.11694	2.2
167.10754	1.3
169.10161	1.4
173.09631	1.1
173.13229	1.6
175.14815	1.8
177.12666	1.7
183.11690	1.2
197.13216	1.4
203.14395	1.7
215.14322	1.7
229.07509	2.2
243.17564	2.1
257.22504	1.1
267.21085	2.9
285.22104	22.1
301.29248	1.2
303.23251	1.9
353.24210	1.3
389.23096	1.9
399.70645	1.1
407.24078	100.0
407.35620	3.0
408.24258	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	407.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	44.4
57.07081	74.3
67.05508	17.9
69.07074	100.0
69.26412	40.5
69.26833	21.2
71.08635	48.0
79.05482	25.1
81.07064	69.7
83.08608	64.6
85.10167	35.7
89.06013	12.5
91.05473	11.2
93.07053	21.8
95.08625	57.6
95.09141	12.2
97.10197	34.9
98.13169	6.9
99.04438	10.5
105.07014	21.4
107.08575	30.1
109.06519	31.7
109.10136	44.2
111.04453	38.2
111.11662	9.4
119.08574	16.6
121.10130	31.3
123.08057	20.6
123.11808	14.3
125.05996	61.8
133.08614	12.2
133.10136	18.5
135.11673	12.7
137.05972	97.6
137.09607	14.2
137.13271	15.4
139.07494	10.3
141.05499	10.8
149.09544	7.4
149.13260	9.0
151.07570	26.1
153.09169	8.2
157.70314	8.6
161.09601	12.0
163.11102	10.8
163.14830	10.0
165.09116	26.0
177.12703	11.7
179.10646	29.7
179.14297	9.6
181.12260	21.8
193.12257	32.2
195.12262	12.4
195.13840	12.6
197.11714	14.0
207.13808	30.6
207.17575	8.6
221.15358	26.8
235.16931	38.9
237.18474	8.1
249.18437	33.4
251.20146	11.3
253.17940	13.9
263.20081	31.5
267.19629	19.6
277.21658	21.7
281.21036	12.5
291.23175	19.2
295.22644	12.0
305.24777	21.2
309.24295	11.1
333.27753	17.6
337.27579	18.6
351.29037	7.7
371.32977	8.9
389.34183	89.1
407.35092	69.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0479
Annotation	Unknow
Peak:m/z	Relative Intensity
69.61640	2.5
80.66187	0.4
98.20757	0.5
101.00900	3.0
119.01921	4.7
134.99883	0.6
136.43585	0.4
137.03000	0.4
140.98738	0.5
158.99905	1.9
165.99670	0.5
175.25346	0.4
176.69258	0.4
177.00957	12.4
178.01018	0.4
182.99893	0.6
195.02084	0.4
201.00987	2.8
217.03952	2.6
219.02014	21.0
220.02141	1.1
225.00816	2.2
234.99902	0.5
236.00134	0.4
243.02010	14.0
244.02159	0.5
258.99948	0.6
259.99979	1.0
261.03076	100.0
262.03278	3.7
263.03049	0.6
277.01236	0.4
282.99979	2.5
284.00238	1.4
284.04752	1.6
284.99744	0.5
295.80392	0.5
301.01123	2.1
302.01215	1.3
315.62943	0.4
367.02106	2.5
385.03186	21.7
386.03275	1.2
403.04248	20.0
404.04379	1.3
408.04852	0.9
426.01181	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01852	5.8
55.05503	20.5
57.07066	9.0
58.43652	4.5
67.05510	35.6
69.03426	17.8
69.07051	19.1
71.53014	9.1
78.04723	26.9
79.05499	35.3
80.06287	10.5
81.03397	8.9
81.07065	58.7
82.04208	21.8
83.04980	19.6
83.08617	12.7
91.05492	81.5
93.07051	67.1
95.04972	67.1
95.08612	38.0
97.06519	17.9
97.10189	8.0
102.09837	5.9
103.05460	9.6
105.06398	8.5
105.07037	100.0
106.07812	9.8
107.04964	6.2
107.08615	69.9
108.05759	6.7
109.06523	29.7
109.10178	13.6
109.33729	5.1
111.08061	9.9
115.05469	20.9
117.07039	60.0
119.08590	53.7
120.09417	7.8
121.06499	41.4
121.10151	59.2
123.08098	7.6
123.11729	10.6
125.09660	23.7
128.06258	20.2
129.07057	37.8
130.07800	14.3
131.08585	61.2
132.09335	8.8
133.06514	12.4
133.10170	24.0
135.08049	22.3
139.11211	7.2
141.06975	9.8
142.07787	18.9
143.08592	45.6
144.09355	19.1
145.06502	46.3
145.10127	80.1
146.07324	6.9
147.08063	41.6
147.11722	14.3
149.09644	22.7
151.07538	6.3
155.08638	12.8
156.09380	16.3
157.10141	44.6
158.07339	7.5
159.08076	99.0
159.11690	32.0
160.08754	7.0
161.09639	21.0
163.11160	16.9
165.06975	9.4
167.08525	8.5
167.10669	69.5
168.09335	7.1
169.10132	23.3
171.08084	13.8
171.11717	18.8
172.08853	28.2
173.09601	25.4
173.13307	12.2
174.10457	9.2
175.11237	16.2
181.10127	18.7
183.11697	20.7
185.09668	23.9
185.13368	7.2
186.10393	6.9
187.09523	5.2
187.11209	21.9
189.12839	7.4
191.14322	7.3
192.09381	7.1
193.10210	12.5
194.10860	6.7
195.11710	16.1
196.08881	6.9
197.09618	9.7
197.13313	17.5
199.11296	7.3
201.12779	10.8
207.11539	8.1
208.12538	6.7
209.09554	6.4
209.13333	15.4
211.11292	11.6
213.12769	21.2
215.14296	14.9
218.16734	6.6
220.14592	27.7
223.11316	9.0
223.14839	11.1
225.12735	11.9
226.13167	6.3
227.14345	11.2
231.92155	5.5
233.13400	6.9
233.15398	42.6
235.11211	9.7
235.14801	8.0
237.12711	7.7
239.14258	10.1
246.16214	25.0
271.16971	8.1
273.18729	12.6
285.18503	73.2
286.19333	14.6
299.20056	15.7
300.20865	7.8
311.20132	9.0
328.20294	23.7
335.20090	11.3
351.23193	8.2
379.26068	7.2
408.26178	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57820	0.4
53.63161	0.4
67.05518	1.2
69.07047	0.4
71.52443	0.8
75.85887	0.4
78.73713	0.4
79.05491	1.1
81.07057	0.7
85.08475	0.5
93.07056	0.6
95.04957	0.6
95.08589	0.8
97.06540	1.4
105.07054	0.9
107.08630	0.5
109.10160	0.6
110.09660	0.4
117.07029	0.7
119.08571	0.8
119.28435	0.5
120.50296	0.5
123.04422	0.5
129.79332	0.5
133.10143	0.5
170.11816	1.0
183.08426	0.5
221.15564	0.6
295.15179	0.9
349.16827	0.8
409.25623	100.0
410.25922	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	409.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19564	0.3
67.05492	0.5
69.07068	0.5
69.68835	2.3
79.05482	0.4
88.02708	0.3
90.26485	0.3
95.08614	0.7
97.06552	0.8
98.20773	0.4
110.41599	0.3
117.90708	0.3
121.10059	0.3
123.04424	0.4
131.08554	0.4
133.10138	0.4
140.03864	0.4
146.00792	0.3
163.03905	0.5
194.65477	0.4
208.06873	0.5
228.23192	0.5
235.14619	0.4
282.95181	0.3
288.23013	0.4
293.89578	0.5
295.15109	1.1
309.16888	0.7
409.25641	100.0
410.26013	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.96563	1.1
67.05502	1.7
69.07041	0.8
69.63786	1.6
69.64189	3.3
72.20051	0.8
78.00105	0.8
79.05484	0.9
81.07049	1.2
91.05487	1.2
91.26126	0.8
93.07031	1.3
95.04978	1.2
95.08606	1.3
97.06534	3.3
103.97935	0.7
105.07040	1.2
107.08582	1.4
109.06528	0.8
109.10148	1.0
119.08571	1.2
135.11685	0.8
147.11665	0.8
160.73598	0.7
168.56480	0.7
189.00502	0.7
201.09142	0.8
208.97319	0.7
269.10672	1.2
274.51132	0.8
349.17007	1.6
367.17963	1.9
391.12030	0.9
402.33887	0.8
409.25626	100.0
410.25943	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
52.08633	1.9
53.03930	6.8
55.01873	4.5
55.05513	22.2
57.07063	7.8
57.56241	2.0
59.05008	3.2
59.25847	2.0
64.36915	2.5
65.03943	3.0
67.05503	23.9
69.03419	7.2
69.07056	8.8
69.16184	10.7
69.16605	12.0
79.05487	25.2
81.03417	2.9
81.07056	43.3
83.04970	9.3
83.08607	4.7
85.06548	3.6
91.05481	39.3
93.06490	3.3
93.07050	56.4
95.04974	52.7
95.08605	29.7
97.06519	12.2
98.98495	2.6
103.05456	6.1
105.07034	100.0
107.08597	27.1
109.06518	14.8
109.10141	10.5
111.08102	4.6
117.07014	14.5
119.04971	2.8
119.08587	62.4
121.06522	17.8
121.10153	23.3
123.08061	17.2
128.06247	4.0
129.06978	12.3
130.07797	4.6
131.08565	26.3
132.09271	2.6
133.10146	19.9
135.08083	14.7
135.11661	4.7
137.09583	6.4
141.06982	3.9
142.07779	14.2
143.08560	22.4
144.09338	5.9
145.06441	3.1
145.10139	47.7
146.10870	2.6
147.08038	15.5
147.11687	35.9
149.09579	8.2
151.07523	19.7
154.07715	3.4
155.01031	4.3
155.08517	9.6
156.09320	7.8
157.10149	32.5
157.11342	4.0
159.08069	5.6
159.11691	18.0
161.09596	11.1
161.13327	4.1
163.11182	6.2
165.06976	4.1
165.09103	27.3
168.09331	4.3
169.10129	17.4
170.10880	4.3
171.11723	11.2
173.09570	5.7
173.13271	8.0
175.11185	21.3
175.14825	2.8
177.09166	3.4
178.09863	3.1
179.08467	2.5
181.10117	6.0
181.12273	3.3
182.10857	2.5
183.11705	11.4
185.13271	4.8
187.11177	6.5
187.14818	3.4
189.12729	6.3
189.65205	2.1
192.09329	2.4
193.10144	3.8
195.11717	5.3
196.12445	2.8
197.13333	4.6
198.13899	2.5
199.11089	3.7
201.12744	7.3
201.16368	3.4
203.14268	12.1
207.13788	7.4
209.13368	4.6
209.15324	5.3
211.11349	3.2
211.14835	8.0
213.12764	4.2
215.14185	2.8
219.13716	3.5
220.12326	3.5
221.13170	3.7
221.15361	68.7
223.14665	3.9
225.16438	2.7
228.71527	3.0
229.16003	5.7
231.13773	5.0
233.15359	4.9
234.16212	14.7
235.14983	3.6
249.16248	2.6
253.15952	7.0
269.18915	2.9
281.18790	2.6
286.19186	2.8
287.20068	6.5
300.20892	3.5
311.19617	2.4
311.25842	2.8
323.61099	2.1
329.21048	7.9
391.26196	9.8
409.27463	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61905	1.8
53.03942	4.9
55.05518	16.6
57.07066	7.2
59.04984	2.3
65.03953	2.2
67.05511	18.1
69.03432	7.1
69.07062	7.8
70.91754	3.8
71.04998	2.7
79.05502	20.9
81.03423	2.9
81.07066	32.9
81.36277	1.9
83.04981	6.1
91.05482	33.8
93.07052	49.2
95.04981	46.1
95.08611	28.7
97.06540	7.7
98.98412	3.0
103.05489	3.8
105.07038	100.0
107.04948	2.4
107.08611	29.3
109.06539	11.6
109.10172	7.7
111.08074	2.7
112.29114	2.0
115.05478	2.4
116.06233	2.1
117.07026	14.5
119.08589	63.1
121.06501	18.0
121.10164	17.6
123.08069	17.0
125.09617	2.4
128.06235	6.0
129.06985	11.7
130.07809	4.9
131.08591	23.1
133.06523	4.5
133.10159	18.8
135.08064	16.0
135.11685	7.5
137.09692	11.1
141.06947	4.6
142.07790	13.5
143.08580	18.3
144.09346	4.1
145.06480	3.0
145.10133	43.0
147.08069	19.2
147.11700	40.2
149.09630	12.2
151.07559	21.6
153.09053	2.9
154.07782	2.5
155.08585	9.8
156.09349	7.4
157.10146	23.9
158.10918	4.2
159.08095	7.0
159.11720	12.5
161.09630	8.8
161.13277	4.9
163.11163	6.0
165.09120	29.9
167.08537	4.1
168.09361	5.6
169.10141	14.2
170.10905	2.7
171.11722	13.3
173.09679	5.4
173.13235	9.7
175.11194	26.3
177.09140	4.4
178.09912	2.2
180.09235	2.2
181.10153	7.3
181.12315	2.8
183.11667	11.3
185.13263	3.5
187.11205	6.2
187.14870	3.6
189.12770	9.0
191.14322	4.5
195.11667	5.6
196.12563	2.9
197.13278	4.6
199.14769	3.4
201.12755	7.4
203.14375	13.4
207.13818	8.7
209.13380	4.3
209.15227	3.9
211.11349	2.5
211.14836	5.8
215.14243	3.0
219.13785	5.0
219.15800	2.3
221.13367	3.4
221.15372	69.9
223.14964	3.3
225.16316	4.4
227.14371	3.1
229.15901	5.2
233.15341	2.7
234.16112	16.1
235.14716	2.4
247.17043	2.8
286.19281	5.7
287.20065	8.2
300.20715	5.5
323.82474	2.1
329.21143	6.5
391.26266	8.1
409.27377	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91042	3.1
54.75360	2.6
55.01881	3.4
55.05513	23.5
57.07077	7.9
60.43858	2.7
67.05504	24.6
69.03429	6.7
69.07079	9.2
70.97048	2.8
70.97388	4.7
71.04973	2.9
79.05496	25.7
81.07064	38.6
83.05005	3.9
83.08602	3.7
85.06540	7.1
91.05486	43.1
93.07046	47.9
95.04972	54.6
95.08611	28.4
97.06526	8.4
101.42448	3.1
105.07032	100.0
107.08595	28.6
109.06534	12.4
109.10152	13.0
115.05445	4.0
116.06257	3.8
117.07019	14.1
119.08587	63.4
121.06505	21.9
121.10139	24.5
123.08065	13.7
127.11791	3.5
128.06238	4.7
129.07016	12.6
130.07813	7.5
131.08592	26.7
132.09383	4.0
133.06534	6.6
133.10132	25.9
135.08055	13.3
135.11667	4.1
137.09639	7.7
142.07791	18.9
143.08595	18.5
144.09358	9.5
145.10123	45.2
147.08064	13.6
147.11693	48.5
149.09637	10.4
151.07568	20.1
151.40419	3.4
153.07156	3.9
153.12921	3.3
155.08588	7.8
156.09373	6.2
157.10127	30.5
159.11636	15.0
161.09642	7.5
163.11220	4.4
165.06970	3.2
165.09116	18.8
167.08551	4.4
168.09326	6.9
169.10130	14.6
171.11708	14.7
173.09619	7.5
173.13303	11.3
175.11215	33.7
179.08664	4.6
181.10162	5.2
181.12238	5.1
182.10864	5.0
183.11684	10.0
184.07347	5.2
185.09628	3.3
185.13239	10.3
187.14813	4.4
189.12787	6.5
193.10158	4.3
194.10898	7.6
195.11710	6.9
197.13297	9.6
199.11163	3.9
201.12749	5.3
203.14314	11.9
207.13818	6.2
209.13290	7.2
209.15164	3.2
211.11171	4.2
211.14905	7.5
219.13792	5.4
221.13315	5.2
221.15347	57.0
223.14818	3.8
229.16005	3.6
231.13861	4.7
234.16222	14.2
235.14792	4.7
253.15915	7.2
286.19128	4.2
287.20190	8.1
300.20856	6.4
309.10760	3.0
329.21527	4.6
391.26276	7.5
409.27496	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03948	5.2
55.01872	3.5
55.05518	17.2
57.07070	7.0
59.04993	3.7
60.32140	1.6
65.03938	2.1
67.05505	17.6
69.03421	7.1
69.07059	7.9
69.44202	8.6
69.44607	3.5
71.04996	2.5
77.03922	2.3
79.05505	20.2
81.07061	28.8
83.04958	4.5
83.08593	2.5
85.06548	2.1
91.05487	34.0
93.06483	3.3
93.07049	45.4
95.04971	46.1
95.08613	21.5
97.06551	8.2
103.05461	4.6
105.07035	100.0
107.08599	21.5
109.06514	13.3
109.10143	9.0
111.08075	2.3
115.05468	3.4
117.07031	13.9
119.04900	2.5
119.08586	64.0
121.06525	15.2
121.10136	15.8
122.07266	2.2
123.08078	16.0
128.06219	5.6
129.06978	8.9
130.07782	4.6
131.08575	21.2
132.09387	3.4
133.06505	4.3
133.10135	19.5
135.08098	13.6
135.11746	2.9
137.09666	11.0
141.06984	3.9
142.07803	16.1
143.08560	16.4
144.09396	3.1
145.06529	2.6
145.10143	38.1
146.10896	2.7
147.08054	15.1
147.11693	39.8
149.09648	10.9
151.07553	20.4
153.06990	1.8
154.07805	2.9
155.08536	6.9
156.09387	4.8
157.10139	23.2
159.08038	5.2
159.11702	13.8
160.08868	2.0
161.09586	10.4
161.13290	5.2
163.11160	4.7
165.09106	31.3
167.08571	2.5
168.09372	4.1
169.10129	11.9
170.11003	2.7
171.11647	8.8
173.09685	5.3
173.13295	6.2
175.11177	28.7
175.14850	2.8
177.09091	4.1
178.09935	2.0
179.08598	4.1
179.10657	1.9
181.10129	5.5
181.12279	2.9
181.72610	1.9
182.10938	3.1
183.11693	11.7
185.13248	4.3
187.11125	4.6
187.14836	3.4
189.12759	6.0
191.10674	3.0
191.14110	1.9
195.11600	3.7
196.12639	1.9
197.13318	4.8
199.11241	4.9
199.14839	2.3
200.11917	2.0
201.12753	11.2
203.14316	13.0
206.10947	2.3
207.11937	2.7
207.13826	8.6
208.14522	2.2
209.13264	6.3
209.15256	3.6
211.14754	3.8
213.12708	2.6
215.14334	2.0
216.15047	2.3
219.13846	3.3
221.15379	73.1
222.15807	3.1
223.14827	3.2
227.14423	2.3
229.15915	6.5
231.13936	2.2
233.15433	5.1
234.14073	3.4
234.16122	18.2
243.13910	3.4
251.14311	2.2
253.16054	4.1
271.16840	2.0
286.19278	2.2
287.20163	8.6
300.20657	3.5
307.20306	1.9
329.21167	7.4
391.26346	7.3
409.27396	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.5
53.04163	1.6
55.01871	2.5
55.05272	1.8
55.05516	22.5
57.03416	1.6
57.07062	6.3
59.05014	3.6
60.27132	1.3
65.03925	2.7
67.05515	18.5
69.03430	6.1
69.07070	8.9
69.48277	2.9
69.48676	9.4
77.03926	1.7
79.05508	19.9
81.03431	3.1
81.07066	35.2
83.04975	4.7
85.06559	2.5
91.05486	36.3
93.07054	50.1
95.04374	3.0
95.04976	51.9
95.08623	22.4
97.06532	9.9
97.10184	2.0
98.98513	1.9
103.05483	4.0
105.04532	2.6
105.07037	100.0
107.04984	2.5
107.08605	23.0
109.06529	12.8
109.10157	7.9
111.08086	2.1
115.05481	2.1
115.50811	1.3
116.06210	1.4
116.53623	1.5
117.07015	15.5
119.04852	1.8
119.08592	71.2
120.09370	1.7
121.06510	18.5
121.10154	15.0
123.08077	15.8
128.06198	5.6
129.07027	8.1
130.07787	5.8
131.08560	21.7
132.09308	2.3
133.06482	4.6
133.10139	19.2
135.08035	13.8
135.11717	3.9
137.09619	8.3
141.06989	3.6
142.07828	11.2
143.08556	18.0
144.09352	5.9
145.06473	2.1
145.10127	37.9
146.07318	1.6
146.10918	2.2
147.08080	16.9
147.11700	46.8
149.09630	11.5
151.07547	16.9
155.01054	2.6
155.08591	6.7
156.09344	4.7
157.10147	24.1
159.08078	5.3
159.11707	14.4
161.09616	7.3
161.13300	4.2
163.11208	3.8
165.09119	27.2
165.12816	2.6
167.08569	4.1
168.09381	5.2
169.10188	10.1
170.10918	2.9
171.11723	7.2
173.09605	6.8
173.13280	7.7
175.11203	36.9
175.14793	1.8
177.09071	4.2
178.09863	2.4
179.08553	2.0
181.10170	5.4
181.12157	1.5
182.10889	2.3
183.11676	13.3
185.09645	3.2
185.13246	4.5
187.11130	3.1
187.14899	3.3
189.12788	5.0
191.14296	3.4
193.10246	2.1
195.11757	4.2
196.12480	2.6
197.13263	5.4
199.11177	4.6
199.14818	3.2
201.12753	9.5
201.16380	4.2
203.14340	11.9
206.10811	1.7
207.11961	2.1
207.13815	7.2
209.13269	3.8
209.15369	4.6
211.11259	1.9
211.14801	7.6
213.12778	2.6
215.14317	3.5
216.15012	2.0
219.13817	3.6
221.15387	83.0
222.14055	1.7
225.16277	2.5
227.14404	2.0
229.15919	4.9
231.13908	2.2
233.13255	1.9
233.15448	3.5
234.16132	17.7
235.14824	2.8
241.16121	1.6
247.17120	2.2
253.15913	4.1
265.15289	1.6
286.19272	3.1
287.19992	9.3
300.20920	6.1
311.25784	3.1
329.20941	6.9
373.25241	2.5
390.57553	1.4
391.26361	7.0
405.82028	1.6
409.27383	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	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.7
54.37841	1.8
55.01869	4.0
55.05520	19.6
57.07062	8.2
57.07310	1.7
59.05001	2.2
65.03932	2.8
67.05241	1.8
67.05513	22.3
69.03413	7.0
69.07070	9.9
70.11618	7.8
71.05009	2.5
73.71439	1.7
79.05497	25.0
81.03412	2.2
81.06606	2.5
81.07064	35.7
83.04964	6.7
83.08592	4.1
85.06536	4.2
91.05485	40.0
93.06493	3.3
93.07053	58.6
95.04379	3.3
95.04977	56.0
95.08615	32.3
97.06543	15.6
98.98395	2.2
103.05463	3.7
105.07041	100.0
107.08597	31.8
108.05737	1.8
109.06511	14.3
109.10161	27.2
111.08088	2.6
115.05462	2.6
115.63413	1.8
116.06212	2.4
117.07020	16.1
119.04911	2.3
119.08588	68.1
121.06502	20.4
121.10158	19.4
122.07253	2.5
123.08089	21.5
125.09593	2.3
128.06235	4.3
129.06969	9.8
130.07787	7.8
131.08577	25.3
133.06494	6.4
133.10132	23.4
135.08064	15.0
135.11685	6.9
137.09589	8.7
141.07014	5.5
142.07770	15.1
143.08548	24.6
144.09354	6.9
145.06509	3.1
145.09055	3.4
145.10130	41.0
147.08067	17.0
147.11693	34.9
149.09647	11.3
151.07541	26.0
153.07065	2.6
153.09082	2.9
154.07791	2.7
155.01024	2.5
155.08569	8.8
155.10823	2.7
156.09363	8.5
157.10144	27.0
158.10777	2.4
159.08076	7.8
159.11707	18.2
161.09668	12.2
161.13255	6.5
163.11153	5.0
165.09132	30.9
167.08611	4.7
168.09470	4.7
169.10158	16.1
170.10910	2.4
170.76523	2.1
171.11710	13.1
173.09662	5.5
173.13254	8.5
175.11171	22.5
175.14764	2.3
177.09088	2.8
179.08527	2.2
181.10129	6.7
181.12274	5.2
182.10889	3.0
183.11705	15.7
185.09529	2.1
185.13293	8.2
187.11186	6.8
187.14755	4.6
189.12718	8.8
191.14293	3.7
193.10146	4.1
194.10957	3.0
195.11702	5.6
196.12440	3.2
197.13228	6.1
199.11211	5.5
201.12753	12.7
203.14359	13.5
207.11853	3.9
207.13795	11.5
209.13283	6.7
209.15347	4.9
211.14810	7.6
213.12744	3.6
215.14291	4.4
216.15039	2.4
219.13705	4.5
220.12532	2.3
221.13475	3.7
221.15373	77.5
223.14810	3.3
225.16385	3.0
227.14290	4.0
227.17914	2.2
229.15897	6.6
233.13274	3.1
234.16098	13.6
239.14424	3.3
241.16107	2.1
253.15865	2.3
286.19427	2.7
287.20056	7.3
299.19958	2.8
300.20746	5.7
313.21832	2.4
317.21381	2.9
329.21057	7.3
335.19992	3.3
373.25610	2.1
387.48141	2.1
391.26147	11.2
409.27374	76.5
410.27634	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81030	1.7
53.03951	3.5
55.05513	13.3
57.07080	3.3
65.03918	1.9
67.05505	30.1
69.07070	21.1
71.04996	23.2
71.08667	2.3
71.24345	2.9
74.07291	1.6
74.71114	1.7
79.05080	1.9
79.05500	22.8
81.07060	77.2
83.08629	9.3
85.06508	2.9
88.92272	1.8
91.05473	19.5
93.06484	4.1
93.07047	65.7
95.04962	2.3
95.08607	83.6
97.06524	2.5
97.10188	10.2
105.07034	42.4
107.08600	65.0
109.06506	5.4
109.10157	46.6
111.08095	16.0
111.11719	4.2
113.09627	4.6
117.07025	5.0
119.08588	47.4
121.10151	56.1
123.08063	3.0
123.11713	28.0
131.08556	16.7
133.10133	33.2
135.11696	33.6
137.09624	5.5
137.13264	8.8
143.08562	5.6
144.09344	2.3
145.10117	26.7
147.11693	31.2
149.13263	59.0
151.11162	3.1
151.14832	3.0
157.10181	8.4
159.11699	37.9
161.13254	33.3
163.14789	16.7
169.09927	2.3
171.11707	6.6
173.13278	19.7
175.14845	18.3
177.16405	7.7
183.11787	2.6
185.13243	6.8
187.14835	15.1
189.16422	19.0
191.17894	14.6
197.13232	3.7
199.14745	10.0
201.16399	16.1
203.17906	15.7
213.16472	9.1
215.17931	12.7
217.19510	22.9
227.17902	5.0
229.19542	7.0
231.21086	7.8
241.19525	4.8
243.21072	4.5
253.19438	3.2
255.21049	7.8
257.22635	7.7
259.24237	8.4
267.21136	2.7
269.22717	3.7
281.22559	3.9
283.24319	5.0
295.24219	4.0
297.25757	3.3
315.41861	2.0
325.28873	5.6
351.30380	10.4
353.28458	3.8
391.33652	17.7
409.34668	100.0
410.34882	2.8
420.37280	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	410.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.7
55.01873	1.5
55.05505	1.6
57.03432	3.2
61.02925	3.1
67.05508	2.9
69.03428	10.5
69.07068	8.5
71.04990	2.7
71.52439	1.2
73.02920	2.8
74.06118	1.1
79.05499	2.4
81.03414	14.0
81.07077	2.5
83.04980	0.9
85.02905	74.7
87.04490	1.5
91.05486	3.6
93.07024	1.5
95.04969	1.5
97.02896	21.7
97.06563	1.6
98.04683	0.9
99.04455	40.3
103.03941	95.1
105.07054	1.9
107.04940	1.1
109.02881	17.3
109.06474	1.8
110.70161	0.9
115.03960	1.3
115.92262	1.0
117.07011	1.0
119.08577	1.5
120.08165	1.2
121.10108	1.0
127.03915	100.0
127.11211	2.3
131.08539	1.0
135.08028	1.5
140.13914	1.0
145.04965	62.2
147.07962	1.2
149.09616	2.0
153.09117	1.0
160.09558	1.7
163.06017	71.9
167.09547	0.9
169.04947	1.2
171.06412	1.0
177.09111	4.3
187.06061	4.4
195.10185	4.5
205.07085	3.8
211.13377	1.6
213.11191	2.1
255.12248	2.7
271.08130	9.2
289.09174	10.6
307.10236	27.1
379.75974	1.0
410.25540	2.7
411.19931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56940	0.9
55.05499	1.5
55.12098	1.0
57.07090	6.1
58.06599	1.2
65.03924	1.7
67.05492	1.4
69.07074	1.8
69.61622	5.0
70.06258	1.5
70.06599	16.8
71.08612	2.8
79.05486	1.2
81.07052	1.6
82.68789	0.9
84.08125	1.4
85.02885	1.1
88.07643	21.9
93.07034	1.2
95.04964	0.9
95.08644	1.1
97.06531	2.7
98.20695	1.0
102.09193	14.5
121.02896	1.0
139.03931	1.2
149.02362	53.1
149.03470	4.3
152.97664	0.8
156.17619	1.0
163.03912	1.3
183.27191	0.8
193.04974	58.3
200.20105	52.6
208.53232	1.0
237.07597	69.6
238.11826	0.8
244.22743	2.0
267.09106	1.5
281.24802	0.9
282.95996	0.9
285.10159	1.8
324.11713	1.7
331.52078	1.1
410.25366	100.0
411.25595	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	411.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.7
55.05499	1.1
57.03428	4.1
58.55949	1.2
61.02924	1.8
67.05502	2.6
69.03436	20.4
69.07060	2.2
69.16606	3.1
69.17014	11.1
70.06609	2.5
71.05002	5.9
79.05504	6.0
81.03424	31.6
81.07011	2.1
83.04990	1.8
83.08595	1.7
84.08139	1.4
85.02910	49.4
86.09704	9.2
91.05485	2.5
93.07061	1.8
95.04967	2.8
95.08609	2.5
97.02894	5.5
99.04459	26.9
103.03954	44.6
103.05457	2.2
105.07038	42.9
105.21005	1.2
107.08588	1.6
109.02888	23.8
109.06508	2.0
118.12739	1.1
119.08579	1.8
120.08007	1.4
121.10176	1.5
123.08064	4.9
127.03930	100.0
130.93831	1.6
132.10202	1.4
133.06441	1.7
135.04428	1.7
135.08070	1.8
136.07504	1.3
137.09605	1.4
143.08527	1.5
145.04987	10.7
145.10158	1.3
159.67635	1.2
187.06036	7.4
213.08978	1.8
231.10153	2.0
253.07085	3.3
271.08102	3.4
349.16608	1.5
411.15833	3.0
411.24274	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	411.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66753	1.5
53.03941	3.7
55.05517	3.2
57.03437	3.3
61.02912	2.0
67.05492	3.5
69.03446	11.0
69.07076	8.1
69.55147	3.4
69.55547	9.3
70.06596	3.0
71.04984	3.9
73.02934	3.6
79.05477	2.1
81.03427	16.3
85.02915	72.7
86.09705	3.7
87.00819	2.7
87.08114	2.7
89.03966	1.7
91.05471	2.9
93.07027	3.0
95.04952	1.8
95.08622	2.2
97.02895	18.8
98.97664	1.5
99.04468	37.9
103.03953	91.4
105.07030	2.4
105.09159	2.0
107.05023	1.7
109.02370	1.3
109.02907	15.3
109.10158	2.8
113.03391	1.5
114.82536	1.8
115.03934	2.2
117.03490	2.3
119.08546	1.7
123.07955	1.6
127.03928	100.0
127.11182	2.8
135.04385	2.1
135.11687	1.9
136.07530	1.8
145.04977	50.7
145.06201	3.1
147.09215	8.3
151.03876	2.8
156.28210	1.5
162.05540	15.3
163.03902	6.3
163.06000	55.3
187.06052	4.9
191.08096	9.1
204.42505	1.8
205.07082	4.6
209.14313	1.4
213.14893	2.5
271.08115	5.6
281.14978	6.2
289.09143	2.4
307.10233	5.2
325.14014	12.4
342.89981	1.8
393.13086	2.2
394.12683	1.7
411.12369	10.7
411.20087	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	411.362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.7
57.07061	7.5
67.05523	33.8
69.06766	4.9
69.07069	47.5
69.75478	21.3
71.08628	4.9
72.55908	5.9
73.06006	5.6
79.05489	17.3
81.07063	100.0
83.08607	15.7
86.23495	4.8
91.05472	18.6
93.07053	24.5
95.08614	89.1
97.10150	8.9
105.07049	30.9
107.08604	44.9
109.10159	84.4
119.08589	32.8
121.10133	29.1
122.74496	4.5
123.11711	89.9
125.13245	4.8
129.06953	5.7
131.08549	14.3
133.10118	19.2
135.11699	19.3
137.13274	12.9
143.08629	5.0
145.10124	23.9
147.11676	18.5
149.13251	13.8
157.10130	10.5
159.11679	18.7
161.13235	12.2
163.14819	6.9
171.11627	13.6
173.13254	19.6
175.14716	6.1
179.17973	5.8
185.13214	6.9
185.64305	5.7
200.15495	7.1
201.16362	30.9
203.18013	10.3
215.17996	73.5
219.17381	5.5
227.17975	32.1
233.18990	48.8
241.19466	7.1
243.21338	5.3
245.19095	33.8
259.20538	9.0
311.27310	8.6
329.28366	8.9
393.35114	15.9
411.32199	4.7
411.36310	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	412.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.3
56.05025	0.4
57.03438	0.5
57.05435	0.3
58.06614	0.6
60.08166	5.7
65.09969	0.3
67.05509	3.6
69.07087	1.7
70.06580	0.4
71.07374	2.4
71.52345	0.4
79.05470	0.4
81.03414	0.9
81.07054	0.6
83.08637	0.4
85.02889	0.3
86.09711	29.8
87.08117	0.5
89.45760	0.3
91.05462	0.7
93.07075	0.4
98.98476	2.0
104.10745	5.1
105.01897	0.4
109.10156	2.9
119.08541	0.4
125.00010	19.9
127.03907	0.5
129.09138	1.1
139.91978	0.3
147.10162	0.7
152.05682	10.7
153.04079	0.8
184.07350	100.0
185.07701	0.3
193.12271	0.4
229.14473	0.8
362.90488	0.4
380.19278	0.8
394.20108	1.5
412.21030	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.4
55.01871	2.2
55.05524	1.3
57.03429	2.0
61.02923	2.3
69.03431	14.9
69.07080	1.6
70.06580	1.7
70.82836	1.9
70.83160	1.3
71.05006	5.0
72.08139	1.4
73.02909	2.1
76.72078	1.1
79.05511	1.6
81.02976	1.6
81.03426	15.0
81.07054	1.3
83.04999	2.2
85.02912	71.1
87.00843	3.1
87.04480	2.1
87.08068	1.0
97.02901	20.3
97.06520	1.7
99.04464	36.9
103.03951	85.1
105.01865	3.1
105.07021	2.9
107.08633	2.5
109.02881	15.2
109.10133	1.1
111.04399	1.2
119.08627	1.2
120.08110	4.1
127.03926	100.0
132.27853	1.4
133.10072	1.1
145.04971	58.7
145.10118	1.8
154.52991	1.0
163.06032	43.3
163.11168	1.7
173.09624	1.2
187.06097	5.0
187.11220	1.3
205.07141	3.4
213.75761	1.2
215.10751	1.7
219.15015	1.6
271.08148	7.6
271.15411	2.2
289.09222	6.2
307.10303	10.2
377.18259	2.1
412.20432	2.4
412.26852	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95463	1.0
53.03945	3.1
55.05517	2.0
57.03423	1.3
61.02934	2.1
67.05547	1.1
69.03438	8.9
69.30440	10.0
70.06577	1.5
71.04990	3.2
73.02916	2.6
79.05490	1.4
79.11555	1.2
79.60956	1.1
81.03429	11.4
83.05005	1.3
85.02910	72.6
93.07045	1.6
95.08617	1.4
97.02898	19.5
97.06536	1.5
98.06070	1.0
99.04462	38.3
100.11275	1.2
103.03945	88.5
105.07041	1.4
109.02881	10.5
111.04448	1.3
127.03925	100.0
145.04970	55.0
163.06026	50.1
163.11166	1.4
182.32520	1.1
187.05974	5.4
187.11130	1.4
205.07082	2.7
240.80580	1.1
271.08130	4.9
289.09158	7.0
307.10263	10.7
376.18433	1.2
377.18073	2.5
394.53253	1.3
404.98880	1.3
412.19949	4.3
412.26779	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24217	1.1
53.03937	4.8
53.60970	1.1
55.05506	2.2
57.03438	1.2
61.02922	2.3
63.39624	1.1
63.51998	1.3
67.05520	1.8
69.03420	10.1
69.07083	1.6
70.06593	2.7
71.05002	3.2
71.25719	2.3
73.02911	1.9
73.61385	1.0
81.03418	13.3
81.07050	2.5
82.41772	1.1
85.02908	72.8
87.00813	1.8
91.05470	2.2
93.07060	1.8
95.04980	3.5
97.02896	17.2
97.76046	1.2
99.03871	1.0
99.04453	34.7
103.03942	97.3
105.01867	2.5
105.07053	1.8
109.02879	15.6
109.06560	1.4
119.08564	1.3
127.03919	100.0
128.04312	1.1
145.04958	58.8
145.10136	1.4
163.06013	52.8
184.07315	1.7
187.06093	3.8
205.07112	4.7
233.15295	1.6
246.30582	1.3
271.08142	7.2
274.15210	1.8
279.15967	1.4
289.09274	6.6
302.14600	1.8
307.10178	13.4
377.18225	2.0
394.18839	1.2
412.19717	1.8
413.17679	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	413.1418
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.90433	0.4
56.05015	0.6
57.03439	0.4
66.08236	0.3
70.09783	1.5
74.06080	2.1
81.02229	0.3
85.02884	0.6
102.05545	1.2
110.26758	0.3
119.03548	3.0
120.06588	8.9
134.41980	0.3
136.06189	100.0
137.04611	0.9
162.04118	59.9
268.10355	0.9
281.09933	58.1
282.10132	1.0
413.14139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1808
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03940	9.8
55.01863	8.5
55.05507	22.8
57.03434	6.1
65.03931	7.1
67.05511	36.3
69.03429	32.1
69.07053	13.5
70.05893	16.5
71.04983	19.3
72.08162	4.5
73.02915	12.9
78.57478	4.1
79.05486	36.3
81.03406	17.5
81.06600	6.1
81.07059	99.7
82.06579	5.3
83.04969	17.1
83.08612	10.5
85.02886	23.1
85.06528	13.3
87.04475	8.7
91.05478	28.1
93.07049	37.2
95.01357	4.4
95.04967	60.3
95.08599	12.2
97.02882	15.4
97.06532	30.3
99.04465	20.0
100.07610	8.3
100.11266	34.0
105.07041	59.6
107.04948	10.9
107.08592	25.3
109.02882	9.8
109.06519	56.1
110.06036	4.0
111.04420	16.8
111.08057	10.1
113.06004	7.8
117.06992	15.2
119.04952	10.6
119.08625	23.2
121.06529	24.1
121.10122	20.0
123.04420	21.6
125.05994	27.5
127.03908	14.3
127.07567	28.5
127.08348	4.2
128.07048	8.2
129.07010	5.8
131.08540	28.7
133.06459	13.3
133.10104	9.9
135.04324	6.5
135.08063	7.5
135.11691	11.9
137.05969	48.7
139.07578	5.9
141.11510	7.8
143.07037	23.3
143.08525	12.7
145.06450	7.8
145.10123	88.2
147.08055	10.7
147.11732	8.9
149.06012	5.3
149.09593	10.7
151.07521	8.5
153.05449	8.8
154.07776	7.6
155.07083	6.8
155.08624	8.1
155.17766	4.8
159.06593	5.7
159.07974	4.5
159.11702	36.5
161.09612	5.9
163.03897	4.6
163.07455	5.8
163.11195	39.3
164.36569	4.1
169.10139	16.3
171.11719	5.5
173.09612	43.7
180.82819	4.0
182.15399	19.4
187.11183	92.1
189.12727	9.3
191.10658	59.1
205.12270	63.8
207.13770	4.7
209.11725	43.6
209.16560	7.3
210.14908	33.1
215.10643	66.1
223.13248	15.4
233.11714	71.2
251.12790	100.0
268.21359	5.8
269.13947	9.6
293.13855	4.9
321.13040	4.5
331.74789	23.7
340.75421	5.6
359.14615	5.4
377.15784	9.7
395.16779	14.8
395.27899	5.8
413.18079	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1807
Annotation	Pteroside S
Peak:m/z	Relative Intensity
53.03932	12.8
55.01855	11.4
55.05497	8.4
57.03414	7.6
65.03953	2.9
65.34668	3.6
65.43705	3.4
67.05510	29.1
69.03432	41.0
69.07073	32.8
70.06568	4.0
71.04977	11.9
71.51691	2.6
72.12241	3.0
73.02904	5.4
73.06549	3.0
77.09978	2.9
79.05160	2.8
79.05495	32.7
81.03422	74.2
81.07055	30.3
83.04572	3.2
83.04990	48.6
85.02911	26.9
85.06535	4.5
86.09691	3.7
91.05472	26.0
93.07055	39.4
95.04968	28.2
95.08597	11.4
97.02888	15.6
97.06538	44.0
99.04452	22.8
101.06015	5.3
103.05474	3.4
105.07040	73.6
107.04929	7.2
107.08586	30.3
109.02905	22.1
109.06510	19.6
109.10139	5.1
115.05433	4.1
117.07021	21.5
119.04922	7.7
119.08592	18.7
121.06500	37.0
121.10120	9.4
123.04455	5.5
123.06445	3.0
123.08057	4.7
125.05993	73.8
127.03889	13.1
127.94944	2.5
129.06955	6.2
130.07777	8.1
131.08578	28.5
133.06490	12.9
133.10101	11.6
135.04437	3.7
135.08011	8.7
135.11690	9.0
137.05983	18.7
141.06975	5.3
143.07066	34.1
143.08557	13.3
144.09320	5.4
145.06447	13.7
145.10129	100.0
147.04431	3.6
147.08057	5.2
147.11667	11.6
149.09673	5.3
151.07513	12.5
154.07779	4.2
155.08514	5.3
157.10083	8.0
158.07256	12.8
159.08041	11.6
159.11691	37.6
161.09685	3.6
163.11195	37.0
169.10138	12.5
171.11594	7.1
172.08812	6.8
173.09625	64.7
177.12708	9.8
179.08618	2.9
184.07295	8.3
187.11176	70.8
189.12790	6.0
191.10684	37.6
197.09622	11.7
199.06075	12.4
205.12257	58.3
209.11758	17.7
215.10689	68.3
233.11711	40.8
251.12714	21.3
263.12717	3.8
273.36768	2.8
279.12207	4.6
359.15161	3.2
377.15787	8.5
395.17026	31.7
413.17184	24.4
413.21844	11.5
413.25888	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	413.1808
Annotation	Pteroside Q
Peak:m/z	Relative Intensity
53.03953	10.9
55.01866	4.3
55.05505	6.8
57.03424	4.2
66.41422	2.0
67.05502	16.8
67.68046	1.9
69.03435	27.3
69.07060	18.0
69.19770	22.4
70.06582	2.2
71.04999	10.6
76.94098	1.9
79.05503	29.0
79.07463	1.9
79.39909	2.2
81.03423	29.3
81.07053	28.4
83.04984	31.2
83.08625	2.9
85.02901	21.0
85.06535	7.0
86.06063	4.1
91.05476	31.9
93.07049	37.0
95.04990	16.4
95.08623	13.0
97.02873	8.5
97.06536	32.1
99.04461	17.6
101.06010	3.1
103.05486	4.1
105.07035	76.3
107.04956	8.8
107.08593	35.6
109.02900	11.1
109.06524	21.5
109.10178	2.8
111.04471	2.8
111.08091	2.6
115.05418	3.3
117.07018	17.9
119.04951	10.8
119.08588	18.2
120.32058	2.1
121.06522	27.3
121.10119	7.4
123.04447	3.3
123.08059	3.5
125.06001	41.7
125.09740	2.4
127.03922	8.2
127.07544	2.4
128.06236	3.6
129.07018	5.5
130.07764	8.6
131.08575	21.7
133.06517	12.6
133.10139	7.2
135.08011	5.0
135.11700	6.9
137.05989	10.4
139.07556	7.6
141.06964	2.7
143.07042	20.8
143.08533	13.1
144.09361	7.4
145.06503	7.4
145.10124	100.0
146.62372	2.5
147.08025	5.4
147.11674	9.3
149.05934	2.4
149.09622	4.3
151.07532	13.8
154.07813	3.5
155.08589	4.3
157.08661	4.1
157.10138	3.5
158.07262	8.7
159.08067	6.7
159.11697	37.4
161.09647	3.0
161.13315	4.4
163.03975	2.5
163.07477	2.4
163.11189	34.0
169.10147	9.9
171.07953	2.7
171.11766	4.1
173.09637	50.2
177.12740	8.4
179.08568	3.3
187.11195	77.6
189.12698	3.1
191.10689	40.7
197.09642	6.8
205.12239	64.4
207.13925	2.6
209.11800	11.4
211.11189	2.6
215.10687	77.5
223.13222	5.0
233.11737	59.0
251.12805	28.2
280.16376	2.7
377.15961	2.9
395.16901	8.9
413.17786	11.8
413.25967	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	413.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.01857	9.7
55.05507	27.4
57.03437	5.3
63.87711	3.6
67.05503	10.8
68.19881	3.8
69.03428	29.8
69.07083	18.5
69.33825	34.7
69.34138	3.4
70.06615	4.7
71.04998	7.0
72.08144	6.5
72.52219	3.5
79.05501	20.3
79.05899	4.4
81.03426	27.4
81.07046	16.1
82.06578	10.8
83.04983	38.3
83.08620	11.9
85.02913	36.4
85.06528	4.8
91.05474	29.3
93.07042	35.8
95.04978	23.5
95.08582	10.1
97.02898	11.4
97.06538	35.5
99.04449	22.2
100.07616	11.3
100.11269	39.9
103.03931	18.2
104.04273	5.1
105.07040	75.0
107.04957	9.4
107.08588	32.3
109.02862	12.2
109.06505	21.5
111.04433	15.2
117.07018	13.6
119.04920	11.7
119.08589	17.9
120.08104	8.5
121.06532	27.7
121.08400	4.4
121.10153	6.9
123.04444	6.2
125.06008	49.5
126.09155	7.0
127.03906	19.9
127.07546	3.9
128.04291	7.3
128.07086	9.4
129.06973	9.4
130.07777	8.3
131.08574	23.6
133.06456	8.1
133.10092	10.0
137.06006	6.0
139.07510	5.5
141.11473	4.6
143.07039	23.7
143.08525	4.6
144.09366	6.2
145.04961	10.7
145.06459	7.4
145.10136	100.0
146.05344	6.3
147.08099	4.7
147.11627	8.8
149.09642	6.1
151.07547	16.9
152.82770	3.6
154.07753	5.3
158.07317	9.7
159.08073	6.0
159.11707	37.8
161.09735	4.7
161.13266	7.3
163.06006	4.5
163.11165	35.5
163.14790	3.4
169.10101	12.5
171.11818	4.6
172.08862	4.5
173.09634	49.5
174.09888	3.8
175.07565	4.5
177.12683	8.0
182.15404	28.8
187.11198	79.9
187.92500	4.0
189.12827	7.1
191.10686	34.6
197.09651	8.2
199.18051	7.0
203.19038	3.6
205.12225	56.2
209.11786	9.7
209.16525	7.2
210.14897	36.2
211.15118	4.3
215.10696	75.8
223.13387	5.6
227.17549	7.7
233.11723	50.1
251.12929	24.9
268.21469	5.0
273.17160	4.7
316.51590	6.2
326.27960	6.6
331.74573	15.8
332.24686	9.1
337.21240	4.9
340.25998	5.2
340.75122	4.5
395.16824	5.4
404.28506	6.7
413.17850	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	413.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99082	3.1
53.03940	8.2
55.01867	7.3
55.05509	10.4
57.03434	3.7
65.03942	5.1
67.05517	28.3
69.03432	22.8
69.07064	18.6
70.06583	3.3
71.01347	3.6
71.04983	11.8
71.52773	3.5
72.08155	2.6
73.02918	8.7
79.05502	36.7
80.71335	2.5
81.03419	21.2
81.07064	72.9
83.04987	36.3
85.02912	19.3
85.06549	8.7
86.09707	3.8
87.04438	3.8
91.05474	27.7
93.07062	37.5
95.04978	51.5
95.08620	12.7
97.02887	12.0
97.06534	32.9
99.04464	24.2
101.05973	3.2
103.05458	2.9
103.36803	2.4
105.07039	71.9
107.04956	10.3
107.08606	37.7
109.02885	11.8
109.06520	45.7
109.10167	9.3
111.04442	7.2
111.08070	4.3
113.05991	4.2
115.07497	2.6
117.07012	18.8
119.04948	8.5
119.08579	25.7
121.06521	24.6
121.10164	13.0
123.04439	11.6
123.08073	6.2
125.06004	39.9
127.03923	10.2
127.07577	20.4
129.06975	6.9
130.07791	7.1
130.61615	2.4
131.08591	25.1
133.06479	12.9
133.10161	13.0
135.04393	4.6
135.08087	7.5
135.11696	12.7
137.05991	32.4
137.09615	5.5
139.07538	4.5
141.05452	3.1
141.07022	6.1
141.75835	2.5
142.07774	3.1
143.07043	27.9
143.08556	11.7
144.09328	5.2
145.05005	2.8
145.06491	10.7
145.10133	100.0
147.08076	7.9
147.11711	8.0
149.05920	2.9
149.09660	6.5
151.07527	10.4
151.65413	2.5
153.05446	7.0
154.07759	3.0
155.07082	3.3
155.08572	4.2
157.10176	4.6
158.07246	3.7
159.06628	2.6
159.08058	10.1
159.11691	36.2
161.09660	5.2
163.03902	5.5
163.11191	37.0
165.12836	2.6
169.08673	3.4
169.10149	11.0
171.08075	3.3
171.11700	4.7
173.09634	50.8
175.07486	3.4
175.11211	4.6
177.12740	7.6
187.11186	88.9
189.12836	3.6
191.10704	43.1
197.09639	8.1
205.12256	64.5
209.11766	37.2
215.10681	74.5
223.13361	10.9
229.12231	5.7
233.11743	63.5
248.62070	2.7
251.12813	74.3
255.12126	3.7
269.13763	7.4
281.13950	4.9
335.14709	6.2
349.16443	4.8
351.25043	22.5
377.16003	9.0
395.17035	15.2
413.12619	2.8
413.17984	40.6
413.25076	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	413.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05514	35.7
55.78140	1.6
57.03441	11.5
57.07079	31.8
61.19592	1.7
62.57528	1.8
67.05510	16.1
68.42816	1.7
69.07074	44.1
69.48395	6.4
69.48826	7.2
71.04962	2.2
71.08641	19.2
79.05492	7.3
81.07061	18.9
83.08623	26.8
85.06526	1.8
85.10191	12.4
93.07054	9.7
95.08615	18.4
97.06551	5.7
97.10181	19.1
99.11714	2.2
101.06038	2.1
104.25453	2.3
107.08613	7.9
109.10153	10.8
111.08080	5.2
111.11739	5.2
115.07629	2.0
121.10160	11.9
123.11723	4.5
124.11982	2.2
125.09647	5.2
135.11700	8.6
139.11212	5.1
147.68562	2.0
149.13278	8.8
153.12779	3.6
163.14819	3.9
167.14375	3.3
177.16518	2.6
181.15881	2.8
191.18079	2.4
241.27100	2.0
303.30499	3.1
321.31506	13.0
390.76501	2.0
395.35315	13.8
405.61380	1.8
413.17874	2.1
413.36313	100.0
414.36426	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	414.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01883	1.9
57.03442	1.9
61.02935	1.5
67.05499	0.8
68.05031	0.6
68.99794	1.4
69.03437	10.8
70.06601	1.8
71.05001	1.3
71.51708	0.5
73.02918	2.1
78.32980	0.4
81.03423	10.7
81.07071	0.6
83.01354	0.4
83.04966	0.6
84.04497	0.7
85.02909	12.5
86.09698	0.6
87.00837	5.6
91.03960	0.7
91.05484	1.6
93.21478	0.4
93.80470	0.4
95.08601	0.8
96.04478	0.7
97.02903	5.7
97.06489	0.7
98.06066	1.6
99.04452	3.8
103.49160	0.4
104.05009	0.9
105.01871	3.7
105.07064	0.7
107.08601	0.6
109.02886	8.7
110.06039	1.0
114.05582	0.5
115.03883	0.4
116.07117	0.8
117.01832	1.0
119.08559	0.7
122.06080	0.5
124.03935	0.4
126.05533	3.8
127.03924	12.6
129.01819	0.9
131.04901	0.4
133.06560	0.4
133.10106	0.4
138.05495	0.6
145.04985	3.3
147.02908	0.7
148.02165	65.6
150.05531	2.1
151.03836	0.5
156.06564	0.4
159.02893	5.0
160.11998	0.4
166.03232	100.0
167.03575	1.0
168.06607	2.5
186.07629	1.4
189.04796	1.0
193.12209	0.6
211.13307	0.9
220.04343	0.4
231.04959	2.2
328.08633	0.6
378.18979	1.4
396.20160	1.0
414.08527	4.7
414.21011	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62777	0.9
53.03940	2.7
61.02927	1.5
66.37075	0.9
69.03448	8.4
69.94068	5.3
71.02033	1.0
71.04994	3.8
73.02911	3.1
73.06566	1.3
81.03431	11.1
85.02913	74.4
85.74313	1.0
94.83224	1.1
97.02891	20.4
99.04465	35.8
103.03950	96.0
109.02885	14.1
127.03928	100.0
145.04965	61.6
163.06035	64.2
187.06029	4.3
205.07089	4.5
271.08167	6.1
288.81769	1.1
289.09213	6.2
307.10245	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	414.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.2
57.03418	1.1
61.02898	1.6
69.03434	9.2
70.04591	4.0
70.04941	1.8
71.04977	4.3
73.06546	1.3
81.03429	12.5
85.02908	67.8
97.02905	19.7
97.82269	1.0
99.04457	35.0
103.03944	99.0
109.02881	13.3
127.03922	100.0
136.07507	1.7
138.30499	1.0
145.04962	67.2
152.93390	1.1
163.06024	71.2
187.06010	4.5
205.07088	4.5
243.72794	1.1
253.06924	1.7
271.08032	6.9
276.46878	1.1
288.90616	1.1
289.09201	8.5
307.10229	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	414.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.8
59.48538	2.1
67.05514	12.1
69.07079	5.3
70.07270	2.3
70.78291	5.5
71.08633	10.6
79.05492	8.4
81.07056	12.5
83.04970	2.3
83.08669	2.8
91.05495	7.7
93.07030	17.5
95.04976	2.2
95.08604	10.7
96.96130	2.0
97.06551	4.3
98.98479	4.2
99.08097	11.1
105.07040	6.6
107.04980	2.9
107.08601	8.0
107.35751	2.5
109.10140	3.5
119.08578	20.4
121.10139	8.7
121.10941	2.7
131.08585	3.5
133.10185	5.5
135.11696	7.3
143.31349	2.3
147.11650	3.0
149.13272	2.9
151.11278	3.4
155.01042	6.6
159.11696	3.7
161.13239	4.1
163.14868	2.8
179.14299	25.4
184.07365	5.1
209.03903	2.7
223.53267	2.3
261.22214	5.4
277.21658	16.5
300.49991	2.6
351.25345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49091	2.3
53.03970	2.5
55.05515	5.7
57.07114	2.5
67.05512	15.3
69.07062	6.4
69.69899	15.7
71.08648	13.6
72.49997	2.3
73.83150	2.6
79.05478	13.2
81.07053	14.8
83.04983	3.1
83.08625	3.8
91.05479	8.7
93.07052	17.5
95.08603	12.0
98.98479	8.3
99.08099	5.1
105.07032	7.8
107.04980	4.7
107.08600	9.3
109.10154	7.1
119.08593	27.7
121.10159	10.0
133.10185	4.1
135.11711	9.3
145.10130	3.4
149.13254	5.2
151.11182	4.4
155.01074	5.8
159.11711	2.8
179.14339	28.5
184.07350	5.9
235.17024	3.0
261.22214	8.1
277.21671	23.9
293.46283	2.7
318.81842	2.8
351.25330	100.0
371.11771	2.6
371.75641	2.7
421.79886	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	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	19.0
54.37122	2.5
55.01865	7.4
55.05505	15.6
57.03437	6.2
61.02912	3.2
67.05509	21.4
69.03429	33.3
69.07073	25.5
69.67469	14.3
71.04984	22.2
77.30322	2.4
79.05498	28.0
81.03420	72.4
81.06593	3.6
81.07059	58.8
83.04984	44.5
83.08608	10.0
85.02905	22.8
85.06517	7.8
86.09689	7.4
86.66824	2.8
91.05495	23.7
93.07048	70.2
95.04971	22.3
95.08607	47.8
97.02881	6.6
97.06539	43.4
99.03868	3.5
99.04464	45.1
99.08083	3.1
101.05999	2.8
105.07038	53.5
107.04941	12.0
107.08588	41.6
109.02888	53.8
109.06515	31.5
109.10159	8.9
111.04469	3.6
111.08088	44.0
113.05991	5.7
117.07009	4.6
119.04956	3.9
119.08577	28.6
121.06508	59.3
121.10115	6.1
122.48987	2.7
123.04418	6.2
123.08060	9.6
123.11732	17.5
125.06004	44.1
127.03924	97.4
127.07568	8.6
129.06982	6.1
131.04994	2.6
131.08548	11.8
133.06508	6.1
133.10129	30.2
135.04413	6.5
135.08064	23.3
137.05966	7.2
139.07507	20.6
141.10696	2.7
142.07755	6.5
143.07028	41.8
143.08525	9.8
145.10103	10.9
147.08017	9.4
147.09155	5.1
147.11684	58.1
149.09610	4.3
149.13258	8.6
151.07524	4.3
151.11137	9.6
153.09068	6.1
156.09305	3.7
157.08733	5.9
157.10120	24.7
159.06532	8.7
159.11678	3.9
161.13249	10.9
163.11169	3.8
163.14685	3.5
165.12733	23.4
169.12244	44.6
171.11690	19.2
173.09589	6.3
173.13211	2.9
175.11177	45.6
177.09068	4.6
181.10153	4.0
182.64697	2.7
187.06010	19.2
189.12778	30.9
193.12263	50.1
199.11168	22.4
207.13805	18.2
209.08054	2.9
209.11684	2.8
209.15375	3.1
211.13289	55.7
212.91675	2.7
217.12248	97.2
227.47807	2.6
229.14326	15.8
235.13295	100.0
253.14362	65.9
337.16345	3.7
355.17508	3.4
361.16394	3.8
371.15945	3.6
379.17340	8.5
397.13956	5.7
397.18558	6.6
415.15268	19.6
415.20175	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	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	16.1
55.01873	5.0
55.05505	12.7
57.03445	5.9
67.05499	20.2
69.03431	35.3
69.07058	20.1
71.04996	17.4
73.67693	4.7
75.62834	4.1
79.05504	32.0
81.03423	58.8
81.07061	57.4
83.05000	42.5
83.08614	6.6
84.31503	3.9
85.02897	23.2
85.06561	7.5
86.09718	8.0
91.05478	17.6
93.07047	67.5
95.04987	24.1
95.08614	42.4
97.02892	7.2
97.06535	41.1
99.04458	30.7
99.05010	4.6
105.07034	50.1
106.63673	4.1
107.04886	5.0
107.08591	37.2
109.02890	40.2
109.06534	27.0
109.10178	8.2
111.08081	36.5
113.06041	5.6
115.70496	4.1
117.97900	4.1
118.43016	4.0
119.08588	28.5
121.06516	57.1
121.10159	9.4
123.04465	7.2
123.08086	6.1
123.11742	13.9
125.05985	41.4
127.02991	5.1
127.03925	100.0
127.07523	7.7
129.07050	8.5
131.08517	6.4
131.84634	4.1
133.10144	26.8
135.04434	3.9
135.08044	14.0
137.05986	7.7
139.07549	23.1
143.07056	34.0
143.08577	6.3
145.10127	11.3
147.08096	5.6
147.11688	68.5
149.13258	6.4
151.11208	11.0
155.08449	4.8
157.08733	6.2
157.10155	13.5
159.06595	10.2
159.08026	4.4
161.09708	6.5
161.13245	12.5
165.12766	18.0
169.12210	41.3
171.11697	12.0
173.13268	4.4
175.11223	37.9
187.06006	29.3
189.12720	25.9
193.12253	49.9
199.11180	27.6
207.13835	17.8
207.23698	4.2
211.13316	59.8
217.12245	82.2
229.14291	21.1
235.13287	95.8
237.11081	5.7
253.14355	59.7
258.09329	4.9
271.15439	4.8
288.98135	4.6
308.75787	4.5
333.81976	4.6
355.17740	5.1
361.16351	5.6
379.17572	11.3
390.70670	4.8
397.18704	15.7
405.64966	4.6
415.15765	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	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	14.4
55.01868	8.2
55.05510	12.1
57.03437	5.2
59.05019	2.9
67.05505	17.3
69.03439	27.3
69.07085	23.0
69.87605	6.5
69.87997	3.9
70.06580	2.7
71.04995	15.7
72.08158	2.6
75.75556	2.4
77.78641	2.6
79.05495	30.6
81.03421	50.3
81.07058	60.3
82.55613	2.9
83.04990	34.8
83.08636	8.8
85.02917	18.8
85.06539	8.8
86.09708	10.2
91.05470	24.6
93.07050	63.2
95.04975	26.5
95.08613	37.8
97.02874	5.1
97.06533	35.9
99.04458	36.8
105.07037	49.7
107.04978	10.0
107.08604	35.4
109.02879	34.6
109.06527	32.8
109.10163	13.0
111.08077	37.0
113.06007	4.3
117.07026	6.2
119.04990	3.2
119.08587	30.3
119.47195	2.3
121.06511	62.1
121.10142	8.5
123.04403	5.4
123.08073	8.5
123.11745	14.7
125.05989	32.1
125.79462	2.7
127.03920	87.9
127.07549	10.6
129.07033	5.1
131.08572	10.6
133.06477	3.9
133.10136	22.9
135.04465	3.1
135.08049	16.7
135.11748	3.8
137.06017	6.1
139.07532	19.1
142.07788	7.1
143.07043	27.6
143.08578	10.1
145.06538	4.1
145.10127	11.2
147.08081	8.5
147.11691	57.7
149.09637	4.0
149.13274	7.7
151.07509	3.3
151.11185	10.7
155.07176	2.6
156.09367	5.3
157.08582	8.9
157.10127	18.7
159.06535	8.6
159.07892	3.6
161.09566	4.0
161.13283	11.6
165.12775	25.7
169.08618	4.3
169.12265	35.1
171.10475	2.5
171.11705	17.9
173.09703	7.9
175.11203	43.4
175.12614	5.1
178.10641	2.5
181.10162	4.1
187.05981	14.6
189.12749	28.2
191.10667	3.9
191.14296	4.3
193.12248	42.4
199.11205	23.1
207.13843	16.9
209.15317	3.5
209.92091	2.9
211.13293	47.6
217.12250	84.6
229.14331	17.2
235.13297	100.0
237.11214	3.2
245.07162	3.0
253.14381	67.7
271.15421	7.3
337.16208	3.1
346.75497	2.8
379.17554	11.3
397.18451	9.8
415.20056	3.3
415.26575	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	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63463	3.0
53.03943	14.5
53.97259	3.0
55.01874	7.9
55.05515	13.1
57.01841	3.0
57.03436	8.8
57.07077	3.7
57.66707	3.4
58.25575	3.4
65.03967	3.7
67.05499	17.2
69.03429	28.0
69.07075	22.5
69.88697	6.4
69.89087	9.3
71.04984	16.1
79.05508	27.6
81.03426	51.6
81.07061	58.7
81.61479	2.9
83.04995	31.2
83.08628	10.0
85.02914	24.3
85.06541	11.0
86.09705	3.5
91.05473	25.6
93.07056	68.4
95.04974	27.3
95.08611	37.3
97.02912	12.6
97.06554	38.6
98.20792	4.5
99.04460	34.3
105.07039	52.7
107.04980	4.8
107.08602	35.0
109.02893	36.5
109.06518	30.7
109.07090	3.2
109.10162	8.4
111.04477	4.5
111.08089	30.4
117.07040	5.0
119.08581	27.5
121.06521	67.8
121.10123	6.4
123.04471	3.2
123.08072	8.1
123.11719	14.5
125.06001	26.7
126.30883	3.3
127.03930	81.6
127.07537	8.5
129.07024	3.9
131.08578	9.7
133.06496	4.7
133.10167	23.2
135.08086	18.7
137.05963	8.3
139.07552	18.6
141.05531	3.3
142.07780	5.0
143.07053	24.8
143.08601	7.4
145.05026	4.1
145.06584	3.6
145.10139	10.3
147.04434	4.3
147.08098	7.8
147.11699	55.0
149.09726	3.9
149.13234	6.9
151.07683	3.5
151.11145	8.1
155.07104	4.2
156.09360	6.6
157.08768	6.3
157.10146	20.5
158.09663	8.7
159.06581	5.0
161.05966	3.7
161.09613	3.4
161.13301	9.9
165.12752	22.4
167.07077	3.1
168.08119	8.4
169.12262	33.1
171.11674	21.2
173.09605	7.6
175.11200	42.3
177.09195	3.2
181.10147	3.6
184.07330	4.6
184.08907	3.5
187.06044	20.2
189.12749	34.0
193.12230	44.4
193.13838	3.2
199.11195	24.0
205.07092	7.6
207.13872	19.6
211.13274	42.7
217.12241	89.4
227.12782	4.1
229.14360	11.1
235.13306	100.0
253.14392	57.3
271.15515	6.4
355.17599	3.4
379.17542	8.7
397.18707	10.4
418.76895	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	16.0
55.01867	11.7
55.05495	16.0
57.03430	14.0
61.02897	6.4
64.79453	4.2
67.05507	22.7
68.95684	3.3
69.03435	48.7
69.07064	13.6
70.06593	7.4
71.02488	6.8
71.04993	17.5
71.52718	5.4
72.74429	4.7
73.02881	4.3
79.05499	44.8
81.03423	66.0
81.07064	65.3
83.04987	42.8
83.08614	4.2
85.02903	56.8
85.06541	8.4
86.09676	11.2
91.05475	33.1
93.07045	90.1
95.04974	17.0
95.08611	30.6
97.02903	30.3
97.06546	31.4
99.04465	48.3
101.02302	3.5
101.06036	6.6
105.07040	76.8
107.04940	11.6
107.08598	63.5
109.02880	55.3
109.06525	31.1
109.10146	11.5
111.04353	4.0
111.08073	14.6
117.07016	11.0
119.04961	5.7
119.08587	47.3
121.06510	73.6
121.10154	12.3
123.08081	6.6
123.11729	8.8
125.05994	15.1
127.03922	97.4
127.07571	11.8
128.06244	5.2
129.07005	7.9
131.08563	11.3
133.06476	8.0
133.10133	26.7
135.04449	9.8
135.08057	20.6
135.11778	4.0
137.05968	8.0
139.03935	4.7
139.07541	15.9
142.07806	5.7
143.07047	12.1
143.08563	15.8
145.04930	10.4
145.10132	15.3
147.08051	8.8
147.10551	5.9
147.11691	86.2
149.13333	6.0
156.09373	8.2
157.08862	6.3
157.10124	33.5
161.13275	12.0
165.12764	27.3
167.10733	3.9
171.11685	30.3
173.04550	4.8
173.09656	5.6
175.11179	49.4
187.06036	39.4
187.11221	5.1
189.12741	44.3
193.12257	59.7
199.11182	35.0
205.07051	28.5
207.13812	27.4
209.15404	6.0
211.13289	17.2
217.12239	100.0
229.14275	5.4
235.13278	94.4
253.14346	56.2
323.14923	5.8
397.18945	5.7
415.27826	41.5
415.77615	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50566	1.8
53.03942	3.4
55.05508	11.0
57.03437	5.9
57.07071	3.6
67.05507	39.4
69.07064	7.9
76.68045	1.9
79.05492	34.5
81.07055	48.5
81.24324	2.2
83.08615	5.8
85.06536	2.3
91.05481	23.7
93.07044	45.7
95.04943	2.1
95.08615	41.3
97.06522	2.2
97.10168	2.5
98.98470	64.9
105.07028	17.4
107.08592	33.0
109.06511	3.4
109.10158	21.6
111.08154	2.6
111.79216	2.0
113.09655	2.4
113.96391	1.8
117.07024	7.4
119.08585	52.3
121.10155	31.5
122.50027	1.8
123.10901	2.2
123.11691	9.3
125.09637	2.0
131.08574	14.8
133.10118	12.5
135.07965	2.0
135.11697	26.9
137.09644	2.2
137.13272	4.2
145.10129	14.1
147.11678	10.1
149.09712	2.7
149.13249	26.7
151.11217	3.2
151.14900	2.1
153.12752	1.9
153.49522	1.9
155.01053	79.3
159.11699	11.8
161.13277	11.7
163.14807	16.8
165.12723	2.2
173.13271	14.1
175.14867	5.6
177.16406	5.6
179.14259	2.1
184.07343	2.5
187.14835	8.4
201.16573	2.4
205.15988	2.6
215.18079	2.7
233.22742	3.7
243.21082	31.2
261.22156	100.0
415.17609	2.1
415.22583	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	416.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
57.03435	0.3
60.06510	0.2
65.03945	1.7
69.03445	2.3
69.55360	1.7
70.06581	0.3
71.05006	0.5
72.08179	0.4
73.02914	0.4
81.03436	2.7
81.12952	0.2
84.08107	0.3
85.02914	6.7
86.09674	0.3
86.27251	0.3
92.05013	1.9
93.05862	0.3
97.02897	2.9
99.04463	3.5
103.03955	4.2
109.02878	2.2
110.06052	100.0
111.06374	0.7
125.68413	0.3
127.03926	7.3
127.04825	0.5
145.04945	2.6
163.06108	0.3
187.06042	1.0
203.61345	0.3
416.15549	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	416.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90068	0.6
53.03938	1.1
55.05500	0.6
65.03945	3.9
69.03437	3.9
70.42889	1.8
80.05006	1.0
81.03422	3.6
83.04992	0.8
85.02915	9.6
92.05013	34.7
93.05809	2.9
94.06569	1.9
97.02898	3.0
99.04460	7.1
103.03932	6.7
109.02875	4.0
110.06046	100.0
111.06288	0.7
127.03922	12.4
130.06592	0.6
145.04980	2.9
152.07132	1.0
169.04901	0.7
176.52090	0.6
236.09148	0.8
254.10211	1.4
265.37021	0.6
272.11374	2.6
354.15555	1.8
416.15533	53.5
417.16006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.3
55.01868	14.5
55.05508	12.9
57.03428	13.8
66.62753	4.7
67.05489	20.3
69.03437	36.9
69.07078	9.4
71.05002	6.0
71.53074	8.7
71.65967	4.9
73.02928	4.8
73.74981	4.3
79.05487	16.7
81.03418	40.6
81.07059	26.3
83.01332	5.3
83.04977	13.4
83.08617	7.9
85.02913	100.0
87.00847	38.3
89.22459	4.6
91.05503	14.2
93.07035	23.9
95.04967	4.8
95.08598	8.3
97.02914	31.7
97.06538	9.5
97.10180	8.3
99.04446	19.0
105.01873	44.4
105.07040	5.9
107.04958	6.2
107.08580	14.3
108.04475	6.9
109.02880	30.6
109.06526	31.3
109.10186	4.9
111.04434	16.5
111.08093	6.0
114.93085	4.2
119.08585	14.9
119.33835	4.4
121.10139	12.6
123.08081	6.3
127.03931	81.8
131.08549	8.4
133.09958	4.1
135.11716	14.0
145.04974	54.2
145.10101	12.8
149.09618	6.8
151.11180	18.2
152.53992	4.6
153.12761	8.6
157.79001	4.5
159.02864	21.5
163.11176	24.4
163.67635	4.6
173.09508	6.5
181.12270	5.6
185.04436	4.4
189.03934	5.7
191.10645	5.2
209.11774	10.9
215.22673	4.4
227.12842	16.6
231.05028	20.6
249.06053	5.0
273.18402	8.7
283.15387	73.0
289.17990	12.7
291.19681	9.5
307.19223	7.6
363.21518	6.2
381.22876	39.1
399.09915	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	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08713	2.3
51.91334	2.3
53.03938	6.0
53.63897	2.6
55.01879	19.4
55.05521	16.4
57.03437	14.0
61.02930	5.1
62.62126	2.8
67.05509	21.5
69.03436	27.2
69.07085	4.8
70.06591	2.3
71.04985	7.4
71.51743	2.5
73.02921	7.0
79.05504	21.0
81.03432	27.4
81.07066	23.3
83.01386	3.4
83.04977	15.6
83.08631	14.6
83.83550	2.1
85.02917	78.4
85.03445	3.8
85.83211	2.2
87.00839	27.9
91.05470	16.2
93.07050	23.3
95.04967	8.6
95.08601	9.4
97.02895	36.4
97.06524	8.1
97.10180	8.4
99.04460	15.9
99.08120	2.6
105.01872	38.9
105.07035	7.2
107.04955	10.1
107.08614	12.7
108.04504	6.2
109.02886	24.8
109.06523	28.6
109.10175	7.3
111.04435	14.0
111.08100	4.1
117.01836	2.8
117.07012	5.4
119.08604	12.8
120.19533	2.6
121.10156	10.1
123.08067	7.0
125.09657	5.0
126.05522	2.6
127.02982	3.9
127.03928	63.6
131.08563	4.2
133.10156	3.8
135.08055	5.8
135.11685	15.3
137.09651	3.3
145.04976	47.3
145.10165	15.3
147.02861	2.3
147.08170	4.8
149.09654	2.8
151.11198	10.5
153.12761	10.1
155.08565	3.6
159.02905	20.7
159.08015	3.7
163.07507	3.3
163.11220	29.9
167.07191	2.7
173.09674	6.1
181.12263	9.7
189.11134	3.8
191.10687	11.9
209.11786	22.2
227.12808	25.7
228.76273	2.3
231.05040	24.4
248.07681	3.9
249.06082	2.6
271.16937	5.3
283.15417	100.0
289.17911	17.6
291.19534	4.4
301.16525	3.0
307.19135	11.2
313.82980	2.5
363.21643	9.9
381.22760	68.9
427.57614	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	416.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.5
55.01870	8.0
55.05512	19.7
56.96555	2.6
57.03441	18.0
67.05243	2.0
67.05517	21.4
67.83738	2.3
69.03450	3.5
69.07074	7.2
69.34077	5.6
69.34473	18.3
70.06590	3.5
71.04980	5.6
79.05505	24.4
81.03411	14.2
81.07063	30.6
83.01338	8.5
83.04980	19.0
83.08632	16.5
85.02908	6.3
86.06118	2.3
87.04462	4.0
90.60643	2.8
91.05502	16.1
92.98622	2.3
93.07060	31.1
95.04983	8.6
95.08624	12.6
97.06539	12.6
97.10177	8.3
98.06087	4.7
98.21531	4.9
99.04443	4.0
100.11272	2.8
105.07037	10.4
107.04945	9.5
107.08627	19.2
109.06530	9.1
109.10146	5.5
111.04453	14.0
111.08076	7.8
117.07034	11.3
119.08579	15.1
121.06570	5.9
121.10166	9.1
123.08083	10.2
125.05947	3.7
125.09633	8.5
129.06970	2.8
131.04916	2.6
131.08588	8.3
133.10132	6.8
135.08084	2.8
135.11703	16.0
137.06021	2.7
137.09685	4.0
145.10173	16.9
147.11751	3.4
153.09061	2.7
153.12762	13.6
159.08029	4.2
163.11183	29.2
173.09634	7.7
181.12236	15.4
182.15413	2.7
189.11217	5.8
191.10704	10.2
200.16530	9.5
209.11781	22.9
227.12804	26.1
271.16962	3.8
283.15421	74.6
289.17990	19.5
307.19000	8.8
363.21512	6.0
365.85196	2.8
381.22729	100.0
416.17249	4.6
423.56158	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01874	8.3
55.05505	0.8
57.03440	0.8
57.07063	0.7
58.99593	0.8
61.02936	0.6
65.03957	0.9
67.05510	2.7
69.03431	6.2
69.07063	3.2
71.04995	2.3
71.52430	0.7
72.08163	0.5
73.02931	0.7
79.05488	1.3
81.03421	3.6
81.07056	4.3
82.28642	0.4
83.04971	1.9
83.08624	0.9
85.01159	0.9
85.02907	6.2
85.06544	7.7
86.09701	1.1
86.99057	0.4
87.00838	2.7
91.05472	1.1
93.03416	0.7
93.07041	1.8
95.04970	2.3
95.08606	1.3
97.02890	2.0
97.06537	1.4
97.10191	0.5
99.04448	1.7
102.74100	0.5
105.00114	1.3
105.01871	1.3
105.07014	1.7
107.04964	0.9
107.08583	2.2
109.02870	3.7
109.06528	2.1
109.09468	0.7
109.10160	7.0
111.04439	1.2
111.08085	2.0
113.06009	2.1
117.01891	0.4
119.08609	0.9
121.06570	0.5
121.10135	2.4
123.04419	3.3
123.08064	0.8
123.11720	7.0
124.05228	1.1
125.00563	0.7
125.09583	0.6
127.03943	4.1
127.11121	0.5
131.01671	1.2
133.06538	0.6
133.10136	1.0
133.68723	0.5
138.03110	0.8
138.06779	1.0
139.02145	1.6
139.03893	5.3
139.11205	2.4
140.04694	6.1
142.00827	1.1
145.04982	1.0
145.06393	0.6
151.03912	1.4
151.11179	4.6
153.00192	0.4
153.05476	14.5
153.12701	2.1
154.06325	0.5
155.07024	5.3
156.05644	0.6
157.03227	1.1
159.02875	1.2
161.09615	0.5
167.01608	2.0
167.07051	6.6
168.99527	2.0
169.12245	66.6
170.00357	2.3
170.12607	0.5
173.05997	0.9
174.89792	0.4
176.04683	0.6
177.02261	0.6
177.05455	0.6
181.04999	3.1
182.15385	0.9
184.01897	29.2
185.02678	45.4
189.12424	0.6
193.12233	0.8
199.04251	38.1
208.07310	0.7
209.02744	1.1
209.08107	1.7
210.14917	0.6
211.13321	0.9
217.08725	0.7
217.12173	0.6
233.07999	1.0
241.05293	100.0
242.05608	1.2
253.14287	0.6
297.16949	0.7
381.23666	0.5
387.14246	1.1
399.24698	0.8
417.16003	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.24
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55057	0.6
53.03939	2.0
55.05511	7.9
55.76368	0.6
57.03432	5.5
57.07077	5.8
65.03934	1.5
67.05505	48.2
69.07068	10.2
69.22701	7.3
71.04964	0.8
71.08628	2.0
79.05492	12.9
81.03402	1.6
81.07056	56.7
83.04959	0.8
83.08615	7.3
85.06546	1.9
85.10175	1.3
85.99741	0.6
90.33911	0.8
91.04978	1.0
91.05488	9.9
93.07047	17.1
95.04960	1.2
95.08608	52.2
97.06528	2.9
97.10180	5.2
98.98467	73.3
99.08103	2.4
105.07032	8.7
107.08598	9.6
109.06524	1.3
109.10157	26.1
111.08103	3.7
112.47982	0.7
113.09631	1.5
119.08572	7.8
121.10146	11.8
123.08054	1.3
123.11700	11.6
124.99981	1.0
125.09601	0.9
127.11185	1.6
133.10136	9.7
135.11682	7.9
137.09616	2.4
137.13249	7.3
139.11150	1.0
147.11719	6.9
149.13249	5.7
151.14824	7.0
155.01041	100.0
161.13225	5.5
163.14847	6.0
165.12737	0.7
165.16389	4.6
165.41394	0.7
175.14845	4.6
177.16417	1.7
179.17914	1.4
181.15845	0.7
189.16367	3.2
196.62494	0.6
203.17944	1.2
225.50699	0.9
245.22658	23.8
263.23706	48.8
284.33856	0.8
355.73431	0.7
399.26889	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13234	0.8
53.03944	1.7
55.01872	1.1
57.03431	2.3
61.02929	1.3
65.03933	1.1
67.05502	3.6
69.03139	0.9
69.03437	9.6
69.37189	0.7
71.04993	0.9
71.50907	1.4
73.02895	1.8
76.04015	1.3
78.98937	0.7
79.05495	4.5
81.03419	6.3
81.05772	1.1
81.07051	1.4
83.04985	0.8
85.02909	11.0
86.09730	1.2
87.00820	1.7
91.05464	0.9
92.05003	3.4
93.05777	1.3
96.08112	3.3
97.02906	4.9
99.04454	2.1
101.00912	0.9
106.06557	26.5
106.07272	1.6
108.08121	100.0
109.02914	5.1
109.05331	0.8
123.06792	5.2
124.07597	30.5
127.03921	7.4
129.02962	0.7
129.05498	1.5
130.08650	1.0
132.61484	0.7
134.06020	16.7
136.07571	17.8
137.08380	0.8
145.04964	2.3
148.07503	1.2
152.07069	87.5
154.08565	0.8
161.02904	1.1
164.07034	0.8
170.08134	20.4
176.07079	0.7
185.02914	1.0
187.06035	1.3
194.08145	2.0
197.02965	0.8
243.88011	0.7
245.05215	1.5
314.12311	2.0
332.13394	6.6
338.12335	1.5
356.13440	7.1
374.14438	17.4
382.11423	1.5
400.12366	14.3
418.13449	74.1
419.13773	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12759	0.7
52.29801	0.6
53.03954	1.7
53.28434	0.7
55.01851	0.7
55.05512	5.7
57.03436	1.1
61.02921	1.6
67.05482	2.3
69.03439	6.2
69.07056	2.5
69.76923	4.3
70.06577	1.2
70.54996	0.7
71.04973	0.9
74.12550	0.6
74.31706	0.6
79.05475	3.9
81.03407	2.8
81.07047	4.4
83.04980	5.4
83.08604	1.9
84.04498	1.1
85.02908	12.8
86.09690	3.0
91.03922	0.9
91.05487	10.0
93.07050	14.4
95.04979	1.8
95.08590	6.3
97.02914	3.7
98.97597	1.0
99.04482	1.1
103.05452	1.9
103.96661	0.7
105.07049	5.5
107.04949	2.4
107.08597	14.9
108.05733	2.6
109.02851	2.9
109.06532	1.6
109.10162	1.2
111.04450	3.3
111.08092	1.2
117.07027	1.1
118.04158	0.8
119.04949	3.9
119.08575	4.2
121.06506	11.9
121.10139	1.4
123.04361	0.8
123.08066	39.7
127.03893	3.1
131.08565	1.7
133.06544	1.1
133.07582	1.4
133.10132	7.5
135.11685	9.0
137.05981	7.6
139.03897	1.5
139.07492	0.9
144.09302	0.8
145.04950	3.2
147.04379	2.7
147.08061	2.0
147.11667	7.8
149.02348	3.3
149.05984	6.2
151.03900	1.2
151.07549	19.4
153.05505	0.9
157.10130	2.1
159.11670	1.9
162.05409	0.9
163.06015	0.9
163.07497	0.9
165.05490	10.5
167.07037	30.0
175.11185	19.9
175.12276	0.5
177.09088	2.2
177.12796	2.4
179.10692	7.3
193.08548	1.0
193.12242	4.9
203.10674	9.7
221.11729	100.0
222.07527	2.0
222.12076	1.9
293.09409	1.2
335.10190	0.9
340.14557	0.8
418.08804	0.8
419.13232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68242	0.5
57.03426	0.7
60.10664	0.5
69.03425	0.6
70.48852	1.9
71.04987	0.5
73.06554	1.3
79.05476	0.6
82.27596	0.5
85.02898	1.9
86.09712	2.2
88.11422	0.6
91.05465	0.7
93.07050	1.2
97.02926	0.8
102.01048	0.6
103.05464	6.3
106.06549	0.6
107.04967	1.7
108.08109	1.8
109.02898	0.7
120.08112	100.0
121.08439	1.0
124.07575	1.0
127.04003	0.8
131.04945	2.1
134.30896	0.5
136.06198	1.1
149.06027	2.0
150.46535	0.5
152.07106	2.1
166.08650	53.5
418.13339	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.05506	7.4
60.62875	2.9
67.05510	14.4
69.07058	14.5
69.82557	6.8
69.82962	13.4
71.04995	7.2
79.05502	21.1
81.07056	36.9
83.04997	7.2
83.08617	6.9
91.05488	38.9
93.07041	42.4
95.04423	3.4
95.04984	15.0
95.08604	20.1
97.06535	3.6
98.98460	8.0
103.05482	4.4
105.07037	100.0
107.08605	44.5
109.06525	92.8
109.10168	21.0
111.08094	12.1
117.07030	21.4
117.07745	3.5
117.14127	3.7
119.08585	63.4
120.09323	3.3
121.06507	8.6
121.10139	30.4
122.07314	7.7
123.08091	11.3
123.11752	4.6
125.09659	7.3
128.06248	11.4
129.07013	18.0
130.07846	8.4
131.08578	40.7
132.09404	4.2
133.10158	40.9
135.08076	13.7
135.11700	10.3
137.09627	26.7
141.06979	8.8
142.07802	19.2
143.08591	40.7
144.09363	12.0
145.06474	4.8
145.10135	57.6
147.08037	17.9
147.11685	22.0
149.09633	5.6
151.11179	7.1
153.07077	5.1
155.01059	11.1
155.08582	14.4
156.09363	13.0
157.10146	53.1
158.10927	9.3
159.08072	5.7
159.11681	28.6
161.09618	11.0
161.13248	4.4
165.06984	6.3
167.08640	3.8
168.09320	7.5
169.10173	24.4
170.10934	8.5
171.11732	38.4
172.08749	3.8
173.09651	6.7
173.13272	18.6
175.11281	8.2
175.14847	6.5
179.08562	10.8
180.09402	7.5
181.10129	19.4
182.10985	6.9
183.11687	25.1
184.12531	4.0
185.09789	5.1
185.13307	16.4
187.11218	6.2
187.14737	5.0
189.12759	6.2
193.10167	9.2
194.10789	8.1
195.11674	26.5
196.12527	7.1
197.13266	16.5
199.11227	8.8
199.14854	9.5
201.12735	4.7
205.16013	3.4
206.10912	4.9
207.11729	13.1
208.12381	9.5
209.13243	18.2
211.11227	5.1
211.14861	12.4
212.11876	4.0
213.12610	7.0
213.16455	3.9
215.14246	4.0
219.11723	3.6
220.12480	3.7
221.13283	9.2
223.14874	14.4
225.12791	3.7
227.14331	6.9
229.16273	3.9
235.14871	8.8
237.16354	16.7
247.14864	9.0
251.14200	5.1
253.15883	6.9
265.15790	3.7
301.19653	4.3
304.91507	3.3
319.20685	5.3
325.04617	3.7
333.21906	4.0
357.25793	4.5
375.27008	5.3
385.25198	6.7
418.17673	12.9
418.28528	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	418.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
56.77130	0.3
57.07082	4.9
58.06591	1.3
66.58498	0.3
67.05500	0.8
68.05031	0.5
69.07041	0.5
69.21496	3.5
70.06596	15.8
71.08637	1.9
72.08181	1.9
79.05520	0.3
80.48669	0.4
81.07047	0.9
82.07396	0.4
84.08149	2.4
85.10169	0.7
86.09717	3.5
88.07635	5.1
89.06030	0.5
92.25434	0.4
93.07045	0.4
95.08606	0.8
96.08876	0.4
98.21493	0.5
98.98456	0.7
102.09197	2.7
107.08611	0.4
109.10158	0.5
114.09158	0.6
125.00021	0.4
132.10204	8.1
146.11766	7.8
155.01035	1.0
184.07317	0.7
214.70680	0.3
225.23801	0.4
229.21233	0.3
264.23978	0.5
268.29965	2.2
294.31580	1.2
306.27844	0.4
312.32605	9.6
318.21487	0.5
352.37607	0.4
356.35236	37.5
357.35583	0.9
400.38181	0.4
418.38922	100.0
419.39310	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01460	0.7
77.92726	0.4
94.92434	0.7
94.93027	13.5
100.30826	0.3
104.23738	0.3
120.94542	1.5
136.94040	100.0
148.94043	32.6
155.96008	0.4
166.95103	59.6
178.95070	3.2
190.95123	1.5
196.96159	20.1
208.96106	3.0
214.22684	0.4
220.96133	1.4
238.97154	1.9
245.05244	0.5
256.95563	0.7
256.98285	17.1
419.03598	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	419.0974
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
53.32529	0.2
57.03436	0.7
61.02932	1.7
68.99786	0.6
69.03416	0.4
70.62575	0.4
71.01334	0.4
73.02922	13.0
85.02888	0.4
105.03362	0.3
107.04962	0.3
109.02857	0.2
111.00806	0.6
115.03946	1.1
121.02859	2.2
127.03964	0.2
133.02875	0.4
137.02351	0.6
141.07251	0.1
145.06451	0.2
147.04407	0.7
153.01837	3.9
153.03021	0.3
157.06482	0.4
161.84897	0.1
165.01831	1.9
171.04369	0.4
183.02919	0.8
185.05972	0.4
197.05881	0.2
203.07082	0.2
213.05455	1.5
224.42525	0.2
231.06538	0.9
241.04938	1.0
258.05096	1.0
259.06012	0.4
287.05508	100.0
288.05759	1.2
317.41171	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	419.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29482	0.4
68.58592	0.4
69.03440	0.6
70.06576	0.9
70.09063	0.8
70.09436	0.6
72.08144	0.8
81.03385	0.6
83.05004	0.6
84.04488	0.5
85.02901	0.9
86.09705	0.6
98.97569	0.7
109.02883	0.4
113.07119	0.8
119.01865	0.4
127.03924	1.2
137.05951	0.6
143.01945	0.5
173.06561	0.4
253.72676	0.5
275.11090	3.9
317.11743	0.9
329.08984	0.4
335.11902	1.1
350.92578	0.5
355.03271	0.5
357.15176	10.2
359.13165	5.1
359.95209	0.4
401.13940	0.8
419.15259	100.0
420.15527	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49615	0.4
55.18652	0.4
66.93214	0.4
69.03423	0.4
70.06599	0.5
71.51812	0.6
72.08137	0.7
85.02908	0.8
86.09695	1.0
86.20790	0.4
87.05592	0.5
95.08567	0.5
119.08525	0.4
127.03881	0.6
159.11708	0.6
173.06546	0.5
173.12852	0.4
197.93422	0.4
211.74361	0.4
219.01837	0.4
224.90175	0.5
242.77966	0.5
275.11041	4.2
315.08646	0.5
317.11816	0.7
335.11856	1.4
355.40976	0.4
357.15164	11.0
359.13083	3.9
401.14343	0.4
419.15250	100.0
420.15744	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1527
Annotation	Itoside I
Peak:m/z	Relative Intensity
52.58733	0.4
55.05512	0.5
55.94670	0.4
67.69730	0.4
69.03413	0.5
69.84516	1.3
69.84911	0.6
70.06589	1.3
72.08153	0.7
81.03434	0.7
85.02912	1.1
86.09708	1.1
86.14230	0.4
97.02905	0.4
107.08604	0.4
109.02893	0.6
127.03932	1.1
137.05959	0.8
143.01949	0.7
154.61375	0.5
159.11568	0.4
161.02911	0.5
173.06616	0.5
203.04062	0.4
219.01241	0.5
275.11023	4.5
317.11832	0.9
335.11957	0.7
357.15237	9.7
359.13065	5.1
360.24985	0.4
401.14102	0.9
419.15256	100.0
420.15710	1.7
426.04529	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1914
Annotation	Ascleposide B
Peak:m/z	Relative Intensity
55.05486	4.0
55.76408	2.4
58.53439	2.8
66.88899	3.1
68.99812	4.2
69.03423	6.5
69.07047	2.5
70.06579	11.8
70.69804	2.5
70.85941	5.7
71.75703	2.7
72.08148	6.6
74.06037	2.9
81.03423	4.5
81.07033	4.4
85.02903	17.1
85.10162	3.0
86.09721	14.4
87.00809	5.1
88.91778	2.4
91.05476	8.3
95.05016	3.9
97.02880	8.1
99.04419	4.3
104.98508	3.1
105.07038	55.7
109.02876	5.0
111.04438	7.3
116.07130	3.7
117.07023	13.4
119.08565	10.9
121.10149	3.1
127.03915	10.5
129.07030	5.4
130.07773	3.1
131.08598	27.6
133.06470	6.2
133.10130	9.5
137.05945	4.8
139.03941	17.7
142.07784	23.4
144.09334	9.1
145.04930	7.5
145.10089	11.9
147.11694	20.8
149.02367	4.8
149.09610	10.3
157.10139	100.0
159.02971	3.1
159.11703	43.3
161.13254	10.6
163.11218	8.4
171.06558	13.9
175.11191	11.9
177.09102	11.6
177.12794	3.8
179.06982	3.7
191.10692	5.0
195.10158	4.5
203.10667	14.6
221.11746	6.3
232.71121	2.8
357.15109	7.9
359.13101	4.2
401.32635	2.7
419.15256	74.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01883	0.5
55.05515	0.5
57.03417	0.4
57.07077	1.2
58.92931	0.3
61.02925	0.4
63.55457	0.4
65.03945	0.4
67.05511	2.9
69.03426	2.5
69.07069	3.0
69.75381	0.8
69.75794	1.2
71.04981	0.6
73.02934	0.6
79.05500	6.4
81.03414	1.6
81.07059	100.0
82.07393	0.4
85.02907	7.0
87.00822	3.1
93.07057	0.7
95.08613	15.1
97.02888	4.2
98.20821	0.5
99.04485	1.2
105.01869	6.7
108.04485	0.5
109.02853	1.9
109.10207	1.7
118.08970	0.4
127.03919	7.8
129.01839	0.4
137.13264	23.0
145.04958	5.0
154.15912	0.7
155.23346	0.3
159.02930	1.2
231.05000	2.4
249.06154	1.2
284.09851	0.8
395.02689	0.3
405.58359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.1
55.05517	17.6
57.03429	6.5
61.02906	3.4
67.05499	9.0
69.03439	22.2
69.07062	9.4
69.53181	19.9
70.06596	3.4
71.04978	4.3
73.02921	3.2
79.05475	8.2
81.03410	8.5
81.07058	11.5
83.04968	18.7
83.08611	6.0
85.02920	40.0
91.05475	25.8
93.07038	22.5
95.04985	20.7
95.08603	9.4
97.02914	15.6
97.06519	6.3
99.04463	8.1
105.07033	54.3
107.08598	23.7
109.02873	7.3
109.06520	10.3
109.10150	9.7
111.08073	7.3
117.07007	19.7
119.08578	77.7
121.06580	5.1
121.10169	15.8
123.08092	14.6
125.06010	3.3
127.03939	9.0
128.06245	4.7
129.07021	6.3
130.07805	5.5
131.08583	25.7
132.95848	4.7
133.06583	3.0
133.10124	30.3
135.08032	10.6
135.11707	11.1
137.06000	37.1
137.09618	24.6
143.08534	13.7
144.09328	10.4
144.95811	3.2
145.04947	14.1
145.10110	26.5
147.08069	23.2
147.11716	9.5
149.09645	9.9
149.13255	5.7
151.11163	6.7
153.05534	3.1
153.12778	14.0
157.10143	6.5
159.11696	98.9
161.09636	44.4
161.13251	72.2
163.07632	2.8
163.11223	16.9
165.09149	17.8
167.10629	4.9
174.96930	4.4
175.11162	4.8
177.12755	30.7
179.10661	68.5
187.11174	20.9
195.13789	21.2
205.12247	100.0
221.11746	9.8
223.13300	64.6
301.56360	2.9
318.00443	4.3
341.15976	11.2
358.15546	7.1
360.13721	4.6
361.05591	4.4
385.18570	16.8
395.15094	3.5
420.15564	79.1
420.21518	3.9
421.15506	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	420.223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
58.29830	1.0
60.12170	0.9
67.05499	1.8
69.03416	2.5
69.07066	7.1
70.83157	2.6
79.05486	2.1
81.07040	3.3
82.61668	1.0
83.04996	1.4
85.02888	2.7
87.67876	0.9
91.05477	4.8
93.07040	7.2
95.04941	2.2
95.08585	2.7
97.02856	1.2
98.85371	1.0
105.07030	25.2
107.08593	5.6
117.07002	3.9
119.08585	91.9
121.06496	2.2
121.10121	3.4
127.03788	1.4
129.06973	1.1
131.08586	7.1
132.95862	1.3
133.10139	25.0
135.08037	1.5
135.11659	3.0
137.05968	4.0
137.09648	1.2
144.09334	4.8
145.05090	1.1
145.10136	2.2
149.05962	3.9
149.13213	2.2
158.75829	0.9
159.11699	54.1
161.13264	100.0
162.13544	1.1
163.07510	3.2
173.96213	1.1
174.96768	0.9
177.12753	17.7
187.11211	8.5
193.12282	2.5
205.12244	31.3
223.13293	64.7
276.11374	1.0
299.10532	1.0
358.15417	2.6
420.09970	1.3
420.15598	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.4
55.01871	1.4
55.05511	6.0
59.05008	1.6
65.03947	1.6
67.05518	5.8
69.03408	2.5
69.07069	3.4
69.76350	4.5
71.04994	21.6
74.98802	1.0
79.05491	9.8
81.03429	1.7
81.07064	3.7
83.04977	3.6
85.02921	5.6
86.22855	1.1
87.72298	1.2
91.05484	13.6
93.07053	15.6
95.04962	6.1
95.08638	5.8
97.02884	1.8
97.06526	2.8
99.04433	1.5
99.08097	3.2
105.07040	20.9
107.08598	73.1
109.06529	3.1
109.10148	3.4
111.04414	1.7
117.07019	3.6
119.08583	34.8
121.06512	9.4
121.10158	3.3
123.04454	9.1
123.08098	6.1
125.09635	4.2
127.03914	1.5
131.08562	6.4
133.06488	2.1
133.10161	10.2
135.08060	29.1
135.11696	23.7
136.07582	1.7
139.07558	3.5
141.05467	4.0
144.09329	4.0
145.05013	1.6
145.10127	2.0
147.08029	7.7
147.11696	13.2
149.05983	3.1
149.13261	3.1
151.07538	12.7
153.09120	50.8
153.10368	2.7
159.11699	43.5
160.55515	1.3
161.09645	1.6
161.13252	12.4
163.07530	6.2
163.08884	1.2
163.11212	7.8
164.07103	1.9
165.09134	15.1
167.07079	1.5
177.12782	20.7
179.10661	11.3
181.08626	9.2
187.11134	8.2
193.12268	11.7
205.12248	60.5
207.13780	3.5
223.13301	100.0
224.13760	1.5
233.11539	1.2
262.28485	1.2
335.94843	1.3
339.61124	1.4
387.25912	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.5
55.05509	1.5
57.07076	1.3
67.05514	4.0
67.05804	0.7
69.03427	1.8
69.07067	2.1
71.08638	0.8
71.53018	0.7
79.05505	7.0
81.03418	1.5
81.07062	100.0
85.02903	4.0
87.00843	1.9
91.05446	0.7
93.07040	1.7
95.08617	13.6
97.02922	1.7
99.80804	0.9
99.97379	0.7
105.01867	2.1
109.02908	2.0
109.10204	0.7
125.09661	0.8
127.03948	3.3
137.13263	20.4
145.04977	2.5
163.03983	0.9
186.11261	1.2
231.05080	1.7
417.46808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	11.0
55.05499	19.9
57.03437	11.5
57.07059	5.2
59.05006	6.3
67.05512	73.8
69.03456	5.4
69.07058	20.7
71.51702	6.3
74.51166	5.6
79.05504	27.7
81.06589	6.5
81.07060	86.1
83.04971	9.5
83.08620	17.3
85.02911	5.7
91.05469	32.1
93.07053	33.9
95.04961	19.3
95.08620	25.7
97.06519	22.5
97.10194	8.8
105.07011	22.0
107.04952	11.5
107.08600	22.0
109.06528	6.2
109.10160	45.3
111.08073	9.0
116.38158	4.4
117.07026	6.8
118.29946	4.1
119.08556	20.1
121.10134	13.4
125.09643	10.3
131.08546	12.7
133.10126	16.7
135.08037	7.2
135.11688	6.4
137.09618	6.3
137.13252	12.6
143.08606	5.9
145.10115	9.3
149.09654	6.8
149.13266	10.2
155.10703	5.4
159.11694	15.1
171.11710	5.9
173.11743	18.0
177.12746	9.7
193.40169	4.8
202.68469	5.3
223.58342	6.7
227.12634	6.5
229.14374	100.0
249.74710	5.2
259.09778	8.7
269.17450	46.9
275.20084	32.8
309.20490	10.6
329.21262	7.6
344.75842	5.4
349.23920	34.3
367.24829	18.6
403.24728	7.2
412.34274	4.8
415.51208	4.8
421.25443	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	420.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	8.7
55.05508	21.7
56.69877	10.2
59.66092	8.8
67.05498	31.0
69.07067	25.8
69.93488	22.6
69.93903	24.7
73.02917	9.9
79.05481	33.4
81.03411	10.2
81.07074	100.0
83.08673	10.9
85.02911	18.7
89.92728	9.1
91.05482	26.4
93.07032	22.9
95.04987	17.9
95.08623	47.3
97.06557	25.9
97.10197	21.4
105.07030	25.1
107.05020	9.6
107.08610	26.3
109.02874	21.3
109.06568	12.7
109.10154	21.4
110.03183	8.5
117.07018	12.4
117.90761	8.7
119.08562	22.5
121.10169	25.8
123.08085	10.4
123.11720	27.1
127.03913	15.0
133.10117	12.6
134.17479	9.4
135.11699	15.4
137.13301	49.3
138.07660	8.7
139.11201	24.9
147.11697	14.6
149.13194	12.1
157.10211	11.8
157.12247	11.0
164.33870	9.8
169.04807	10.7
251.16508	22.1
291.23212	12.4
295.15210	14.5
303.23291	43.9
309.20474	10.0
309.24149	10.1
321.24228	76.6
324.15469	33.0
329.21088	15.3
339.25302	27.0
420.23318	17.5
420.28214	12.4
421.21814	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01614	0.3
53.03941	1.5
55.01883	0.6
55.05511	1.9
57.03432	0.4
57.07085	0.6
59.50047	0.2
61.02946	0.4
62.71700	0.3
65.03951	0.7
66.17213	0.3
67.05518	3.0
67.29572	0.3
68.99784	0.7
69.03435	5.3
69.07066	2.1
69.16703	0.3
70.06618	0.4
71.04993	0.5
71.52753	0.3
71.53103	0.3
77.90935	0.3
79.05499	6.0
81.03430	2.8
81.07059	5.6
83.04974	2.1
83.08626	0.8
85.02921	0.9
87.00835	2.1
91.05482	6.0
91.06030	0.5
93.07049	3.2
95.04975	1.2
95.08624	2.3
97.02901	2.5
97.06538	2.3
99.04468	0.9
103.05470	0.7
105.01888	0.8
105.07037	7.9
107.04958	3.9
107.08598	17.6
109.02887	4.9
109.06522	2.3
109.10155	6.0
111.04459	0.4
111.08068	0.6
115.05476	1.2
117.07003	1.9
118.07808	0.5
119.06052	0.7
119.08598	4.2
121.06503	2.0
121.10149	11.1
122.07295	5.2
123.04368	0.3
123.08085	1.2
127.03923	11.0
129.07021	0.5
131.08568	3.3
133.10135	100.0
134.10503	0.7
135.08054	6.9
135.11697	1.1
137.09621	55.2
138.09908	0.6
143.08578	0.9
145.04964	0.8
145.10114	1.5
147.08064	0.4
147.11690	2.2
149.09653	1.8
149.13268	7.7
154.17116	0.3
157.10072	0.3
158.10910	1.1
159.11653	0.4
161.09572	0.5
161.13260	0.4
163.03922	0.7
163.14809	1.9
169.04942	0.4
171.11646	0.4
171.60663	0.3
173.09636	0.7
173.13274	6.5
175.11224	0.5
179.07018	0.7
187.11261	0.4
191.14313	48.2
192.14691	0.5
211.13263	0.5
213.03941	3.2
215.07092	0.6
229.15678	0.3
231.04956	1.7
259.09705	2.1
299.16446	0.4
317.17395	1.2
335.18472	0.6
346.16739	0.4
403.17358	1.3
421.18567	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2588
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03933	3.2
55.01874	8.1
55.05515	33.9
57.03436	1.8
59.04966	1.0
67.05180	1.6
67.05509	22.1
69.03429	5.8
69.07063	7.8
69.19328	2.1
69.19736	8.4
71.04980	1.5
79.05493	30.2
81.03410	4.3
81.07061	25.5
83.04987	5.6
83.08626	15.2
85.06506	1.6
85.32156	1.0
91.05488	15.2
93.07041	13.7
95.04972	9.7
95.08609	11.5
95.84635	0.9
97.02876	1.6
97.06531	10.3
97.10175	31.4
105.07039	12.6
107.04958	25.2
107.08599	17.1
109.02906	2.4
109.06527	5.3
109.10175	5.9
111.04475	1.1
111.08083	2.7
113.79336	1.0
115.05449	1.4
117.07006	6.2
119.04886	1.3
119.08581	8.3
121.06505	14.4
121.10118	3.0
122.83520	1.0
123.04438	1.5
123.08070	4.5
125.09642	19.9
127.03930	1.3
129.06998	6.3
131.04915	3.5
131.08560	6.7
133.06508	5.7
133.10133	5.0
135.08054	6.1
135.11690	3.2
137.06064	1.3
137.09718	1.1
139.07495	1.7
141.06972	2.1
142.24649	1.1
143.08551	6.3
145.06485	12.4
145.10092	6.2
147.04402	3.1
147.08022	5.2
147.11693	4.1
149.09636	2.2
153.09097	7.4
153.12808	1.5
155.08598	3.9
157.06541	2.7
157.10115	2.9
159.08041	3.5
159.11707	2.5
161.06006	2.8
161.09601	3.6
161.13280	1.1
163.03979	1.3
163.11195	3.1
168.68361	1.0
169.10153	2.3
171.08057	3.2
171.10255	2.0
171.11671	4.2
173.02342	1.5
173.09598	2.4
175.11182	2.6
177.12796	2.9
181.10179	1.6
183.08043	1.4
183.11732	1.3
185.09604	2.1
185.13272	1.8
187.11067	1.3
187.14833	1.3
189.09464	1.8
189.11223	9.8
189.12729	2.3
193.12195	6.7
195.11749	2.1
197.09654	1.6
197.13315	3.3
199.11166	2.9
201.12717	1.5
203.14282	1.5
205.12276	3.8
211.11256	1.8
211.13260	3.0
213.12776	2.6
215.07051	2.2
215.14259	3.8
217.12242	2.6
223.11255	2.1
223.13261	2.7
225.12830	1.6
227.14308	2.7
231.13895	2.5
233.15355	7.6
235.11308	1.2
235.13231	6.3
237.12793	3.1
239.14334	2.2
241.14384	8.6
243.13718	1.6
244.67377	1.2
245.15312	2.1
249.14955	2.5
255.13809	4.1
259.09662	4.2
259.13309	2.8
273.14859	15.6
284.25665	1.4
287.16556	1.3
291.15894	3.4
329.21078	2.4
331.20474	1.7
339.23352	6.0
349.21616	19.6
357.24042	5.2
367.22690	57.0
385.23743	100.0
386.24365	1.8
403.24780	42.4
404.25195	1.2
421.13596	1.2
421.26401	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.0
55.05511	20.1
55.54080	2.0
57.03447	10.7
57.07067	10.2
62.07265	2.0
64.38205	1.9
67.05508	27.1
69.07069	27.9
71.04990	2.6
71.08616	3.4
71.25580	2.1
71.28844	2.1
71.29169	3.5
79.05489	23.0
81.07059	30.7
83.04971	5.5
83.08621	6.5
85.06555	6.6
85.78077	2.3
91.05490	14.1
93.07056	29.3
95.04984	5.6
95.08614	34.6
95.40371	2.2
97.06561	12.4
105.07049	10.0
107.08602	32.7
109.06519	25.4
109.10162	12.5
111.04460	4.8
111.08074	4.1
117.07065	3.3
119.08604	10.9
121.10137	10.9
123.08102	17.6
123.11733	3.8
125.06001	8.5
131.08583	4.2
133.10143	9.5
135.08061	42.9
135.11719	16.0
137.05991	17.8
145.10135	7.7
147.11742	5.3
149.09663	2.8
149.13304	5.3
151.07587	7.3
153.12753	5.5
157.10112	3.0
161.09602	4.8
161.13243	3.0
163.11198	3.4
163.14905	2.7
165.12733	4.6
167.14336	3.2
171.11731	2.2
175.11208	3.2
177.12688	13.7
179.14384	5.4
181.12244	8.0
193.12308	4.3
217.14342	2.8
221.19077	6.5
235.20468	2.3
249.18336	2.5
253.93047	2.2
263.20172	6.4
287.23709	2.6
305.21362	3.3
305.24741	100.0
319.26343	28.8
329.24902	9.0
337.27524	3.9
347.21490	4.9
347.25806	99.8
365.26941	12.9
393.29980	7.4
403.28876	3.2
421.29562	88.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78892	0.9
53.03936	1.1
55.01863	4.0
55.05514	6.6
57.03440	11.0
57.07078	35.1
67.05507	12.7
69.03422	1.2
69.07069	11.2
70.97423	2.0
71.04980	2.1
71.08621	1.9
74.50996	0.9
78.12843	0.9
79.05491	8.0
81.07062	21.5
83.04967	2.8
83.08596	4.2
84.24461	0.9
85.06071	1.8
85.06548	16.1
91.05487	6.7
93.07044	11.7
95.04972	1.7
95.08611	16.7
97.06530	4.3
97.10162	1.6
105.07030	5.7
107.08608	12.6
109.06519	14.7
109.10159	7.6
111.04446	3.8
111.08107	4.8
119.08575	8.6
121.06461	1.5
121.10147	6.7
123.08082	10.2
123.11682	2.5
125.06023	2.7
131.08592	3.7
133.10114	7.3
135.08070	18.3
135.11696	5.0
137.05977	23.0
137.09604	1.9
139.07562	2.0
144.15865	0.9
145.10104	3.7
147.08061	1.3
147.11679	3.8
149.09610	3.9
149.13268	2.3
151.07553	8.4
151.11151	2.9
153.12738	2.7
159.11713	3.0
161.09668	2.0
161.13271	2.7
163.11166	1.6
165.09061	1.5
165.12759	6.7
167.14325	1.1
171.11749	2.5
173.13223	1.3
175.11206	2.0
177.12755	4.3
179.14339	3.9
185.13333	1.3
189.12837	1.2
191.14323	2.2
193.12292	3.3
195.13698	1.3
203.14346	1.3
205.88084	1.0
207.13846	8.7
233.19052	2.3
245.18898	1.7
263.20157	4.5
277.18076	1.9
277.21512	1.1
291.19577	1.3
298.59073	1.1
301.25409	1.9
305.24707	1.5
307.22552	1.1
319.26343	10.4
329.24710	4.8
337.27335	6.0
347.25824	100.0
348.25989	1.3
353.20856	1.0
365.26852	24.6
393.30023	11.2
403.28329	2.9
421.29514	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	422.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61640	0.3
55.05503	0.8
56.05033	2.6
57.03443	0.4
67.05508	0.8
69.03399	0.4
69.07064	0.7
69.30672	3.0
74.06084	9.4
74.85072	0.4
79.05470	0.8
81.03416	1.3
81.07053	0.7
83.04984	0.7
83.08625	0.5
84.04508	0.7
86.09707	100.0
87.10037	0.5
91.05493	0.8
93.07059	0.7
95.05016	0.6
95.08607	0.9
97.06542	1.0
98.06056	1.4
98.06707	0.3
99.05584	0.6
103.05462	0.7
105.07038	0.6
106.86457	0.3
107.08611	0.9
109.10133	0.9
116.07102	1.3
119.08594	0.8
120.08107	13.2
121.10168	0.7
126.05515	5.3
130.04982	0.8
131.08606	0.5
133.10110	0.6
133.84726	0.4
135.11642	0.5
144.06563	0.6
147.11682	0.4
148.06058	0.6
163.03929	0.6
166.08640	6.0
175.11275	0.4
187.14429	0.4
193.12308	0.8
195.11322	2.7
211.13045	2.5
215.07027	0.5
229.14334	0.5
233.16391	0.5
239.13910	15.3
257.14951	0.5
259.09839	0.7
279.17014	12.3
346.16946	0.4
360.19321	1.7
369.15262	0.4
415.71564	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50200	0.2
56.05048	0.4
57.07083	5.5
58.06604	1.4
60.04499	0.4
60.42016	0.2
62.90409	0.2
65.03937	2.1
67.05497	0.4
69.07063	0.4
69.97355	1.1
70.06597	12.9
71.08633	2.4
73.91708	0.3
74.06083	0.3
79.01858	0.2
81.07057	0.3
81.75088	0.3
83.08606	0.4
83.69447	0.2
84.08148	0.4
85.10181	0.6
88.07637	17.5
91.05470	0.5
93.07075	0.3
102.09187	11.3
121.02872	0.8
139.03941	0.5
149.02356	66.4
149.03419	4.2
150.02692	0.4
150.11800	0.3
165.32257	0.3
193.04976	78.5
194.05254	0.7
212.23695	0.6
256.26364	40.4
257.26645	0.3
377.26233	2.6
422.29025	100.0
423.29468	1.3
440.19391	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	5.2
55.05511	13.7
57.03439	6.6
60.41436	3.4
64.65647	3.6
67.05504	58.8
69.03423	4.2
69.07066	12.0
69.31589	23.9
69.31995	5.7
71.05023	4.5
71.08634	4.2
79.05499	18.8
81.03413	8.9
81.07068	40.0
83.04990	5.3
83.08638	12.9
85.02899	3.9
91.05495	24.6
92.05835	4.2
93.07058	23.9
95.04982	11.0
95.08608	16.8
95.35787	4.1
97.02888	6.0
97.06544	11.1
97.10163	8.8
98.21542	9.0
102.13061	3.6
105.03407	3.9
105.07022	12.6
107.04964	6.1
107.08602	11.6
109.06543	3.8
109.10156	57.0
111.08066	7.4
119.08584	9.4
121.10189	5.3
121.37144	3.7
123.08096	4.0
131.08539	5.1
133.10139	11.8
135.08069	5.3
135.11684	5.2
137.09659	5.2
145.10101	4.6
147.11723	6.0
149.13277	8.1
151.11250	4.6
155.10596	5.9
159.11688	5.2
161.13281	5.9
171.08160	3.7
173.11769	25.4
175.11081	5.0
177.12726	10.2
195.13824	4.0
227.12828	7.0
229.12128	5.5
229.14363	100.0
259.20859	4.8
268.31262	3.7
269.17471	37.3
277.21613	11.8
320.46027	4.2
323.18454	4.6
330.21338	6.3
351.25189	23.8
367.17828	4.7
369.26288	11.3
404.25195	12.1
422.21725	11.5
422.26578	7.9
423.23465	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	422.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80060	5.5
54.97975	5.9
55.05508	23.4
67.05515	40.5
69.03469	6.7
69.07072	41.3
70.06592	7.6
71.03599	12.1
79.05486	22.2
81.03384	9.6
81.07059	83.3
82.07373	8.8
83.04972	7.4
83.08623	12.8
84.04504	18.3
91.05483	17.0
93.06664	4.6
93.07057	45.9
95.04951	21.4
95.08615	60.2
97.06548	18.3
97.10183	16.3
99.08147	6.7
102.05533	6.3
105.07022	19.0
107.08607	29.1
109.10181	31.4
111.08102	17.3
111.11745	8.5
119.08578	14.6
121.06539	7.0
121.10147	23.1
123.11717	54.3
130.04980	12.8
133.10150	9.2
135.11700	11.6
137.13263	23.4
139.11154	17.3
147.11748	8.5
148.06049	11.8
149.13293	40.6
153.12766	8.1
157.10248	5.6
157.12236	23.2
159.11734	6.2
163.14754	10.8
168.17398	5.7
169.12288	11.1
187.13292	31.0
203.12814	16.3
293.24863	19.1
305.24762	100.0
323.25830	70.5
330.21417	21.7
341.27002	9.6
342.19510	6.4
348.39505	6.2
359.27902	22.0
376.71298	6.7
386.05075	7.2
404.25046	20.6
422.26431	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	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
55.05505	0.9
57.07091	0.9
61.01154	7.8
67.05496	1.2
72.04514	11.5
73.02912	2.7
78.03362	0.9
78.03796	15.2
81.03426	1.4
83.04997	2.0
84.04482	0.7
85.02908	10.0
85.06541	1.3
86.06061	2.1
88.02221	6.3
89.71108	0.8
91.59179	0.8
95.04984	1.4
98.02399	1.6
99.04472	5.4
99.05556	4.0
102.03769	24.8
103.02162	2.8
103.03947	14.8
109.02885	3.2
112.07628	0.9
113.06037	1.2
114.03758	3.4
114.05564	1.3
115.05083	1.3
120.04817	4.4
124.07603	1.6
126.05523	16.4
127.03928	9.2
131.06369	10.5
132.04788	13.8
141.06567	1.8
142.08633	5.1
146.02704	1.3
147.05945	1.2
149.07448	48.2
152.07079	2.6
154.08630	1.9
156.06529	1.4
159.05905	3.0
175.05351	3.3
180.06569	11.6
184.09779	1.8
198.07584	3.3
212.35681	0.8
215.65321	0.7
216.08759	1.4
219.49542	0.7
231.11577	2.9
233.09492	0.8
242.10074	1.2
243.11523	1.0
256.11600	0.9
257.09412	1.6
259.10757	1.1
261.12766	4.6
275.10535	1.9
293.11670	100.0
318.14270	0.9
405.12646	2.5
405.17001	31.9
406.17325	1.0
410.10327	0.8
423.13989	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	423.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.05509	2.9
57.03424	3.7
57.90781	1.7
61.02918	1.6
63.55093	1.5
63.92077	1.7
69.03431	15.8
69.07038	2.8
70.06593	4.0
71.04977	5.0
71.51836	2.1
72.08160	3.8
73.02935	2.5
79.05489	10.0
81.03422	20.2
81.07059	61.0
82.03721	2.1
84.08111	2.2
85.02905	72.1
86.09688	4.3
91.05486	3.2
93.07038	2.3
95.08626	1.8
97.02899	17.2
97.06522	3.2
99.04458	39.5
99.08093	13.9
103.03944	92.3
106.02914	3.7
109.02879	18.8
111.04379	1.5
115.03992	1.6
117.09133	65.8
119.04947	1.8
119.08613	2.2
120.08115	3.9
123.08078	2.1
124.03973	6.7
125.04259	3.1
127.03918	100.0
128.04228	1.9
131.04843	1.6
135.93701	1.4
137.02318	7.4
138.02693	2.2
145.04959	59.0
163.06017	47.8
187.06065	3.9
199.73018	1.5
205.07019	2.0
207.13721	1.9
251.07458	3.2
268.08163	2.8
269.08423	3.6
271.08182	3.9
289.09149	2.8
307.10196	6.8
313.08102	2.3
331.09103	2.5
423.10678	5.6
423.16299	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.5
55.01863	9.9
55.05308	2.9
55.05517	31.7
55.40104	3.0
57.03436	4.5
57.07085	4.5
65.03941	5.3
67.03826	3.0
67.05510	83.3
69.03432	19.1
69.07082	21.9
70.06543	3.3
71.04977	8.6
71.52668	3.9
73.02909	3.7
79.05500	86.0
81.03418	19.1
81.06593	6.0
81.07057	92.2
81.94562	3.3
83.04974	6.0
83.08614	13.0
85.02900	6.9
85.06544	4.7
91.05489	51.8
93.06485	6.5
93.07050	100.0
95.04977	9.6
95.08616	79.8
97.02898	91.7
97.06527	6.2
97.10163	5.5
99.04464	23.8
99.08113	3.1
105.04560	3.6
105.07037	47.2
105.21902	3.7
107.04897	3.4
107.08608	53.2
109.02876	15.1
109.06515	10.4
109.10161	36.8
111.08064	5.5
117.07047	19.0
119.08593	37.8
119.98617	3.1
121.10153	58.2
123.08086	17.2
123.11692	13.1
127.03935	32.6
128.06160	3.6
129.07034	4.1
131.04895	4.0
131.08578	34.9
133.10149	30.3
135.08110	5.7
135.11696	33.0
137.09578	5.3
137.13287	4.4
143.08542	5.0
145.04904	5.4
145.06523	4.5
145.10123	25.3
145.61037	3.1
147.11693	16.3
149.09592	3.9
149.13268	17.8
150.62273	3.4
153.86159	3.0
157.10132	7.2
159.08060	7.5
159.11690	17.8
161.13254	16.6
163.14804	5.0
169.10074	4.2
171.04066	3.3
171.11720	5.6
173.09616	4.1
173.13264	14.7
175.14836	9.4
177.16290	4.0
179.14244	18.6
183.11613	3.3
184.07336	5.3
187.14812	8.7
199.14906	3.9
201.16551	3.9
217.11981	3.0
243.21085	11.2
245.77483	3.6
259.20517	9.0
261.22192	56.6
329.24695	8.0
331.26382	6.5
339.23251	8.9
357.24319	10.6
405.26300	4.0
423.26483	10.8
423.31876	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
53.95652	3.0
54.59105	3.1
55.01865	9.7
55.05519	28.9
55.86562	3.1
57.03429	11.8
57.07076	8.4
62.74860	3.3
65.03942	4.8
67.05507	100.0
69.03433	27.5
69.07069	26.0
70.97791	3.2
71.01366	3.4
71.05002	7.6
73.02879	5.4
79.05495	49.9
81.03421	28.8
81.07060	91.3
83.04972	10.0
83.08612	16.7
85.02915	13.8
85.06545	7.4
88.09853	3.4
91.05482	55.1
91.24757	3.1
93.07046	64.6
95.04971	13.9
95.08046	5.8
95.08614	55.1
97.02891	10.0
97.06533	11.6
97.10126	4.7
99.08122	5.6
103.03973	4.6
103.05480	3.4
105.07035	40.1
107.04960	6.0
107.08610	46.9
109.02894	7.1
109.06532	20.9
109.10172	44.6
111.04464	8.3
111.08096	7.6
113.09701	3.7
115.03907	4.9
115.93216	4.2
117.07030	22.1
119.08585	42.9
119.34549	3.5
121.06499	8.3
121.10152	36.3
123.08078	34.7
123.11751	9.7
128.06242	5.0
129.07008	13.3
131.08615	32.7
133.06464	5.4
133.10152	29.8
135.08084	9.1
135.11670	18.1
137.09625	8.4
143.08585	13.9
145.10130	25.5
147.08095	5.2
147.11685	26.8
149.06052	5.1
149.09648	8.9
149.13231	19.3
151.07568	6.5
155.08562	9.0
155.51797	3.3
157.10155	12.1
159.08072	4.3
159.11725	21.9
161.13272	9.2
163.11209	7.9
163.14857	7.5
169.10101	5.9
170.91150	3.7
171.11732	9.2
173.11853	7.5
173.13272	16.1
175.14864	6.8
177.12759	6.1
179.14293	45.8
180.98778	3.3
183.11775	8.5
184.07347	3.7
185.13327	9.2
189.12691	4.3
191.14316	4.5
195.13766	3.5
197.13345	7.5
199.14835	4.9
201.13188	3.7
201.16490	3.6
219.13789	3.8
241.19563	5.0
241.71916	4.4
258.53085	4.1
259.20578	9.2
261.22046	9.5
273.22058	4.7
277.21594	7.7
285.22220	4.0
291.23083	4.4
299.10553	3.9
301.21585	5.6
303.23169	12.4
315.16336	4.8
315.23245	5.0
319.22775	5.7
331.22647	5.3
331.26117	20.6
333.17416	5.8
341.24661	8.1
349.27328	5.9
369.20224	4.1
369.24179	26.0
387.25357	23.6
405.26358	30.7
423.26697	20.8
423.31851	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67088	1.0
53.35783	1.1
55.05506	4.6
57.03749	1.1
57.07080	5.4
60.07576	1.1
62.62720	1.1
63.81587	1.2
67.05521	7.1
69.07072	8.7
71.08627	4.0
71.53662	2.5
77.05116	1.1
78.29371	1.1
79.05497	3.9
81.07059	13.0
83.08611	2.9
85.06551	1.9
89.06024	2.2
91.05477	3.8
93.07053	8.4
95.08607	12.3
99.08092	2.5
99.15237	1.2
105.07031	4.3
107.08588	9.0
108.33963	1.1
109.06523	16.6
109.10156	6.2
119.08588	6.6
121.10143	4.8
123.08070	24.9
123.11728	2.7
127.11250	1.3
131.08577	2.5
133.10135	4.3
135.08055	7.1
135.11673	3.4
143.08594	2.1
145.10146	4.0
147.11705	3.7
149.13322	1.4
159.11685	2.6
161.13277	2.3
165.12750	1.8
173.13266	1.5
177.12698	2.5
179.14320	63.4
186.71931	1.1
203.18022	1.6
205.15927	3.3
273.12222	1.5
275.20114	2.5
303.26822	1.8
331.26312	22.7
349.27649	5.7
351.93478	1.2
423.31091	100.0
423.35965	4.8
424.31396	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41898	0.6
53.03948	0.6
53.23050	0.6
55.01867	1.4
55.05515	4.2
57.03427	2.3
57.07065	2.1
67.05502	7.0
69.03445	0.6
69.07071	6.5
69.41783	4.7
71.04991	1.2
71.08615	2.3
79.05497	5.5
81.07059	11.5
83.08630	2.8
85.06523	1.6
91.05471	2.7
93.07045	6.1
95.04988	0.6
95.08604	8.7
97.06540	2.3
97.10154	0.9
98.20844	1.3
99.08080	0.7
105.07038	3.4
107.08585	6.0
109.06527	12.4
109.10159	3.6
111.08086	1.4
119.08578	5.3
121.10121	3.2
122.07276	0.7
123.08071	37.7
123.11704	1.6
131.08560	1.3
133.10114	3.5
135.08043	6.4
135.11679	1.5
137.09612	2.3
137.13339	0.7
145.10121	2.2
147.11664	1.9
149.09637	2.2
149.13255	1.9
151.11221	0.8
159.11719	1.8
161.13350	0.9
163.11223	1.0
165.12848	0.7
173.13243	0.9
175.14864	0.9
177.12799	1.6
179.14314	33.8
191.14317	1.0
193.15892	1.1
196.49173	0.6
200.30450	0.6
205.15984	0.8
263.20041	1.0
266.54077	0.6
275.20044	3.0
293.21051	1.6
303.26917	2.5
307.22665	0.7
331.26340	25.1
349.27374	7.5
357.10956	0.7
367.25015	0.9
405.30173	1.0
423.31055	100.0
424.31427	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	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
55.01873	0.7
55.05514	3.9
57.03439	1.5
57.07070	1.5
62.80928	0.6
65.03942	0.6
67.05510	6.9
68.98734	0.5
69.07076	5.8
70.60892	1.3
71.05013	0.8
71.08635	1.5
75.04486	0.6
76.68197	0.5
79.05505	4.1
81.07063	10.0
83.04961	0.9
83.08616	3.1
85.06560	1.4
91.05480	3.4
93.07053	6.7
95.08607	8.9
97.06532	1.9
97.10186	1.0
98.21364	0.7
99.08118	1.3
99.65153	0.5
105.07055	2.7
107.08579	6.7
109.06532	11.3
109.10151	4.3
111.08093	1.7
116.72021	0.6
119.08611	4.4
121.10123	3.5
122.07356	0.6
123.08072	36.9
123.11734	1.3
131.08618	1.5
133.10121	3.1
135.08066	7.9
135.11716	1.7
137.09612	2.0
143.08577	0.8
145.10167	2.5
147.11702	2.6
148.65335	0.5
149.09613	2.5
149.13295	1.6
159.11717	2.4
161.13301	0.8
165.12787	1.1
173.13263	1.0
177.12770	3.6
177.18367	0.5
179.14322	30.3
193.15912	0.8
199.14793	0.6
205.15881	1.8
233.19080	1.1
247.20569	1.4
263.20154	1.2
275.20193	3.6
282.98859	0.6
289.25153	0.8
293.21243	0.7
303.26880	4.0
313.25180	1.0
331.26321	30.3
332.26947	0.7
349.27417	1.2
367.24844	2.1
405.29816	0.8
423.31094	100.0
424.31473	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87276	0.5
53.03943	0.6
53.70048	0.5
55.05518	3.8
57.03431	1.1
57.07079	4.7
58.70881	0.5
65.75675	0.6
66.69849	0.5
67.05511	5.2
69.03401	0.5
69.07069	5.1
71.05000	0.9
71.08648	4.2
73.51017	0.5
74.43763	0.5
79.05096	0.7
79.05484	4.0
79.15071	0.5
79.22550	0.5
79.83756	0.5
81.06596	0.6
81.07059	11.4
83.04958	0.6
83.08617	2.1
85.06529	2.2
89.06037	0.6
91.05480	3.2
93.07042	5.8
95.04951	1.0
95.08066	0.8
95.08615	9.8
97.06519	1.6
97.10157	1.1
99.08077	1.5
103.18991	0.5
105.07043	3.4
107.08595	5.5
109.05810	0.8
109.06527	14.8
109.10175	3.7
111.08085	0.7
117.07042	0.8
119.08566	4.3
121.10154	2.9
122.07292	1.3
123.08075	27.4
123.11695	2.0
131.08554	1.3
133.10139	2.6
135.08038	7.0
135.11691	1.7
137.09596	1.8
137.13225	0.9
145.10143	2.1
147.11691	2.0
149.09631	1.8
149.13203	1.2
157.10086	0.9
159.11693	1.3
161.09552	0.6
161.13293	1.3
163.11105	0.7
165.12701	1.4
167.14333	1.1
173.13188	0.6
175.14896	0.8
175.71556	0.5
177.12779	1.3
179.14319	73.0
180.14633	0.7
185.13287	0.7
191.14342	1.1
193.15918	2.1
205.15891	2.1
233.18965	0.9
275.20084	1.8
289.21466	0.5
289.25287	0.9
303.26855	1.9
313.25418	0.9
331.22391	1.2
331.26334	23.5
336.18762	0.5
349.27359	5.4
367.24875	1.1
405.29974	1.3
423.31070	100.0
424.31360	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	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01868	0.5
55.05513	4.9
57.03428	2.4
57.07080	3.2
67.05509	7.1
69.07071	6.2
69.76260	3.0
71.05001	1.0
71.08621	2.5
79.05496	4.7
81.07056	11.5
83.04976	0.8
83.08624	3.5
85.06545	1.5
91.05503	2.8
93.07053	6.8
95.04943	0.6
95.08054	0.9
95.08611	9.7
96.29800	0.5
97.06536	1.8
97.10174	0.8
99.08104	1.4
105.07025	6.2
107.08598	7.4
108.18290	0.5
109.06521	11.6
109.10157	4.9
111.08073	0.9
117.07050	1.0
119.08585	5.9
121.06506	0.5
121.10145	4.6
122.07265	1.2
123.08074	28.2
123.11692	1.9
125.09651	1.1
131.08586	1.8
133.10132	4.6
135.08034	5.8
135.11703	2.7
137.09613	1.9
137.13254	0.7
145.10144	2.5
147.11671	2.5
149.09616	1.9
149.13284	2.4
151.11206	0.6
157.10149	1.0
159.11732	3.4
161.13306	1.4
163.14812	0.9
165.12727	0.8
167.14362	1.1
171.11707	0.8
173.13278	1.5
175.14874	1.6
177.12761	2.2
177.16460	0.7
179.14317	48.8
187.14857	0.8
189.16353	0.7
191.14346	0.9
193.15913	2.0
201.16437	0.9
203.17953	1.2
205.15897	2.4
210.52249	0.6
215.17888	0.7
217.19533	1.0
219.17401	0.5
233.18996	1.3
247.20534	0.8
263.57068	0.6
274.62753	0.6
275.20166	2.2
289.21616	0.7
289.25302	0.9
293.21106	1.4
303.26898	1.4
331.22391	1.2
331.26328	24.6
349.27359	6.2
367.25027	1.1
405.30014	1.5
420.38135	0.6
423.31079	100.0
423.35345	3.8
424.31363	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	2.5
55.05522	15.1
55.22235	1.9
57.03430	4.4
57.07074	7.7
67.05515	20.6
69.03434	7.8
69.07075	24.9
71.04980	2.8
71.08619	3.2
79.05485	13.6
81.07059	49.9
81.20376	1.7
83.08607	10.7
89.06041	1.9
91.05449	10.6
93.07055	32.6
95.05003	2.5
95.08610	59.9
96.64064	2.1
97.06531	7.0
97.10194	4.2
105.07028	26.9
107.08601	46.3
109.06560	11.5
109.10159	37.3
111.08109	2.3
117.07036	3.9
119.08582	31.0
121.10149	39.8
123.08080	37.7
123.11710	14.0
125.09634	6.4
127.11261	2.9
131.08539	11.3
133.10139	23.1
135.08087	7.6
135.11703	27.6
137.13239	3.8
143.08615	3.1
145.10168	14.4
147.11693	24.3
149.09621	3.3
149.13248	18.9
157.10149	3.8
159.11694	23.0
161.13280	11.1
163.14815	8.0
165.09123	4.8
165.12735	2.1
171.11673	3.4
173.13292	11.4
175.14867	10.4
177.12756	3.4
177.16389	3.5
179.14317	49.7
187.14838	9.5
189.16417	11.8
191.17947	40.3
193.15941	3.4
199.14812	2.5
201.16396	11.1
203.14441	2.8
203.17995	13.6
205.15927	5.2
205.19551	4.9
213.16461	3.1
215.17886	10.1
217.19559	13.6
219.17427	2.6
227.17981	3.6
229.19501	4.3
233.18866	2.2
239.14931	2.4
243.20992	3.1
257.22589	3.2
275.20169	2.3
293.21063	2.4
331.26349	25.9
332.26718	2.4
346.12885	2.1
349.27371	6.0
405.35391	6.0
407.90186	2.0
423.31012	100.0
423.36273	32.2
424.31406	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	424.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01867	6.4
55.05502	1.8
57.03442	1.5
57.07077	1.0
62.73870	1.0
63.09499	1.0
67.05496	3.8
69.03441	5.6
69.07063	7.3
70.76018	1.8
70.76329	1.2
71.04991	2.6
73.28733	0.9
79.05499	5.9
81.03426	9.2
81.07054	10.6
83.04977	1.9
85.02906	4.4
85.06546	4.6
86.09710	2.3
91.05482	2.2
92.64719	0.9
93.07053	15.1
95.04980	3.4
95.08608	6.8
97.02935	1.0
97.06532	8.3
99.04461	7.2
105.07036	11.6
107.04918	1.1
107.08596	29.5
109.02878	8.4
109.06538	6.1
109.10165	1.3
111.08082	3.5
113.06015	4.2
117.07008	2.2
119.08601	3.6
121.06511	6.5
121.10145	13.8
123.08048	5.1
125.00085	1.5
127.03915	7.5
127.07569	1.6
131.08566	1.1
135.08070	1.6
135.11688	7.4
139.07532	1.1
139.11208	2.0
145.10121	10.7
147.11671	1.8
149.09622	7.4
151.07541	6.1
152.85820	0.9
153.12675	1.3
157.08641	1.3
163.03943	1.0
163.11183	29.5
165.12758	1.6
167.10693	13.2
169.08615	64.2
173.09650	2.7
181.12209	14.6
184.07330	6.6
185.11731	3.1
191.10681	14.7
209.11722	23.2
227.12793	100.0
228.13206	1.3
245.13808	2.2
259.96152	1.0
269.13916	3.3
289.14346	1.3
335.14880	3.6
353.15924	13.9
371.16998	13.3
389.18005	1.6
406.43079	1.1
424.20898	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.05523	1.1
57.03439	2.0
61.02933	2.1
69.03442	8.3
70.17184	2.2
70.17597	1.6
71.04993	4.4
73.02923	1.6
79.05518	1.2
79.27715	0.7
81.03429	11.4
81.07079	1.0
83.04983	0.9
85.02914	67.1
87.04464	1.3
92.67380	0.9
93.07062	2.0
93.15432	0.8
95.08619	1.0
97.02907	16.0
97.06547	0.9
99.04466	33.7
103.03953	91.8
105.07012	1.0
107.08606	1.7
109.02889	14.0
121.06548	0.8
121.10178	1.8
126.40862	0.7
127.03930	100.0
145.04973	62.9
145.10123	1.1
163.06032	60.2
163.11226	1.7
167.10741	1.8
169.05005	0.8
169.08624	2.0
181.12233	1.2
187.06047	6.1
191.10614	1.4
205.07086	5.2
209.11737	1.8
227.12799	6.3
253.07074	1.5
271.08127	7.0
289.09198	8.0
307.10269	15.5
324.69659	0.9
338.55167	0.9
353.15939	1.1
371.16922	1.2
389.18301	4.2
406.12997	0.9
406.18234	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87564	1.5
55.01874	6.7
55.05503	3.5
57.03423	1.7
60.20957	1.6
67.05493	5.8
69.03424	8.8
69.07070	8.1
70.06594	3.5
71.04990	3.8
71.52279	1.9
79.05492	6.7
80.77090	1.6
81.03415	11.2
81.07054	14.3
83.04961	3.3
83.08607	1.8
85.02914	7.9
85.06536	4.8
86.06010	2.2
86.34739	1.4
87.04467	4.3
91.05476	6.1
93.07052	19.2
95.04958	5.9
95.08605	7.4
97.02902	10.8
97.06526	8.5
99.04467	9.6
102.05537	1.4
104.07108	3.6
105.07034	14.2
107.04961	2.1
107.08593	30.4
109.02892	9.7
109.06532	7.4
109.10146	2.8
109.95444	1.4
111.08098	4.1
113.06062	1.7
117.07021	2.2
119.08577	7.3
120.08142	1.8
121.06511	10.4
121.10153	17.8
123.08073	4.9
123.11676	2.0
127.03932	12.0
127.07547	2.5
131.08595	1.8
133.10091	3.5
135.08066	3.0
135.11703	8.7
139.11163	3.4
143.08592	1.5
145.04988	1.8
145.10120	14.6
147.11670	3.1
149.05984	2.2
149.09579	9.4
151.07564	5.8
162.05513	100.0
163.11183	38.9
165.12735	3.8
167.10687	14.1
169.08595	55.7
173.09547	3.0
176.06978	1.6
177.05496	6.0
181.12199	10.2
183.62679	1.5
185.11711	3.0
191.10690	20.6
191.14284	5.7
209.11748	19.4
209.15387	6.0
225.23799	2.0
227.12794	98.6
227.16434	7.7
245.13657	1.8
249.21761	1.7
262.39719	1.6
269.13873	2.3
283.15381	3.0
335.14841	4.0
353.15927	11.6
371.17059	14.9
384.52646	1.7
389.17999	5.4
424.13269	1.8
438.99011	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
53.68159	2.0
55.01849	2.5
55.05507	5.9
57.03420	3.2
59.04997	2.4
61.02927	5.5
61.92707	2.2
67.05499	3.6
69.03423	7.4
69.07061	5.1
69.28016	18.0
70.06592	4.1
71.04988	6.6
76.59803	2.0
79.05473	3.4
81.03401	4.8
81.07066	15.0
83.04963	5.1
83.08608	3.7
84.04500	7.9
85.02908	24.2
85.06532	8.7
86.09702	5.2
87.04479	3.3
91.05475	7.6
93.07050	13.7
95.04987	13.3
95.08599	13.3
97.02885	6.1
97.06535	7.6
98.06071	2.8
99.04478	2.6
104.07113	2.4
105.07043	22.8
105.37184	2.1
107.08608	32.2
108.04440	2.1
109.02895	3.4
109.06535	12.9
109.10159	12.7
111.08059	3.2
118.67834	2.3
119.08582	17.6
120.08121	5.0
121.10147	100.0
123.08086	5.6
123.11720	10.8
127.03916	9.6
131.08575	8.1
133.10132	28.2
135.08043	5.0
135.11658	7.4
139.11185	5.3
145.04959	9.9
145.10126	4.9
147.11705	21.3
149.13226	8.2
149.45818	2.3
151.11168	5.2
153.09103	10.9
163.14841	4.7
164.07036	2.8
165.12738	29.9
166.08652	4.7
167.14297	5.0
173.13298	21.9
175.14839	25.3
183.13844	13.4
190.65691	2.1
191.14319	38.0
193.15886	10.8
209.15373	60.0
227.16431	29.8
262.14365	2.5
352.31201	2.3
416.13980	2.3
424.09363	7.8
425.10596	5.5
425.17596	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35860	0.9
53.03941	1.7
55.05512	14.8
57.03432	0.9
57.07077	1.5
58.06600	1.6
63.31386	0.9
67.05499	4.9
69.03419	3.2
69.07070	5.2
70.06575	3.8
70.34970	1.0
71.04977	1.4
71.52087	1.4
72.08140	1.8
79.05474	3.9
81.07059	5.8
83.04987	8.2
83.08619	12.2
84.04498	1.6
85.02915	5.4
85.06529	3.1
86.09708	4.9
87.04482	1.6
89.19272	0.9
91.05479	3.6
93.07040	14.1
95.04959	8.2
95.08597	4.5
97.02883	2.3
97.06516	3.6
97.10154	3.1
98.06041	2.4
98.97571	2.1
99.04475	2.8
99.08090	1.3
105.07015	4.0
107.08589	16.7
109.06509	3.9
109.10150	8.3
111.08076	3.3
115.07571	7.9
116.98624	1.0
119.08611	5.0
119.20524	1.1
120.08124	1.0
121.10146	42.2
123.11701	3.7
125.09647	2.9
127.03920	2.9
131.08554	3.0
133.10141	8.8
135.08037	2.2
135.11696	3.7
136.07527	2.3
139.11195	1.5
145.10107	1.9
147.11705	3.8
149.09589	2.0
149.13234	3.1
151.11198	13.6
153.09077	5.2
158.99696	1.6
159.11639	1.8
161.04688	6.0
163.14804	11.7
167.14322	15.4
173.13249	7.0
175.14815	3.0
176.07066	9.3
188.20438	1.0
191.14323	15.2
203.31148	1.0
209.15361	100.0
210.15746	1.1
215.13957	1.2
227.12833	1.3
227.16449	15.4
260.84601	1.1
265.30670	1.0
362.21616	1.6
388.23175	1.6
408.60757	1.3
425.17752	13.8
428.88776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.3
55.01855	3.0
55.05523	14.1
57.07074	5.7
67.05505	25.1
69.07067	12.8
70.87566	5.3
79.05492	48.4
81.07069	30.0
83.08603	5.9
89.06020	6.5
91.05484	27.7
93.07054	69.6
95.08612	25.1
105.07027	12.7
107.08607	35.8
109.10156	12.3
110.03214	2.9
113.06035	4.8
119.08579	11.7
121.10148	35.5
123.11752	4.1
131.08546	3.6
133.10149	10.8
135.11720	33.5
145.10094	4.2
147.11716	7.7
149.13281	18.3
151.79105	3.0
159.11719	4.7
160.18393	3.0
161.13208	4.3
163.14899	6.0
171.11743	3.6
173.13257	3.1
185.13234	3.0
195.13863	3.9
195.16307	2.8
221.15179	4.5
241.19392	3.4
259.20538	5.9
261.22696	3.5
277.21646	100.0
300.30307	3.0
423.11057	3.2
424.31451	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	425.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
64.81326	0.4
69.03411	1.0
70.02095	1.7
70.44159	0.5
70.99375	0.5
70.99822	0.7
73.06635	0.6
74.04134	0.5
82.99828	2.8
85.02879	1.1
88.93053	0.5
92.09728	0.5
94.99885	0.6
97.02886	1.5
101.00880	17.4
109.02854	0.5
113.00896	4.5
113.03486	1.0
119.01936	12.2
127.02409	4.1
129.03893	0.5
131.01909	7.3
137.00836	0.7
139.02415	2.2
143.01903	39.1
145.03459	8.5
153.04041	0.7
155.01894	15.4
157.03479	5.1
161.02969	34.7
167.01901	11.7
169.03493	3.7
171.05028	2.3
173.02974	15.3
175.04472	1.3
179.01881	4.5
181.03488	0.8
185.02972	30.3
186.03116	0.7
187.04510	2.9
191.04007	3.7
197.02972	12.8
199.04564	0.7
203.04027	13.9
209.02988	0.8
212.57245	0.5
215.04021	7.1
221.05069	0.9
227.03998	8.5
233.05118	1.1
245.05080	100.0
246.05237	1.9
257.05038	5.8
263.06149	23.5
275.06137	12.4
293.07214	2.3
305.07181	10.5
310.88336	0.6
317.07434	0.6
335.08264	3.7
337.18039	0.6
365.09348	9.6
425.11789	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	425.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91311	0.6
63.28602	0.5
66.28471	0.6
71.02255	0.5
71.02576	0.7
78.44170	0.5
82.99870	1.7
83.90747	0.5
86.47305	0.6
92.96187	0.6
94.93008	0.7
97.02891	0.7
97.57234	0.6
101.00885	16.0
109.02845	0.6
112.89603	1.4
113.00848	4.0
114.39951	0.5
114.89332	0.8
115.02434	0.7
119.01924	16.2
127.02414	3.1
131.01913	7.0
133.03430	0.5
137.02951	1.2
139.02373	1.3
143.01903	34.5
144.02058	0.5
145.03459	7.4
147.01411	1.1
155.01901	14.0
157.03461	4.4
161.02966	37.9
162.03152	0.9
163.04482	0.9
167.01901	10.5
169.03467	3.1
171.05006	1.8
173.02960	15.6
175.04538	0.9
179.01860	4.6
181.03522	0.5
183.55518	0.6
184.04567	1.8
185.02965	32.9
186.03104	0.6
187.04523	3.2
191.04005	3.8
197.02966	12.4
198.03107	0.6
203.04015	13.8
209.02977	1.8
215.03981	5.7
221.02994	0.6
221.04953	1.2
227.04019	7.4
245.05083	100.0
246.05298	2.3
257.05035	4.8
263.06134	22.8
264.06161	0.6
268.98187	1.5
275.06119	15.2
275.08960	1.1
293.07132	3.4
305.07162	10.7
317.07013	0.9
335.08218	3.7
365.09238	9.4
425.11713	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	425.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.8
55.05525	7.0
56.35580	1.5
57.03442	1.9
61.02916	3.1
67.05513	2.5
69.03436	13.9
70.06602	3.5
71.05001	4.4
71.05489	1.6
72.08135	1.6
73.02924	1.6
81.03429	13.4
81.07046	3.6
83.04978	1.7
83.08626	11.1
84.04499	4.1
84.09002	1.5
84.58649	1.3
85.02911	71.0
86.09689	6.8
87.10065	1.6
88.03997	1.8
89.84480	1.4
91.05474	4.2
95.04993	8.0
95.08613	2.1
96.05293	2.6
97.02908	17.9
97.06503	1.7
98.97614	3.1
99.04466	39.8
99.08092	3.0
101.09650	6.4
101.95551	1.3
103.03951	87.8
105.07045	3.6
107.08584	3.2
109.02895	15.8
109.10149	2.4
111.04455	1.9
111.08107	1.6
117.95353	1.4
119.04971	2.2
119.08581	2.8
119.10756	1.9
120.08116	1.8
121.06431	1.9
121.10150	2.3
122.10556	1.6
125.09614	2.4
127.03931	100.0
132.10165	3.4
133.10312	2.0
136.07578	9.1
137.05965	1.7
137.07906	3.4
139.81470	1.5
145.04970	54.7
147.04333	1.8
149.05940	3.8
151.11226	2.4
153.09036	2.4
163.06026	42.0
165.05496	5.8
167.14372	2.8
175.14827	1.4
177.05440	3.9
181.06668	1.6
187.06050	5.4
205.07082	4.3
209.15384	9.4
210.15744	20.3
227.16412	2.1
243.40848	1.8
245.08026	1.3
266.12253	1.6
271.08118	4.4
289.09210	3.3
296.17007	1.4
307.10327	6.5
407.17352	1.7
425.08978	7.2
425.17950	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	425.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.91312	1.2
57.03425	2.8
58.07861	1.1
61.02924	1.6
66.83817	1.2
67.05494	1.8
69.03441	11.2
69.07085	1.2
69.58015	5.5
70.03717	1.4
71.04984	4.3
73.02917	1.8
79.05498	2.0
81.03422	15.9
81.07058	1.8
83.04985	2.8
85.02908	72.4
86.09703	2.1
87.04446	1.2
91.05469	2.8
92.80063	1.2
93.07018	2.7
95.04963	1.8
95.08612	1.4
95.32421	1.2
97.02904	22.4
98.09681	1.5
99.03854	2.2
99.04460	37.0
100.11271	2.0
103.03948	98.4
105.07021	3.4
107.08584	1.7
109.02888	14.8
109.06505	1.5
109.10161	2.3
111.04469	1.2
119.04837	1.2
119.08585	1.5
127.03923	100.0
129.07030	1.3
131.08698	1.3
133.10158	1.7
137.09608	1.4
145.04970	62.4
157.10080	1.6
158.97394	1.4
163.06026	44.0
163.07399	2.5
165.12639	1.2
169.20789	1.2
182.15346	1.9
187.06010	5.5
187.07503	1.3
187.11375	1.4
205.07106	3.6
210.14885	1.9
245.15387	2.3
263.16476	3.3
271.08112	3.8
278.65826	1.4
307.10159	4.5
331.74423	1.3
339.05234	1.6
339.14011	1.8
346.16553	1.7
422.77167	1.3
425.13980	5.0
425.33109	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03943	3.9
55.05509	20.0
57.07057	13.1
67.05508	31.0
69.06738	3.6
69.07069	46.7
69.55882	5.9
69.56298	16.8
71.08614	7.0
79.05483	12.3
81.07060	61.1
83.08624	16.6
85.06541	3.1
89.06031	5.0
91.05466	15.7
93.07039	31.0
95.04967	4.0
95.08609	87.1
97.10194	4.5
98.20760	5.4
105.07042	34.7
107.08590	46.9
109.10152	60.3
111.08080	5.0
111.11697	4.5
117.07025	6.1
119.08591	37.7
121.10155	41.0
123.08031	7.7
123.11702	35.5
131.08612	17.5
133.08591	5.5
133.10144	25.2
135.11707	25.8
137.13229	13.7
143.08508	6.3
145.10121	19.9
147.11673	26.0
149.13232	21.0
151.14806	4.7
157.10100	9.2
159.11690	18.0
161.13255	25.6
163.14822	18.9
165.12741	3.6
171.11650	6.7
173.13257	13.6
175.14839	16.2
177.16377	11.8
185.13232	7.1
187.14769	23.3
189.16402	11.9
191.17918	13.1
197.13229	3.5
199.14836	4.3
201.16393	11.5
203.18004	15.4
205.15894	4.9
205.19524	8.3
213.16457	6.7
215.17966	8.3
217.19496	12.8
219.21025	4.9
227.17892	8.1
229.19427	5.0
231.21132	4.3
241.19626	4.8
243.20959	5.0
245.19061	6.6
245.22571	6.5
255.21033	7.1
259.20679	4.4
269.22607	8.0
273.22003	4.5
285.25467	3.5
287.23608	5.3
313.25137	4.4
315.26926	3.6
393.74927	3.3
407.36700	40.6
425.21344	11.0
425.31763	13.8
425.37772	100.0
436.41904	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	426.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.8
57.03434	1.2
60.41843	1.2
61.02912	2.7
62.72553	1.3
69.03432	12.4
70.06585	3.2
70.42753	1.6
70.43111	4.9
71.04991	4.0
73.02906	3.9
81.03432	16.0
83.44737	1.6
84.04472	1.3
85.02909	70.5
85.06529	5.4
85.87656	1.2
87.04467	1.5
91.05479	1.5
91.75886	1.4
93.07078	1.3
95.06088	6.1
97.02895	35.0
99.04465	40.4
103.03950	80.2
109.02895	17.7
113.07113	2.7
115.03868	1.7
116.98635	1.4
119.08543	1.4
122.06039	1.7
123.04448	1.4
125.09623	1.6
125.46134	1.4
127.03923	100.0
145.04970	71.1
150.07724	2.7
163.06035	57.7
169.04982	1.6
179.03427	5.0
187.06018	4.0
205.07127	3.1
229.10594	1.6
264.12503	1.8
271.08124	13.3
271.11743	1.8
289.09216	10.7
307.10342	12.6
323.19775	3.0
382.11819	2.3
382.26990	8.2
426.10895	10.4
426.18097	8.9
427.19370	6.1
454.76471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43938	0.7
53.03938	2.5
54.01657	0.8
56.36470	0.7
57.03430	1.9
61.02917	1.6
69.03429	7.4
69.95290	3.9
71.04980	2.5
72.29396	0.8
73.02908	2.1
81.03423	10.4
85.02908	66.1
86.09714	1.1
92.77576	0.7
97.02902	17.2
97.06543	1.4
98.21420	1.0
99.04459	35.0
103.03947	90.0
109.02879	13.4
111.04398	0.8
115.03934	1.3
120.08104	1.2
127.03922	100.0
145.04970	54.8
149.09593	1.0
163.06026	52.8
169.04948	0.9
187.06065	5.5
205.07146	5.2
253.07191	1.4
271.08084	7.0
289.09174	6.0
300.15906	2.4
307.10233	14.0
313.13544	0.8
346.16495	3.7
364.17575	2.3
390.19247	1.4
391.19449	1.1
408.20157	2.1
426.20898	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.0
63.48291	1.8
65.03934	4.9
67.05508	97.3
69.07061	9.8
70.70123	5.5
79.05499	10.6
79.06972	2.2
81.07063	100.0
83.08625	4.2
88.41827	2.2
91.05483	3.6
93.07062	11.4
95.08616	73.6
97.10183	3.0
105.07041	4.1
107.08600	10.5
109.10155	22.5
117.06963	2.4
119.08596	3.8
121.10136	7.5
123.08057	2.5
123.11690	15.6
131.08559	6.9
133.10135	3.3
135.11673	4.6
137.13283	18.4
145.10243	2.1
147.11723	2.4
149.09564	2.5
149.13185	4.0
150.55354	2.1
151.11200	2.0
151.14825	4.4
151.56677	2.0
159.11670	3.5
161.13272	2.4
173.13257	6.3
191.14223	2.7
195.13837	4.3
209.15425	7.7
223.16959	6.0
243.21155	5.5
261.22168	7.8
279.23206	78.5
286.91241	2.6
426.21625	2.9
444.91336	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	427.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81150	0.2
53.03945	0.9
55.01866	0.6
57.03438	0.4
61.02925	0.4
68.99780	0.4
69.03428	3.2
70.06596	0.8
71.04979	0.3
71.51861	0.3
72.08152	0.3
73.02903	0.7
77.03920	0.2
79.05486	0.4
81.02991	0.3
81.03421	3.7
81.07026	0.2
85.02907	5.3
86.09702	0.3
87.00828	2.5
87.04460	0.2
89.03901	0.4
91.03943	0.4
95.04923	0.2
95.06075	0.4
97.02896	2.1
99.04459	1.3
103.03944	0.3
105.01868	1.2
105.03368	0.6
107.08602	0.2
109.02873	3.5
116.07065	0.2
117.01880	0.4
117.03374	0.4
119.08544	0.2
121.06569	0.2
123.04433	8.5
127.03921	5.5
129.01796	0.3
131.08601	0.2
133.02858	7.4
133.10126	0.4
135.04398	1.4
145.04947	2.0
147.02931	0.4
149.09547	0.2
151.03902	4.1
159.02875	1.5
159.08009	0.2
161.09599	0.4
177.09079	0.2
179.03392	100.0
180.03734	0.7
213.03836	0.3
231.05016	0.8
249.00717	0.2
265.15479	0.2
375.16531	0.2
383.27213	0.2
427.15125	0.3
427.20081	0.4
430.03363	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	427.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81150	0.2
53.03945	0.9
55.01866	0.6
57.03438	0.4
61.02925	0.4
68.99780	0.4
69.03428	3.2
70.06596	0.8
71.04979	0.3
71.51861	0.3
72.08152	0.3
73.02903	0.7
77.03920	0.2
79.05486	0.4
81.02991	0.3
81.03421	3.7
81.07026	0.2
85.02907	5.3
86.09702	0.3
87.00828	2.5
87.04460	0.2
89.03901	0.4
91.03943	0.4
95.04923	0.2
95.06075	0.4
97.02896	2.1
99.04459	1.3
103.03944	0.3
105.01868	1.2
105.03368	0.6
107.08602	0.2
109.02873	3.5
116.07065	0.2
117.01880	0.4
117.03374	0.4
119.08544	0.2
121.06569	0.2
123.04433	8.5
127.03921	5.5
129.01796	0.3
131.08601	0.2
133.02858	7.4
133.10126	0.4
135.04398	1.4
145.04947	2.0
147.02931	0.4
149.09547	0.2
151.03902	4.1
159.02875	1.5
159.08009	0.2
161.09599	0.4
177.09079	0.2
179.03392	100.0
180.03734	0.7
213.03836	0.3
231.05016	0.8
249.00717	0.2
265.15479	0.2
375.16531	0.2
383.27213	0.2
427.15125	0.3
427.20081	0.4
430.03363	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	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.2
57.04564	0.5
61.20251	0.2
69.03445	0.4
70.06583	0.2
70.76431	0.5
72.45898	0.2
73.91478	0.1
74.42242	0.2
81.03418	0.3
83.58369	0.2
85.02907	0.7
94.04072	1.5
95.06085	0.4
97.02921	0.3
98.97585	0.2
103.03942	0.2
104.18825	0.2
109.02893	0.3
123.04427	0.5
123.06707	0.9
127.03953	0.5
133.05069	0.2
135.04465	0.2
135.05428	0.2
148.06110	0.2
150.07758	100.0
151.08081	0.5
157.31898	0.2
161.09680	0.2
179.03395	3.7
226.15109	0.2
265.12677	0.2
282.12000	0.8
295.11514	24.8
383.27396	0.2
402.51102	0.2
427.19318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01174	1.8
55.01854	2.7
57.03423	3.6
58.21980	1.7
61.02926	4.4
69.03426	13.3
69.18118	2.0
70.06576	5.8
70.38280	7.1
70.99863	2.6
73.02932	3.5
77.00897	1.9
81.03423	4.0
82.99836	2.2
84.08131	2.1
85.02911	21.2
87.04427	2.4
97.02888	12.0
99.04424	3.6
100.00099	4.0
101.00886	16.8
103.00630	5.7
109.02876	3.6
113.00834	5.2
115.02422	2.3
118.01135	4.3
119.01929	23.5
120.02007	1.9
121.01659	7.5
125.00906	2.1
127.02407	4.7
127.03934	9.9
129.10246	2.5
131.01883	13.0
133.01671	3.0
136.06161	3.5
138.84119	2.2
139.02420	2.6
139.12086	2.0
143.01923	23.8
144.02039	5.4
145.01628	9.4
145.03432	12.9
145.04955	6.3
145.99347	7.0
146.02008	2.5
147.03229	5.4
149.02979	2.1
155.01888	28.0
157.01634	2.9
157.02332	1.9
157.03470	15.9
158.01979	2.3
160.00955	3.0
161.02962	25.8
162.03131	3.0
163.02678	12.5
164.00407	48.3
164.03036	6.2
167.01918	11.8
169.01678	1.9
169.03401	4.1
171.01375	2.2
173.02963	33.1
174.03114	2.7
175.02699	4.5
175.04504	2.6
176.00374	8.2
179.01875	5.5
185.02980	36.7
186.03081	3.5
187.02733	9.0
187.04532	5.6
188.00388	5.9
188.03091	7.6
190.01993	4.4
191.03978	3.2
194.01472	9.1
197.02962	13.4
200.03189	2.1
203.04034	13.4
204.04121	2.8
206.01514	14.4
209.03044	3.0
215.03992	5.6
221.05592	4.0
224.02477	7.8
227.03941	9.6
228.08203	2.3
230.04037	2.4
245.05084	100.0
246.05287	11.0
247.04886	24.4
248.02515	31.7
248.05237	29.6
248.09024	2.3
257.04987	5.2
260.05426	3.0
263.06085	8.2
265.05896	3.7
266.03595	93.3
266.06189	6.6
274.11908	2.3
275.06168	19.9
278.06287	6.2
284.04633	18.0
293.07111	4.4
305.07266	12.4
307.06577	3.2
308.07245	3.9
335.08151	4.2
365.09283	12.5
368.09460	5.5
383.91934	1.9
428.08667	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	428.2279
Annotation	Lasiocarpine N-oxide
Peak:m/z	Relative Intensity
55.01859	1.9
55.05500	3.7
55.40090	1.3
57.07080	7.6
67.05512	2.7
69.03418	3.6
69.07056	2.7
70.06600	1.4
70.16712	1.1
71.04992	1.1
71.52785	1.5
79.05499	3.9
81.03418	2.8
81.07043	4.2
82.06554	1.4
83.04984	5.3
84.04502	4.7
85.02882	2.0
85.06552	6.8
86.06039	1.3
87.04443	1.7
90.75228	1.2
91.05470	7.9
92.05006	1.3
93.07027	4.6
95.08593	3.1
97.06536	2.7
98.98459	1.6
102.05550	2.8
105.07027	12.7
107.08569	3.9
109.06490	1.5
111.04453	1.4
117.07008	2.1
118.06532	4.1
119.08582	9.0
120.08086	3.4
121.06483	1.2
121.10147	3.0
123.08123	1.1
124.99984	3.1
125.09644	1.2
129.06972	1.8
129.46970	1.2
130.05032	2.1
131.08565	4.2
133.06454	1.4
133.10139	50.1
135.08046	2.4
137.09618	1.5
137.81189	1.2
143.08556	6.5
144.08089	8.2
145.08844	3.6
145.10101	5.3
147.08003	5.3
147.11694	4.1
148.06064	3.8
149.09628	7.0
151.11157	1.7
157.10149	7.7
159.11719	2.4
161.09624	24.9
171.11681	2.5
173.09601	2.5
174.10458	1.8
175.11186	8.1
177.09019	1.3
177.60924	1.2
179.10683	4.0
185.09581	3.9
185.13251	5.0
189.09114	16.8
189.12852	2.1
189.16447	1.9
190.40379	1.3
193.12343	1.1
196.67564	1.3
197.71709	1.3
199.14835	5.1
203.10640	8.8
203.14326	2.5
217.15869	54.6
221.40894	1.3
227.14275	3.9
230.15375	6.3
235.10835	1.2
235.16910	2.3
245.15376	100.0
256.16980	5.7
263.16440	15.0
274.18048	19.0
292.19186	1.4
330.20621	7.2
346.20193	1.5
348.21722	3.3
354.14758	2.2
364.21008	1.3
374.19580	4.4
392.15524	2.3
392.20642	44.0
410.17041	2.8
410.21710	2.2
428.18350	39.6
428.26385	4.2
429.17126	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	429.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.0
55.01861	1.5
55.05498	1.8
57.03433	1.4
62.13084	0.6
67.01891	0.5
67.05486	2.0
67.61069	0.5
68.99776	0.5
69.03427	3.8
69.07076	1.2
69.92315	1.1
69.92730	1.7
70.06579	0.7
71.04987	1.2
79.05502	3.8
81.03427	9.9
81.07038	2.3
81.55938	0.6
83.04967	1.5
83.08606	1.4
84.08117	0.6
84.26706	0.6
85.02929	3.7
86.09727	3.7
91.05467	3.5
93.07032	2.7
95.04977	3.1
95.08589	1.5
97.02887	5.1
97.06528	1.0
97.10103	0.6
99.04431	1.5
103.03958	0.8
105.07025	4.0
107.04941	0.7
107.08586	2.4
109.02886	1.9
109.06516	1.0
109.10128	0.9
110.91635	0.7
111.04436	1.1
111.08110	0.8
116.07095	0.7
119.08594	2.9
121.06503	1.4
121.10149	10.6
123.04382	0.9
127.03926	2.4
129.06999	1.2
131.08534	1.6
133.10080	1.2
135.11673	2.3
145.10115	3.7
147.11685	1.4
157.10066	1.4
163.03848	0.8
163.11185	8.8
175.11223	0.8
181.04919	1.7
181.12241	6.4
183.05298	0.7
193.12286	4.7
211.13304	8.8
225.07953	1.4
227.12729	0.7
235.13258	1.3
249.14697	0.7
267.12045	12.5
285.16898	1.3
309.13101	1.1
313.16647	0.7
339.14490	0.8
360.67102	0.6
367.17120	2.1
367.24524	1.2
369.15198	4.3
375.17926	0.8
429.17197	100.0
430.17581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01872	4.9
55.05495	2.3
57.03443	3.6
57.03666	0.7
57.07064	0.7
61.02915	3.0
61.59618	0.7
62.66676	0.6
67.05494	2.2
68.99773	2.4
69.03434	20.6
69.07059	1.3
69.40179	5.7
70.06606	0.8
71.04977	3.1
72.08146	1.0
73.02924	5.4
79.05479	5.0
81.03418	21.7
81.07050	7.1
83.04980	3.2
83.18899	0.6
85.02907	37.3
86.09696	0.8
87.00309	1.2
87.00828	17.6
91.03958	1.0
91.05479	6.3
93.07043	8.2
95.04972	19.6
95.08625	1.8
97.02896	15.2
97.06554	1.3
98.21534	1.2
99.04479	9.1
103.03937	2.1
103.05456	0.7
105.01865	13.2
105.07041	8.5
107.04946	1.9
107.08590	8.1
109.02879	22.2
109.06517	3.4
115.03959	1.2
117.01853	2.8
117.07039	3.8
119.08601	4.3
121.06519	3.8
121.10139	13.0
123.04427	1.6
123.08080	1.6
125.05993	1.6
127.03920	37.7
129.01855	2.7
129.07014	0.8
130.07771	2.3
131.08603	1.1
133.06418	0.9
133.10103	1.9
135.08073	1.4
135.11711	6.2
137.05969	1.2
137.09602	0.9
143.08568	1.3
145.04964	15.2
145.09058	1.1
145.10124	12.8
147.02884	2.8
147.08064	3.4
147.11703	1.1
149.06007	1.5
159.02898	13.5
159.11629	1.0
161.09615	2.1
163.11183	100.0
164.11496	0.8
165.09154	1.8
165.12798	0.7
167.07024	3.3
175.11203	2.3
177.12756	0.6
179.24582	0.8
181.12245	5.7
184.07332	0.7
187.11113	1.4
189.03952	2.2
193.12274	2.0
205.12172	4.4
211.13261	1.8
213.03928	1.5
217.12080	0.9
223.13261	8.7
231.04993	8.3
235.13203	0.9
247.13277	0.9
249.06133	0.8
271.13330	1.4
284.68707	0.7
285.17014	0.8
289.14471	1.4
393.15482	2.3
411.16635	2.0
429.16461	1.6
429.22070	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	429.2121
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	9.0
55.01863	7.6
55.05511	14.8
57.03438	23.8
60.18881	1.9
60.76458	1.9
61.02929	16.1
67.05503	24.8
69.03432	29.0
69.07075	5.5
69.51572	1.8
70.17107	1.9
71.01348	4.4
71.04980	6.1
73.02921	12.1
79.05497	24.3
80.73996	1.8
81.03421	100.0
81.07066	26.4
83.04980	16.0
83.08632	15.0
84.40221	2.0
85.02909	33.6
85.06560	3.1
91.03941	8.8
91.05486	27.4
93.07045	22.0
95.01350	2.3
95.04976	48.4
95.08623	10.3
97.02895	45.2
97.06562	3.5
97.10152	6.4
98.21559	2.7
99.04441	7.5
101.02406	4.4
103.03939	10.5
103.05463	2.1
105.07027	19.2
107.04949	14.1
107.08596	8.2
109.02892	16.7
109.06496	6.9
109.10135	3.9
111.04448	6.6
111.08088	9.7
115.05456	3.5
117.07035	8.4
119.08595	17.2
121.06506	9.7
121.10136	9.4
123.04430	29.0
123.08043	2.4
123.11685	2.7
127.03929	20.5
128.06226	2.0
129.05463	4.8
129.07019	13.8
131.04915	2.5
131.08539	10.4
133.06433	5.7
133.10106	8.8
135.08086	4.9
135.11679	4.5
137.05949	3.6
137.09608	2.3
143.08562	5.6
145.04959	3.0
145.06500	3.1
145.10126	9.0
147.04399	6.7
147.08038	7.1
147.11699	17.3
149.05980	3.3
149.09602	6.7
153.09108	2.9
155.08502	2.4
157.10118	9.2
159.11676	3.2
161.06020	2.7
163.11198	12.4
165.12773	5.0
171.11642	4.5
173.09688	4.8
175.11183	8.0
181.04968	15.4
183.06551	2.7
189.05476	3.3
189.12805	6.0
191.10567	3.3
193.12251	36.2
199.11227	2.6
203.49226	2.0
205.12389	2.6
207.13895	4.5
211.13313	43.7
217.12213	5.2
223.13246	3.6
229.00977	2.4
229.14253	2.8
231.13750	3.1
235.13290	39.4
238.71994	2.1
249.14807	6.4
253.14282	4.7
259.13312	10.5
265.14581	2.3
267.15945	31.1
273.14828	14.8
277.14285	4.5
285.16864	9.7
289.14447	2.2
301.14325	13.4
309.16986	18.5
313.16177	2.6
315.15680	2.4
319.15543	3.3
337.16653	2.7
351.18051	4.1
355.17429	2.3
357.16873	2.2
363.17813	2.7
369.64835	2.1
375.17987	13.1
393.19180	12.0
406.22269	2.5
411.20004	8.7
429.21451	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	429.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.01863	5.5
55.05511	11.5
57.03440	13.7
61.02920	2.4
65.38163	1.4
67.05180	1.4
67.05511	18.4
69.03090	2.0
69.03436	29.9
69.07058	5.5
69.32203	5.5
69.32623	3.7
69.65057	1.2
71.01332	1.5
71.05003	8.0
72.08170	1.4
73.02905	3.3
79.05499	18.0
81.03424	80.4
81.06658	1.7
81.07063	21.2
83.04994	16.8
83.08624	20.2
85.02916	21.1
85.06557	1.6
86.09702	3.9
87.04456	2.5
91.04990	1.6
91.05495	21.6
93.07043	15.4
94.19172	1.2
95.04976	25.6
95.08620	8.6
97.02898	43.0
97.06528	4.2
97.10159	4.1
99.04482	6.7
101.02391	2.1
103.03944	3.9
105.07040	15.6
107.04962	7.7
107.08580	7.6
109.02889	13.8
109.06537	6.2
109.10146	3.3
110.35699	1.4
111.04454	9.7
111.08085	10.3
113.05989	1.5
115.05432	1.4
117.07037	2.6
119.08604	15.9
121.06519	3.0
121.10148	8.1
123.04408	4.1
123.08064	2.4
123.11715	3.6
125.09626	3.7
127.03922	15.5
129.05493	4.6
129.07018	8.1
131.08603	9.2
133.06487	3.9
133.10133	9.5
135.08076	2.1
135.11711	1.2
145.04921	1.2
145.10100	2.7
147.04370	2.6
147.08081	1.6
147.11705	17.3
149.09622	5.9
153.12679	1.8
157.10126	11.1
163.11169	5.0
165.12737	4.7
171.11647	1.7
175.11205	12.8
181.12262	2.8
183.06485	2.2
183.11665	1.3
189.12714	2.5
191.10727	3.6
193.12260	54.2
205.12254	1.7
211.13297	82.5
217.12138	1.6
227.12799	2.1
229.14348	5.2
231.13876	1.6
235.13388	6.7
249.14870	6.8
259.13342	1.9
267.15967	7.6
273.14893	3.1
277.14404	1.7
283.15445	1.6
285.17017	19.1
289.14426	1.9
291.15695	1.5
297.03217	1.3
301.14374	3.8
309.16995	4.0
313.16565	2.4
337.16339	5.2
351.18283	1.9
355.17450	4.1
363.18164	1.5
367.17209	3.2
369.15161	5.5
375.18127	2.5
393.19012	4.6
411.20453	7.1
411.24658	1.9
428.38489	1.5
429.17178	100.0
429.21396	63.8
430.22385	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	429.2122
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.25707	1.6
53.03956	7.5
55.01869	4.2
55.05511	9.4
57.03439	13.8
61.02905	1.8
62.27485	1.3
67.05511	14.9
69.03434	29.9
69.07059	6.2
71.01346	2.6
71.05011	6.7
73.02916	3.4
79.05497	15.6
81.03423	84.7
81.07062	18.3
83.04980	15.3
83.08625	17.8
85.02913	26.8
85.06567	2.0
87.00854	1.5
87.04462	1.6
88.18914	1.4
91.05484	19.4
93.07043	13.6
95.04974	25.5
95.08603	6.0
97.02893	46.2
97.06530	4.3
97.10165	2.9
99.04455	6.5
101.02388	1.7
103.03991	2.1
105.01887	1.5
105.07032	19.2
107.04951	5.8
107.08604	10.7
109.02895	14.8
109.06531	4.2
109.10154	2.4
111.04445	9.8
111.08070	11.0
113.06013	1.9
115.05492	1.7
117.07037	2.6
119.08595	17.4
121.06480	3.3
121.10149	30.6
123.04485	2.7
123.08068	2.4
123.11744	2.5
125.09627	2.8
127.03931	17.3
129.05486	5.0
129.07013	10.6
131.08577	6.7
133.06520	3.1
133.10161	7.4
135.11687	6.7
137.09644	2.4
142.07817	2.7
145.04996	2.6
145.10146	7.1
147.08107	3.0
147.11678	14.9
149.06021	1.4
149.09651	4.4
157.10136	12.9
163.11206	18.0
165.12802	4.8
175.11195	11.9
181.12230	9.4
183.06538	4.0
189.12825	2.5
191.10689	3.5
193.12250	54.8
211.13300	90.8
215.13884	2.4
227.12778	2.8
229.14381	4.6
235.13402	2.6
249.14896	7.3
253.81299	1.5
265.14404	2.1
267.15881	6.6
270.91977	1.3
273.15018	1.9
283.15790	1.5
285.16980	20.5
301.14285	1.9
337.16577	2.8
355.17493	5.0
393.19202	2.8
411.20126	6.5
429.21271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2122
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03948	10.4
55.01867	4.9
55.05514	12.3
57.03443	19.9
60.04480	1.8
61.02920	11.3
63.98958	2.0
65.03940	2.1
67.05508	22.8
69.03429	26.1
69.07062	4.7
69.43933	14.5
71.01343	3.4
71.04980	7.7
73.02913	6.2
79.05141	2.4
79.05508	26.7
81.03423	100.0
81.07055	30.5
83.04976	15.6
83.08620	15.5
85.02906	26.0
86.09687	3.5
91.05483	29.3
93.07048	16.4
94.91127	2.1
95.04977	47.6
95.08601	9.7
97.02306	2.7
97.02897	35.4
97.06531	6.8
97.10156	4.6
99.04450	7.9
99.08101	2.9
101.02354	2.3
103.03939	6.9
105.07042	21.9
107.04971	11.4
107.08603	12.0
109.02898	16.0
109.06507	7.2
109.10160	5.2
111.04427	6.7
111.08073	5.8
112.51623	2.1
112.60116	2.1
117.06993	5.2
119.04930	2.8
119.08564	19.1
121.06479	9.0
121.10134	13.1
123.04437	21.8
123.08078	2.5
123.11663	4.5
125.09624	5.1
127.03937	16.6
129.05475	4.4
129.07002	8.9
131.04915	4.6
131.08592	10.9
133.06549	2.9
133.10104	7.9
135.04433	2.2
135.08057	2.8
135.11691	4.3
143.08533	2.7
145.04921	2.8
145.06537	2.3
145.10139	7.9
147.04384	7.0
147.08064	4.3
147.11711	17.2
149.05930	3.0
149.09572	5.6
151.11162	2.1
157.06398	2.6
157.10110	10.1
158.83122	2.1
161.09624	3.6
163.11168	9.8
165.12761	7.3
171.11612	3.6
173.09624	2.7
175.11180	8.0
181.05058	2.6
181.12280	2.2
185.09645	2.0
189.12755	7.0
191.10635	4.2
193.12260	37.8
195.11842	2.4
205.12192	3.6
207.13802	5.2
211.13307	51.3
217.12253	5.8
225.07977	2.7
227.12456	2.5
229.14273	3.8
235.13318	31.4
249.14832	8.9
253.14258	3.4
255.13615	2.2
259.13229	7.0
267.11331	2.3
267.15866	20.2
273.14969	13.7
277.14224	3.0
285.17206	11.4
301.14301	11.1
309.17017	15.6
319.15390	5.2
321.16687	2.6
337.16385	3.5
351.18207	3.7
355.17639	2.7
363.17975	4.5
375.17950	11.7
376.17114	2.6
393.19028	11.8
411.20047	9.9
429.21252	66.3
444.26236	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05525	2.1
57.03440	6.0
57.07080	0.8
60.60360	0.4
67.05176	0.8
67.05508	9.1
69.06746	0.4
69.07086	1.7
70.58405	1.2
71.08630	0.5
79.05495	9.0
81.03420	0.5
81.07059	11.4
83.05019	0.5
83.08633	1.4
85.06580	0.5
91.05496	4.0
93.07043	10.8
95.04980	0.7
95.08612	8.2
95.09182	0.7
97.10182	0.8
98.51211	0.5
105.07069	3.6
107.08594	7.3
109.10160	3.7
113.00023	100.0
117.07035	1.6
119.08581	3.3
121.09354	0.5
121.10167	6.0
123.08123	0.5
123.11716	1.7
127.47744	0.5
131.01073	0.6
131.08580	4.2
133.10139	2.1
135.08034	0.4
135.11710	5.2
137.13281	0.6
139.30138	0.5
145.10123	3.6
147.11667	2.2
149.09598	0.5
149.13263	4.3
152.05730	0.7
154.02681	0.7
155.01054	1.0
159.11732	2.3
161.13274	1.7
163.14815	3.0
169.02620	96.2
173.13287	3.1
175.14873	0.9
177.12717	0.5
177.16431	1.3
184.07352	1.5
187.14825	1.5
198.59233	0.4
201.16420	0.6
233.22643	1.5
243.21098	8.0
261.22150	22.7
275.23761	1.3
418.50140	0.5
429.24066	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	429.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52843	0.5
53.67635	0.6
53.99505	0.6
55.05502	0.6
57.07082	0.6
59.97380	0.5
62.80632	0.6
67.05492	2.2
68.33233	0.5
69.07063	1.1
70.86113	0.6
73.04736	0.5
79.05484	2.1
81.03421	1.1
81.07066	1.3
83.08625	0.6
86.09679	0.8
91.05460	1.1
93.07018	2.3
95.08592	1.4
97.02934	0.6
103.08130	0.6
107.04879	0.6
107.08572	1.3
119.08563	0.7
120.80553	0.5
121.10111	0.7
131.44218	0.5
145.73399	0.5
153.05231	100.0
165.09190	0.7
194.07893	1.7
200.20012	0.7
211.13342	0.6
229.27953	0.7
285.40506	0.6
299.19839	22.1
429.12396	0.7
429.20087	1.3
429.26379	0.8
429.31802	3.1
429.37143	0.7
429.43289	0.8
446.82645	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	431.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93528	2.0
56.94304	3.3
59.10759	1.8
69.03434	4.2
70.22083	6.9
72.08158	2.5
72.93789	4.7
85.02918	3.7
87.04515	1.7
90.94841	3.8
91.05494	5.7
97.02894	2.4
98.98475	2.7
104.80656	1.8
104.81585	1.7
117.85423	1.6
119.04980	3.6
123.04434	2.9
124.07629	1.5
128.96405	3.0
132.95793	8.3
137.05984	19.4
140.96272	1.7
144.95874	3.1
158.97409	15.8
160.09984	4.7
162.97037	2.1
170.97406	2.0
176.98488	5.6
186.97015	2.1
189.10257	13.7
198.96912	4.0
208.98965	23.7
216.97928	10.0
227.00008	25.1
234.99002	29.6
251.00047	4.9
263.00021	2.5
265.56656	1.6
269.01154	5.2
277.01819	2.1
281.01071	3.1
287.00009	6.1
305.01007	9.8
323.16068	15.7
353.03204	5.6
353.17310	1.8
371.04266	100.0
386.51523	1.6
413.19049	4.2
431.07062	2.6
431.14856	5.1
431.20264	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	431.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	12.1
55.01861	8.9
55.05500	17.9
57.03424	9.9
57.07058	5.4
60.67312	4.3
67.05511	31.5
69.03440	31.2
69.07074	41.6
70.78324	5.0
71.04991	12.6
71.52510	7.6
74.39077	4.4
79.05490	37.6
81.03431	35.3
81.07061	39.6
83.04981	77.5
83.08617	8.3
85.02903	23.8
85.06557	13.1
86.09691	12.1
87.04471	6.8
91.05474	41.4
93.07054	32.3
95.04964	25.4
95.08617	24.2
97.02892	19.6
97.06541	68.0
99.04456	22.5
102.05481	5.8
104.91988	5.1
105.07033	61.8
107.04949	16.0
107.08608	20.0
109.02874	24.3
109.06511	16.4
109.10168	8.6
117.07018	19.0
119.08610	26.0
121.05917	3.9
121.06512	40.7
121.10162	16.1
122.06017	6.4
123.11694	11.8
125.05995	100.0
127.03938	19.0
129.06978	9.6
130.07811	5.9
131.08571	28.6
132.10181	5.0
133.06456	8.8
133.10133	21.6
135.08066	7.6
137.05998	8.3
137.09653	7.5
137.13284	8.3
143.07047	54.7
143.08507	8.3
144.09384	8.6
145.06488	12.4
145.10115	82.5
147.08028	14.4
147.11716	11.1
148.08466	5.4
148.81830	5.0
149.09619	8.9
151.07530	14.7
157.10222	8.3
158.07285	11.7
159.07990	7.7
159.11696	32.6
163.11198	18.3
165.09108	13.6
169.10156	8.4
172.03967	9.0
173.09645	71.2
175.07721	5.2
175.11171	8.7
177.12776	19.2
183.10187	14.3
183.13812	7.2
187.11206	71.4
187.12965	8.2
191.10675	21.2
193.12254	10.0
197.09645	5.7
204.06535	14.2
205.12247	50.4
209.11697	5.6
210.14909	8.4
211.13281	9.4
212.10397	5.8
215.10666	58.8
228.15990	7.9
233.11725	36.1
243.15930	10.1
251.12819	7.6
269.17581	13.1
321.13477	8.1
395.17316	6.3
413.17905	17.0
431.18121	27.0
431.23746	8.4
452.47250	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	431.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.5
56.28004	1.9
57.03436	7.1
57.07074	2.6
59.37621	2.1
60.18689	2.3
67.05509	25.3
69.07081	9.1
69.17899	4.5
69.18301	15.9
70.81690	1.8
71.04990	4.6
79.05491	25.0
81.03418	2.4
81.07059	29.8
83.04982	1.8
83.08636	6.0
85.06551	3.9
91.05482	32.3
93.07053	34.9
95.04967	3.2
95.08622	22.3
97.06533	4.6
98.98469	79.6
99.08125	1.8
105.07034	32.6
107.08604	21.2
108.83224	2.1
109.06518	2.7
109.10166	8.7
117.07018	7.7
119.08588	42.7
121.10146	17.4
123.11729	3.1
129.00299	1.6
129.05539	5.2
129.07040	5.5
131.08578	16.6
133.10146	30.6
135.08128	1.8
135.11722	15.1
143.08568	7.1
145.10127	14.3
147.08081	2.8
147.11684	28.7
149.13252	9.5
149.84804	1.6
155.01038	2.3
155.07007	2.7
157.10149	8.0
159.11685	15.4
161.13257	36.7
163.11154	2.0
163.14941	4.2
171.11731	13.6
173.02144	15.4
173.13260	12.7
175.11157	2.4
175.14833	26.6
185.13252	9.0
187.14865	4.5
189.12830	2.9
199.14856	5.4
215.18004	5.1
217.19525	4.9
231.21051	7.6
241.19514	43.8
243.21120	2.1
259.20609	72.3
315.23178	5.5
323.90601	2.2
333.24255	100.0
413.20758	5.1
431.22119	3.6
431.26941	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	431.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
57.03434	3.4
57.07072	1.1
60.01654	0.8
67.05520	10.1
69.07070	1.5
71.04916	0.8
79.05492	3.2
81.07066	11.7
83.08631	2.3
91.05478	2.1
93.07035	3.4
95.04965	0.9
95.08611	9.5
97.10145	0.9
105.07030	1.2
107.08563	1.9
109.10131	3.3
111.08099	0.9
113.00027	70.8
119.08601	1.8
121.10127	1.9
123.08055	1.1
123.11696	1.1
133.10114	1.2
135.11673	1.0
137.27600	0.9
147.11710	1.3
153.05241	100.0
169.02628	64.5
194.07864	0.8
245.22629	2.6
263.23685	4.2
301.21420	17.0
387.16211	1.3
431.18384	9.4
432.19815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1129
Annotation	Kaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
51.70762	0.4
52.87450	0.4
53.03923	0.7
54.29926	0.3
55.01873	0.5
55.05506	1.5
56.48138	0.4
57.03440	7.5
61.02918	1.3
65.03915	0.4
67.05496	1.6
69.03416	2.1
69.07070	1.0
70.06600	0.5
71.04996	1.1
71.52049	0.4
71.52439	0.4
73.02914	4.0
75.04482	28.3
76.74361	0.3
79.05482	1.6
81.03418	1.8
81.07064	3.4
83.04994	2.0
83.08613	1.0
85.02900	3.9
85.06551	0.6
86.09722	0.4
86.87301	0.4
87.04469	0.4
91.03954	0.8
91.05481	1.8
93.07063	3.0
95.04959	1.3
95.08609	2.3
97.02891	1.8
97.06528	2.3
98.60970	0.4
98.98440	0.4
99.04440	1.5
100.11262	1.1
105.03391	0.5
105.07030	3.0
107.04944	0.9
107.08574	2.5
109.02866	1.9
109.06516	1.6
109.10180	2.2
111.04482	1.0
111.08080	1.3
117.07039	0.5
119.08566	1.3
121.02869	2.4
121.06506	2.7
121.10117	0.5
123.08096	0.5
123.11707	0.8
125.06005	0.8
127.03912	2.2
129.07040	0.5
131.08588	0.4
133.01701	0.4
133.10130	3.4
135.08012	0.9
137.02274	0.4
139.07545	1.0
142.12193	0.4
143.07039	1.0
143.08571	0.5
145.04996	0.5
145.10066	0.7
146.06145	0.4
147.04402	0.6
147.11713	2.1
148.89568	0.4
151.11168	1.5
153.01823	3.8
154.27324	0.4
157.06425	0.5
157.08728	0.4
157.10141	1.0
165.01842	1.8
165.12743	0.7
169.12228	1.8
171.11777	0.6
175.11208	1.6
182.15312	0.6
183.02888	0.6
185.06000	0.6
187.06047	0.6
189.12770	0.9
193.12219	1.6
196.91862	0.4
199.11253	1.1
207.13782	0.7
210.14835	0.8
211.13266	2.0
213.05534	1.0
215.07034	0.6
216.68922	0.4
217.12257	3.7
229.14313	0.7
231.06689	0.5
235.13249	3.9
246.63969	0.4
253.14352	5.7
258.05280	0.7
259.06094	0.6
271.15445	1.7
280.34021	0.4
287.05502	100.0
288.05731	1.6
289.16245	0.4
318.49869	0.5
381.80316	0.4
397.18665	0.8
432.76291	2.8
433.14975	0.7
433.20120	1.3
433.26517	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1347
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.01733	0.2
53.03946	0.8
55.01869	0.4
56.79805	0.2
58.34740	0.2
61.02899	0.4
63.93137	0.2
65.03944	0.2
67.05492	0.4
69.03439	2.2
69.84895	1.1
71.04986	0.6
72.08151	0.6
73.02925	0.3
79.05482	0.3
81.03422	2.2
81.07076	0.2
84.04503	0.3
84.08136	0.2
85.02911	5.4
86.09711	1.4
90.16715	0.2
91.05471	0.5
97.02900	4.1
98.97591	0.2
99.04463	3.9
103.03949	4.6
105.07049	0.3
107.04975	0.8
109.02883	2.9
110.03690	0.3
115.05493	0.2
119.04979	0.4
123.04381	0.3
127.03925	100.0
128.04239	0.4
145.04959	3.6
147.04430	0.9
147.07668	0.5
151.52620	0.2
153.05435	0.4
161.05989	0.6
163.06029	0.9
167.07072	1.0
168.83807	0.2
171.18475	0.2
181.04961	3.9
187.06044	1.0
193.08653	0.5
201.12563	0.3
205.07016	0.2
221.08064	1.4
239.91656	0.2
249.07556	0.8
271.08078	0.6
289.09094	0.3
387.74545	0.2
403.13986	3.6
433.13388	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24833	5.2
53.03945	15.4
55.01862	12.4
55.05518	16.9
57.03439	11.0
65.20849	5.1
67.05502	17.7
69.03439	35.4
69.07073	26.4
69.92309	28.7
70.06578	10.4
71.04995	25.4
72.08160	10.7
73.02915	8.4
73.06548	6.1
79.05495	23.5
81.03429	50.6
81.07062	53.4
82.33026	5.3
83.04980	25.9
83.08614	10.8
84.08152	6.6
85.02908	53.4
85.06548	9.7
86.09679	13.7
91.05466	32.1
93.07037	56.8
95.04983	25.6
95.08610	34.0
97.02885	55.6
97.06550	52.5
98.21442	6.2
99.04450	43.0
99.14680	5.1
105.07034	48.0
107.04964	8.7
107.08578	36.0
109.02869	55.4
109.06517	26.0
109.10133	10.2
111.08061	36.0
119.08582	18.9
120.08096	9.9
120.92997	6.2
121.06516	59.7
123.08064	11.2
123.11707	18.7
125.05984	15.7
127.03925	73.7
127.07531	9.0
127.77245	6.3
129.07065	7.7
131.08615	10.1
133.10112	19.3
135.08098	12.2
137.05988	9.2
139.07567	24.7
141.05396	6.9
143.07086	27.2
143.08530	13.8
145.04961	17.9
145.10107	9.8
147.11661	50.0
149.13255	5.8
151.11185	16.5
157.08569	15.3
157.10170	15.5
159.06558	10.4
161.13303	6.4
165.12753	21.5
167.14380	6.2
169.12219	45.9
171.11694	12.2
175.11226	40.6
180.33447	6.2
181.04918	5.9
187.06013	29.1
189.12761	22.9
189.43361	6.7
193.10410	6.2
193.12221	33.2
199.11209	26.4
205.07018	28.4
207.13831	20.5
207.36533	6.0
209.02856	5.6
209.71719	5.7
211.13301	69.6
217.12209	73.3
229.14262	30.1
235.13269	100.0
253.14333	85.7
271.15503	8.9
287.05472	20.8
379.17453	9.8
397.18546	12.0
403.13635	9.1
433.15668	6.4
433.29358	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	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.3
55.01865	5.5
55.05511	7.7
57.03426	3.0
67.05518	12.2
67.43607	2.3
69.03441	14.0
69.07079	13.3
69.49176	17.6
71.04995	11.1
72.08160	4.0
73.28676	2.4
74.09714	3.8
75.98061	2.3
77.03973	2.5
79.05502	15.6
79.94449	2.5
81.03432	13.1
81.07062	37.0
83.05003	14.7
83.08635	6.1
85.02914	19.7
85.06538	5.5
86.09714	6.4
87.67571	2.3
91.05489	20.2
93.07053	40.8
95.04973	12.0
95.08627	29.3
97.02903	11.5
97.06540	25.2
99.04462	17.5
99.54956	2.4
105.07037	32.0
107.04965	7.8
107.08607	23.5
109.02881	9.2
109.06521	22.8
109.10136	3.5
111.08070	24.3
113.06021	5.0
118.06524	2.3
119.08595	16.6
120.08090	4.7
121.06513	54.7
121.10126	5.1
123.04416	5.6
123.08082	8.1
123.11711	11.4
125.05995	10.8
127.03923	18.8
127.07550	6.0
129.06956	2.9
131.08582	6.4
133.10117	18.2
135.04417	4.0
135.08052	9.1
135.11769	2.6
137.05995	5.1
139.07556	25.4
141.42700	2.5
142.07794	3.5
143.07048	10.6
143.08572	4.8
145.04915	3.2
145.10132	5.4
147.08032	4.6
147.11702	41.6
149.09642	2.9
149.13235	3.2
151.07484	2.4
151.11211	5.1
157.06483	2.7
157.08626	11.0
157.10121	14.7
157.36798	2.5
159.06557	9.8
161.09650	3.0
161.13268	8.0
164.07002	2.4
165.12787	17.8
167.07068	2.8
169.12251	22.4
171.11710	15.1
175.11206	36.9
181.04953	5.8
181.10153	5.2
187.06036	5.1
189.12733	21.5
193.12253	35.8
199.11174	19.5
205.07062	6.0
207.13849	16.9
211.13295	39.5
217.12259	77.1
225.14789	2.6
229.14334	11.2
235.13322	85.3
253.14375	100.0
271.15494	18.8
331.11685	3.2
379.17410	5.0
397.18594	17.0
415.19431	6.5
433.19931	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	433.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.9
55.01868	6.3
55.05511	8.2
57.03426	6.8
61.02906	3.0
65.03947	2.4
67.05503	16.0
69.03088	2.1
69.03436	27.4
69.07065	15.9
69.92012	7.1
70.06575	2.3
71.04994	16.7
72.08170	2.0
73.02927	1.8
79.05496	17.6
81.03421	27.2
81.07058	40.8
83.04981	23.0
83.08620	5.3
85.02910	38.8
85.06541	6.3
86.09698	3.0
91.05476	14.2
93.07043	50.4
95.04988	15.3
95.08611	27.2
97.02892	16.6
97.06538	30.9
99.04462	21.0
101.06016	2.8
105.07029	32.5
107.04942	5.1
107.08589	22.4
109.02891	27.8
109.06514	22.1
109.10143	8.3
111.04456	2.3
111.08077	31.5
113.06024	5.2
115.05408	1.9
115.07509	2.0
117.07010	4.3
119.04917	4.4
119.08585	18.2
121.02830	10.4
121.06500	52.6
121.10127	4.3
123.04447	3.5
123.08076	6.1
123.11719	12.6
125.06002	19.3
127.03922	37.5
127.07561	6.5
129.05490	2.0
131.08556	5.1
133.06494	3.0
133.10132	17.8
135.08055	12.8
137.05948	4.0
139.07549	18.6
141.05392	2.0
142.07765	2.5
143.07034	16.6
143.08588	5.3
145.02843	2.2
145.04999	4.4
145.06459	2.6
145.10127	6.3
147.04439	2.7
147.08012	4.8
147.11687	47.3
149.02380	2.2
149.09576	2.2
149.13280	3.7
151.07521	2.4
151.11130	8.9
157.08612	8.8
157.10136	10.2
159.04495	1.8
159.06502	5.9
161.06018	2.3
161.13280	10.2
163.03876	3.7
163.14798	1.7
165.01813	12.3
165.12746	18.3
167.03412	2.5
167.07082	1.7
169.12236	34.7
171.11676	10.7
173.06013	2.2
173.08275	1.7
173.09641	2.9
173.13226	1.6
175.11189	29.4
181.04890	3.3
181.10109	3.2
181.23201	1.5
183.02914	2.3
185.11664	1.8
187.03955	1.7
187.06030	11.3
189.12732	18.1
191.14310	3.1
193.12236	40.1
199.11195	18.5
205.07025	14.1
207.13814	17.4
209.15161	1.7
211.13287	48.7
215.07008	3.3
217.05026	3.8
217.12254	70.3
225.14940	2.3
229.14340	19.9
235.13303	82.7
249.07610	2.5
253.14360	70.3
255.06592	2.2
256.07489	1.7
267.06506	6.4
270.05386	3.4
270.08752	1.8
271.06021	6.6
271.09647	2.3
271.15430	8.8
281.08133	5.1
283.06009	100.0
284.06790	16.0
285.07574	1.8
287.05475	23.0
289.16422	2.7
295.06113	10.9
295.09262	2.4
297.07623	7.4
305.08005	1.9
309.04108	2.6
309.07516	16.3
313.07053	75.9
321.07764	3.3
323.09174	16.7
331.11722	3.8
333.07486	2.2
337.07092	34.2
343.08313	1.7
347.86261	1.6
349.07098	8.2
351.08701	4.8
361.07120	8.1
361.16568	2.8
367.08127	25.2
372.86627	1.6
379.08139	17.6
379.17514	5.7
397.09174	25.3
397.18378	10.6
415.10245	21.5
433.11218	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	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	3.2
53.03942	19.0
55.01863	10.3
55.05505	9.7
57.03435	8.2
61.02935	4.1
67.05508	15.5
69.03427	36.6
69.07066	16.8
70.29433	9.1
71.01364	3.9
71.05000	20.7
73.02914	5.6
79.05494	15.0
81.03418	70.8
81.07049	42.9
83.04977	23.1
83.08610	5.7
85.02910	40.4
85.06531	7.9
86.09724	4.0
87.00796	3.2
87.13934	2.5
91.05470	14.0
93.07038	52.5
95.04965	19.7
95.08605	41.8
97.02909	22.2
97.06538	34.0
99.03860	3.6
99.04456	48.4
105.01883	3.9
105.07034	33.2
107.04948	7.5
107.08614	23.5
109.02880	50.9
109.06525	26.7
109.10146	7.6
111.08099	26.1
113.06008	2.7
118.81830	2.7
119.08591	21.9
121.06505	60.0
121.10149	4.3
123.04424	5.7
123.08070	8.5
123.11700	13.8
125.05983	24.6
125.09695	2.9
127.03910	48.2
127.07552	8.1
129.07018	3.3
131.08546	6.0
133.06439	4.6
133.10138	20.2
135.08032	12.3
137.05965	6.4
137.09604	5.3
139.07501	22.4
142.07831	3.8
143.07057	13.8
143.08607	4.8
145.04980	8.5
145.07530	7.0
145.10210	7.2
147.08061	6.2
147.09172	14.8
147.11694	43.2
149.13210	3.4
151.07559	3.4
151.11185	7.8
157.08607	12.1
157.10115	12.6
159.02852	3.4
159.06525	10.6
159.11617	2.8
161.13252	10.1
163.03889	2.7
163.14851	3.6
165.12790	18.2
169.12230	38.5
171.11740	14.0
173.07098	6.2
173.09573	3.3
173.13324	3.2
175.08765	15.7
175.11188	36.7
181.10143	4.2
185.08087	10.8
187.05977	12.7
189.12794	25.9
191.08159	67.5
193.12239	38.0
197.08063	3.4
199.11163	20.6
205.07065	12.7
207.13806	15.5
209.08156	5.5
211.13316	44.1
217.12236	75.1
227.09131	5.9
229.14349	20.2
235.13280	96.3
253.14354	100.0
271.10648	4.4
271.15469	17.2
287.05533	5.6
289.11853	14.6
289.16394	5.3
307.12924	28.4
331.12906	8.1
355.17657	2.9
367.87671	2.9
370.94064	2.8
379.17499	5.3
397.13760	11.0
397.18671	13.5
415.14975	13.5
415.19806	4.6
433.16153	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	433.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18637	2.2
51.31583	2.1
52.52365	2.2
53.03935	7.3
55.01870	5.1
55.05502	6.5
57.03425	3.3
67.05494	15.8
69.03136	2.8
69.03431	25.7
69.07067	18.5
71.04980	10.5
71.36478	2.5
71.36818	2.8
73.06537	2.3
79.05501	12.4
81.03427	26.0
81.07056	40.7
83.04984	17.8
83.08635	5.7
85.02905	17.7
85.06540	6.8
91.05486	11.5
93.07049	42.5
95.04974	17.5
95.08601	32.5
97.02894	13.0
97.06538	26.2
99.04458	22.6
105.07033	30.8
107.04942	3.7
107.08604	21.8
109.02876	24.6
109.06511	21.4
109.10142	8.9
111.08083	31.1
113.05994	7.7
119.08604	19.2
121.06505	53.7
121.10136	6.4
123.04409	4.2
123.08050	7.0
123.11697	11.7
125.05994	16.7
127.03922	31.0
127.07561	10.6
129.06973	4.9
131.08559	9.0
133.06494	2.3
133.10126	20.3
135.04367	3.8
135.08035	12.8
137.05984	6.5
139.07562	14.9
142.07813	2.9
143.07040	17.8
143.08548	7.0
145.04947	2.9
145.10141	5.6
147.08116	4.5
147.11685	37.6
149.09532	3.1
149.13248	3.6
151.07567	3.4
151.11174	8.4
157.08603	9.5
157.10112	14.2
158.07428	2.5
159.06494	9.6
161.13257	12.2
165.12756	14.2
165.64986	2.5
166.07738	2.7
169.12228	25.9
169.69781	2.5
171.08022	4.4
171.11687	13.2
175.11171	31.0
180.98982	2.1
181.10172	4.7
187.06032	10.8
189.12741	20.0
193.12251	36.1
199.11171	16.1
205.06966	4.8
207.13869	12.6
211.13293	37.0
217.12259	79.5
229.14354	15.6
235.13290	100.0
253.14345	83.0
269.29071	2.2
271.15347	12.0
289.16492	6.1
379.17407	6.7
397.18628	12.1
415.19403	4.1
450.79730	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01862	6.8
55.05491	9.8
57.03416	6.0
67.05489	11.4
69.03426	21.7
69.07057	20.8
70.96621	7.5
71.04986	7.4
72.08144	2.8
77.34914	2.9
79.05499	19.5
79.28252	2.7
81.03416	27.4
81.06653	3.9
81.07057	40.8
83.04497	2.5
83.04974	22.5
83.08604	4.2
85.02892	24.8
85.06544	6.0
91.05478	19.6
93.07040	53.5
95.04964	19.0
95.08605	37.6
97.02888	22.4
97.06523	32.1
99.04446	29.6
105.07034	38.7
107.04967	4.8
107.08574	25.3
109.02896	20.9
109.06515	27.9
109.10139	7.1
111.08080	27.5
113.06017	4.5
119.08574	18.4
121.06507	64.4
121.10094	6.3
121.76052	2.6
123.04395	4.7
123.08047	6.2
123.11676	13.5
125.05991	22.3
127.03905	31.4
127.07555	8.4
129.06973	4.9
131.08600	5.7
133.06512	3.6
133.10121	18.7
135.08040	11.9
137.05966	5.5
139.07523	27.3
143.07040	12.4
143.08543	7.2
145.04945	4.1
145.10136	7.6
147.11688	43.4
149.09639	3.4
151.11162	6.3
155.08466	3.6
157.08582	14.3
157.10120	17.1
158.09695	5.7
159.06523	12.9
161.13264	9.4
165.12711	17.5
169.12231	36.9
171.11688	13.3
175.11162	34.2
179.02036	2.9
187.05878	15.2
189.12703	21.1
193.12238	34.2
199.11194	24.0
205.07040	7.4
207.13803	9.2
211.13286	38.1
217.12227	68.4
229.14386	16.7
235.13281	94.4
247.52049	3.0
253.14339	100.0
271.15320	13.7
285.10004	6.4
295.64508	3.2
379.17499	5.7
397.18518	12.3
433.15076	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	433.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.0
53.52493	3.1
54.57730	3.5
55.01857	12.7
55.05516	18.1
57.03427	6.1
58.24094	3.4
67.05505	38.4
69.03446	27.9
69.07072	23.4
69.54482	25.6
70.06578	3.6
71.04980	12.6
79.05495	41.9
81.03416	24.8
81.07061	51.3
83.04978	24.6
83.08607	13.2
85.02906	19.8
85.06531	3.6
86.06068	7.6
91.05474	32.1
93.07046	57.9
95.04967	34.4
95.08611	48.0
97.02915	19.8
97.06538	43.1
97.10166	10.4
99.04454	26.8
105.07029	42.1
107.04931	10.1
107.08591	42.1
109.02902	21.2
109.06507	28.6
109.10133	12.7
111.08116	26.4
113.06010	5.7
117.06988	8.3
119.08572	27.5
121.06509	69.2
121.10126	8.1
123.04443	5.3
123.08036	8.3
123.11697	11.2
125.05969	14.3
125.09571	8.5
127.03893	29.1
127.07552	8.3
128.06248	4.4
129.07004	13.7
131.04903	7.2
131.08551	12.8
133.06459	8.9
133.10123	24.0
135.04405	6.9
135.08034	17.0
135.11624	5.0
137.05951	7.4
139.07510	22.9
143.07014	14.1
143.08553	14.2
145.06461	8.2
145.10126	15.3
147.04433	4.1
147.08075	9.2
147.11688	49.4
149.09627	7.0
149.13177	4.8
151.03970	4.6
151.11162	12.5
153.09106	4.9
155.08450	5.0
157.08661	8.7
157.10091	14.0
159.06519	9.7
159.11783	5.9
161.09566	7.5
161.13210	11.9
163.03938	10.2
163.11162	5.8
165.12750	17.5
169.10040	4.3
169.12242	23.7
171.07941	4.7
171.11691	21.5
173.02335	5.1
175.11177	32.0
187.06052	6.9
187.11288	4.3
189.12712	26.6
193.12254	32.9
199.11218	24.2
205.07028	10.2
207.13780	12.1
211.13261	45.8
216.15860	4.7
217.12268	72.9
217.16241	4.4
225.12694	4.8
225.14728	4.6
229.14323	16.3
235.13301	92.2
239.77869	3.8
253.14355	100.0
259.09671	5.2
271.15186	17.2
280.79379	3.5
285.07483	4.8
289.16528	8.1
323.20105	10.5
341.21106	41.2
359.21976	8.5
397.18796	12.1
397.23657	4.3
415.24771	15.7
433.25742	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	16.6
55.01859	9.4
55.05503	11.0
56.51035	2.8
57.03418	4.7
57.07063	3.1
58.41098	2.7
60.04158	2.6
67.05518	17.2
69.03426	33.3
69.07063	12.1
70.82540	5.7
71.04993	14.8
73.02939	4.0
79.05495	15.4
81.03421	65.7
81.07054	38.0
83.04990	18.7
83.08614	6.0
85.02901	33.0
85.06549	7.0
86.09687	8.1
87.00824	3.4
91.05491	12.9
93.07043	52.1
95.04951	18.1
95.08613	36.6
97.02904	24.3
97.06525	33.6
99.04460	48.1
102.97784	3.1
105.01886	2.5
105.07040	35.6
107.04939	4.4
107.08585	25.3
109.02881	44.1
109.06519	26.7
109.10124	9.1
111.04436	3.3
111.08077	29.6
113.06019	5.9
117.06979	3.6
118.06529	2.9
119.08593	18.5
121.06508	60.5
121.10133	8.0
123.04405	4.1
123.08047	6.6
123.11691	10.5
125.06004	22.5
127.03914	43.5
127.07579	9.3
128.06090	2.4
129.06996	3.5
131.08527	5.6
133.06480	2.8
133.10126	20.4
135.08046	11.1
137.06044	5.2
137.13254	3.9
139.07535	23.1
143.07080	14.2
143.08487	5.4
145.04944	6.4
145.07584	4.4
145.10112	6.8
147.08058	4.5
147.09126	15.1
147.11688	48.0
149.09586	4.9
149.13280	6.0
151.11150	7.7
157.08607	9.8
157.10080	10.1
159.02892	3.3
159.06517	8.6
161.05923	2.8
161.13245	8.1
163.03850	3.0
165.12762	13.0
169.12218	26.4
171.11722	13.3
173.07074	9.9
173.09520	5.4
175.08742	16.1
175.11182	37.3
185.08066	9.3
187.06029	9.1
189.12724	20.1
191.08185	55.1
193.12259	36.3
196.40010	2.8
199.11206	22.8
205.06989	13.6
207.13820	15.9
209.07967	4.7
211.13266	42.9
217.12247	76.5
227.09001	5.7
229.14330	18.5
235.13295	100.0
253.14372	99.7
264.41800	3.0
271.10727	4.9
271.15390	13.8
289.11700	13.9
289.16400	4.9
293.10538	3.6
307.12854	21.9
331.12848	8.6
371.15884	3.9
379.17285	7.1
397.13858	12.6
397.18631	14.7
415.14783	11.7
415.19778	6.1
433.15891	15.9
433.29153	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	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05519	7.9
57.03442	10.6
57.07074	1.3
67.05508	45.4
69.07053	6.2
69.62443	1.4
70.75663	3.8
71.05031	1.3
75.04465	1.7
79.05071	2.0
79.05499	25.6
79.05937	0.9
81.07060	49.4
83.08613	4.7
85.06529	1.4
91.05485	14.1
93.06484	2.4
93.07050	33.3
95.04942	1.4
95.08619	36.8
97.06559	1.8
97.10175	2.2
98.98470	61.5
99.08121	1.5
105.07048	10.3
107.08600	23.7
109.10155	18.0
117.07014	3.2
119.08576	7.8
121.10149	17.9
123.11728	8.7
129.05428	1.3
131.08582	9.0
133.10133	7.0
135.11699	11.7
137.13240	3.3
145.10152	7.7
147.11682	6.3
149.13252	9.2
155.01076	7.9
159.11705	5.7
161.13264	5.4
163.14795	6.1
173.02113	13.3
173.13283	5.5
175.14819	1.5
177.16354	1.8
187.14813	4.7
193.42242	1.3
202.30301	1.2
233.22661	1.3
239.80650	1.2
243.21106	12.0
261.22153	40.2
317.24863	6.3
328.67731	1.5
335.25812	100.0
336.26138	2.4
415.22314	3.0
433.23593	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03939	2.3
55.05518	9.5
57.03439	10.3
57.07064	2.5
63.99336	1.2
65.03933	2.5
67.05508	47.3
69.07076	9.0
69.57002	6.1
69.57417	1.7
69.67076	1.2
71.08620	2.1
75.04466	1.2
79.05073	2.3
79.05499	31.3
81.07059	46.8
83.04993	1.4
83.08632	6.2
85.06529	2.0
91.05487	13.1
93.07050	39.6
95.04980	2.7
95.08614	40.5
97.06528	2.3
97.10181	2.7
98.98472	51.0
99.08093	1.7
105.07036	12.8
107.07898	1.4
107.08603	26.7
108.69920	1.2
109.06496	2.3
109.10162	14.7
113.09624	1.7
117.06994	4.7
119.08582	10.8
121.10160	18.9
123.11704	6.4
129.05508	1.7
131.08578	12.8
133.10155	8.4
135.11694	14.5
137.13261	3.2
145.10129	8.3
147.11694	6.8
149.09590	1.7
149.13272	8.7
155.01041	7.1
159.11711	7.4
161.13251	4.8
163.14847	10.4
165.09138	1.4
173.02174	7.2
173.13261	8.3
175.14848	2.4
177.16379	4.3
179.14333	1.9
185.20470	1.2
187.14865	3.7
201.16418	1.2
225.70863	1.1
233.22624	3.5
243.21078	21.6
261.22159	44.8
261.84836	1.2
279.23172	1.8
317.24692	6.7
335.25821	100.0
336.26138	2.0
415.22473	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	433.2352
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03937	1.8
55.05512	10.1
57.03452	9.2
57.07076	2.1
57.69016	1.5
67.05508	39.7
69.07069	6.6
69.99420	4.8
69.99837	3.2
79.05495	23.2
81.07053	49.0
81.07532	2.7
83.08637	3.5
85.06519	1.7
91.05481	12.2
93.07046	33.3
95.04992	2.2
95.08607	38.0
97.06525	1.6
97.10162	2.7
98.21484	2.7
98.98469	58.9
99.08022	1.6
105.07019	8.0
106.70026	1.4
107.08595	20.4
109.10155	19.8
114.20788	1.4
117.07014	4.5
119.08580	10.4
121.10139	18.4
123.11708	7.8
131.08575	8.8
133.10106	8.1
135.11702	16.0
137.13277	3.2
145.10092	8.0
147.11693	6.2
149.13263	11.2
152.55058	1.2
155.00999	7.4
159.11711	6.2
161.13269	4.7
163.14838	6.1
168.76614	1.4
173.02121	10.9
173.13269	6.5
174.64404	1.5
175.14851	2.7
177.16383	2.8
184.32330	1.4
184.84384	1.3
187.14880	3.5
233.22580	2.1
243.21063	13.0
261.22147	38.9
262.22437	1.6
317.24673	5.7
335.25800	100.0
403.09286	1.5
415.22308	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	433.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.4
55.05508	11.6
57.03441	10.2
57.07083	4.3
67.05506	51.8
69.07053	14.6
69.55718	19.6
71.04999	3.3
71.08645	3.2
79.05499	40.8
81.07068	62.1
81.35577	2.5
83.08625	8.0
85.02895	4.5
91.05482	22.5
93.07051	64.6
95.04987	4.8
95.08004	3.2
95.08612	48.5
97.06542	6.5
98.21525	6.9
98.98477	100.0
99.08119	3.9
103.56185	2.8
105.07032	20.6
107.08600	36.7
109.09444	4.2
109.10164	25.3
117.07031	11.1
119.08580	14.7
121.10140	30.3
123.08026	3.7
123.11723	8.5
131.08614	18.3
133.10146	12.3
135.11705	22.4
137.13258	3.9
145.10138	15.6
147.11719	9.1
149.09659	4.5
149.13254	15.4
155.01033	27.6
159.11681	8.3
161.13275	11.2
163.11194	3.6
163.14824	10.4
173.02104	19.7
173.13261	9.7
175.14806	3.3
177.16357	3.7
187.14902	3.8
201.33519	3.1
233.22758	5.7
243.21150	32.1
261.22144	83.8
262.22501	4.3
317.24808	10.2
335.25824	68.7
335.29852	3.4
336.26334	2.9
415.22397	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	433.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.05519	8.3
57.03447	9.7
57.07078	3.6
65.03931	2.9
67.05186	3.1
67.05514	48.9
69.07062	11.4
69.61290	11.0
71.04981	1.6
71.08643	2.0
79.05072	2.4
79.05501	30.5
79.23335	1.7
81.07063	60.3
83.08626	8.9
91.05497	16.6
93.07049	43.1
95.04984	2.4
95.08611	44.9
95.09183	3.5
97.06558	2.5
97.10178	3.9
98.20860	3.6
98.98469	50.1
99.08068	2.1
105.07018	10.7
107.08611	25.9
109.06532	2.2
109.10159	19.3
113.09673	3.8
117.07062	5.3
119.08583	11.0
121.10162	24.3
123.08077	2.5
123.11716	6.1
131.08611	12.7
133.10127	9.5
135.11690	14.3
137.13275	2.6
145.10158	10.4
147.11708	6.9
149.09642	2.1
149.13278	12.0
155.01059	5.9
159.11719	6.9
161.13290	5.9
163.14839	10.6
173.02133	11.2
173.13295	7.7
175.14868	2.5
177.16371	5.9
187.14909	3.6
233.22655	5.4
243.21114	26.8
261.22189	47.2
265.07993	1.9
317.24774	5.8
335.25827	100.0
336.26279	2.1
361.22250	2.8
433.14777	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	7.1
55.01868	5.7
55.05505	1.9
57.03447	6.8
59.04988	1.5
60.04507	2.6
61.02911	5.6
67.05494	2.3
68.99795	2.8
69.03433	32.8
70.06587	4.9
71.04974	3.9
71.51407	2.3
73.02914	7.0
79.05507	2.6
81.03422	27.5
81.07054	1.4
83.04973	1.3
84.04509	2.1
85.02910	100.0
86.06049	5.5
86.09697	3.4
87.00317	2.1
87.00837	39.3
87.04472	6.5
91.03941	2.5
91.05485	17.8
95.04963	2.9
97.02898	29.5
98.06076	2.3
99.04455	16.0
105.01873	48.8
105.07011	5.4
107.04978	3.2
108.04463	5.2
109.02879	28.2
109.06516	2.5
111.04460	1.8
115.03938	1.5
117.01849	3.9
119.04945	12.3
123.08082	1.5
126.05519	2.1
127.03924	68.6
129.01830	3.8
129.07011	2.4
130.04985	1.5
131.08533	1.8
133.06488	3.3
135.06516	1.5
136.05191	1.6
137.05971	7.2
142.23613	1.3
143.04918	1.5
143.08560	2.2
145.04970	31.4
147.02844	3.1
148.07599	2.0
151.07550	59.0
157.06488	3.7
159.02899	15.4
161.05994	3.8
165.09134	19.6
169.08652	1.7
171.02863	1.6
171.08086	2.4
174.06737	1.6
175.07498	4.4
177.05519	1.6
178.08595	1.5
179.07010	2.3
181.04922	2.8
189.03926	6.4
189.09087	5.4
193.08618	41.0
199.07578	3.1
206.10210	2.9
209.15436	2.6
211.09618	4.6
213.04015	2.3
217.08685	6.9
230.06627	1.9
231.05006	18.6
231.10056	1.7
235.09662	17.6
248.07660	3.7
249.06133	3.4
253.09778	2.3
259.09720	17.5
277.10745	41.6
277.13788	2.1
363.10666	4.4
381.11710	10.7
404.14185	2.8
416.23029	2.2
434.16708	6.8
434.23740	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0922
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03424	0.8
61.02923	2.1
68.99799	0.6
69.03427	0.5
70.91408	0.4
71.01366	0.3
73.02921	13.7
74.04376	0.3
85.02901	0.5
86.41096	0.2
91.05497	1.4
92.05846	0.3
109.02876	0.5
111.00789	0.9
115.03917	1.4
121.02869	1.0
126.70128	0.3
127.03909	0.5
137.02356	2.9
149.02344	0.2
153.01826	3.8
163.03934	0.5
165.01820	1.9
166.14233	0.3
173.06023	0.4
183.02916	0.9
183.04420	0.3
187.03888	0.3
195.02713	0.3
201.05539	1.5
229.04980	4.8
247.05948	0.6
257.04468	3.1
274.04739	0.7
274.47678	0.3
285.03949	1.4
303.04999	100.0
304.05359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.2
55.01865	2.4
55.05516	11.3
57.03444	4.3
57.07084	12.3
59.05001	2.8
67.05518	4.1
69.03435	24.5
69.07074	48.0
70.23460	6.2
71.04996	7.2
71.08640	6.7
73.02917	2.5
73.06560	10.4
73.31222	1.4
74.23094	1.7
79.05496	3.8
81.03426	29.2
81.07064	5.8
83.04989	3.7
83.08627	5.1
84.04511	1.9
85.02913	54.3
85.10185	4.1
86.09729	2.5
91.05486	2.3
93.07053	4.3
93.94244	1.8
95.08625	4.3
97.02901	27.3
97.06538	6.2
98.21485	2.7
99.04469	38.8
101.02380	2.3
103.03959	35.0
105.07071	4.3
107.04925	1.6
107.08583	3.3
109.02888	35.1
109.10205	3.3
111.04469	3.8
111.11739	34.9
115.03995	1.7
117.07007	2.2
119.08578	2.7
127.03930	100.0
127.11204	6.7
129.12761	22.3
133.10147	1.7
135.11708	2.5
145.04991	25.9
157.10202	1.7
157.12271	3.2
159.52583	1.5
163.06042	5.3
167.06987	4.0
173.05997	2.4
181.05016	6.5
187.04349	1.4
187.06027	39.6
187.07666	3.1
193.12384	1.6
197.35797	1.7
205.07132	3.0
211.13390	3.5
233.08058	2.5
253.07207	4.1
259.09723	2.2
271.08090	12.0
289.09155	7.7
291.17938	4.0
303.05057	5.1
315.18030	29.7
345.82996	1.7
367.13458	1.9
435.19620	2.7
435.24701	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	435.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	17.8
56.88846	1.3
57.03445	9.2
57.07073	4.3
67.05513	40.4
69.07076	18.1
69.81460	4.9
69.81870	2.7
70.28527	1.5
70.44724	1.8
71.08632	2.0
77.65376	1.4
79.05506	11.2
81.07063	43.3
83.04990	1.8
83.08640	11.8
91.05483	7.2
93.07055	12.6
95.08617	41.1
97.06549	2.9
97.10189	7.1
98.98473	54.1
105.07049	5.9
107.08568	7.8
109.06530	2.1
109.10172	15.8
111.08102	2.5
111.11749	2.3
115.75993	1.7
119.08590	5.4
121.10176	8.5
123.11722	6.3
133.10146	5.5
135.11687	3.2
137.13290	1.8
145.10210	1.8
147.11691	4.5
149.13268	3.5
151.14944	2.4
155.01056	21.5
161.13281	2.9
163.14850	1.9
173.02161	9.9
175.14868	2.3
245.22681	11.0
263.23752	21.8
337.27386	100.0
338.27713	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	435.2509
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.03942	1.4
55.05518	13.5
57.03440	8.6
57.07073	4.1
65.03939	1.7
67.05509	40.6
69.07075	20.0
69.44860	11.2
70.70303	2.0
71.05004	2.1
71.08605	2.4
79.05496	12.0
81.07059	44.9
83.08627	11.5
84.74422	1.6
91.05469	8.6
93.07043	12.8
95.08612	38.4
95.09183	3.1
97.06541	2.6
97.10165	7.3
98.98473	58.9
105.07043	5.6
107.08595	6.4
109.10152	17.3
111.08096	2.7
111.11719	2.0
116.35649	1.5
116.99523	1.6
119.08572	6.6
121.10149	5.9
123.11729	7.0
128.27104	1.6
133.10152	4.8
135.11708	3.6
137.13222	2.3
147.11687	3.7
149.13242	2.4
151.14804	2.7
155.01064	21.7
161.13283	3.3
173.02138	7.5
175.14867	2.5
189.16518	2.3
214.32169	1.7
243.94159	1.5
245.22723	12.2
263.23746	24.7
291.01227	1.9
313.67554	1.8
337.27383	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05312	1.6
55.05517	18.2
57.03448	9.6
57.07076	3.5
66.91820	1.5
67.05507	43.0
68.65089	1.7
69.07070	21.0
69.28679	5.8
69.29102	9.7
71.08630	1.5
79.05495	10.6
81.07064	41.2
83.04994	1.7
83.08622	11.1
91.05478	10.8
93.07044	13.9
95.08608	42.5
95.09186	3.2
97.06544	4.6
97.10173	3.9
97.51211	1.6
98.98470	54.6
99.47726	1.6
105.07049	5.4
105.79987	1.5
107.08608	6.8
107.15603	1.7
109.10157	16.5
111.08150	1.6
111.11660	1.8
119.08588	6.0
121.10138	7.3
123.11729	5.2
125.24911	1.6
128.63152	1.6
129.45982	1.7
133.10124	3.4
135.11736	2.5
137.13272	3.4
137.85266	1.7
147.11687	3.7
149.13249	3.9
151.14890	2.7
155.01047	26.3
161.13231	2.8
163.14825	2.6
165.16394	2.2
173.02145	5.0
175.14842	2.5
208.98564	1.6
221.91185	1.6
245.22725	13.3
263.23709	24.8
294.66312	2.2
296.47504	1.6
337.27377	100.0
364.75323	1.7
401.04236	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
53.87072	0.3
55.01869	0.4
55.05503	1.0
57.07052	0.3
61.02896	0.3
61.20033	0.3
65.03918	0.6
67.05495	0.6
69.03433	1.8
69.07045	0.5
70.06592	1.2
71.51200	0.3
72.08147	1.1
79.05493	1.8
81.03421	1.4
81.07059	0.9
83.04970	0.3
84.04482	0.3
85.02908	4.0
86.09691	0.5
87.00830	1.9
87.04506	0.3
91.05489	3.8
93.07045	8.5
94.47086	0.3
95.04963	0.4
95.08605	1.3
97.02896	2.0
99.04473	0.5
105.01860	2.5
105.07047	2.5
107.08598	20.3
109.02887	1.4
109.06506	0.8
109.10131	0.4
119.06126	0.3
119.08574	1.9
120.08101	0.7
120.09390	0.3
121.06504	0.3
123.08077	0.9
127.03916	2.5
129.01851	0.3
135.11696	100.0
136.06215	0.4
136.12039	0.9
137.13292	0.3
137.23892	0.3
144.42326	0.3
145.04964	1.2
151.11156	0.3
153.12692	1.4
159.02924	0.6
167.07004	0.5
181.05008	0.9
182.05183	0.4
193.12268	0.6
214.38251	0.3
221.11786	0.5
231.05005	0.8
239.12811	0.8
249.06099	0.8
326.16373	0.3
337.29425	0.3
436.21948	0.9
436.27213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.9
64.38452	1.8
69.03413	3.5
70.06587	6.5
70.43553	6.9
74.06111	2.2
79.05490	4.0
81.03418	2.3
81.07069	3.6
84.04488	2.0
84.08145	5.5
85.02906	6.4
86.09703	4.8
91.05482	6.9
92.51626	2.1
93.07051	11.8
95.08610	4.4
97.02885	4.6
103.03848	2.4
105.07034	100.0
107.08597	7.8
109.10233	2.5
117.07037	13.4
119.08601	11.0
119.09286	1.9
121.06549	3.3
121.10160	12.9
127.03886	6.5
129.07021	2.3
131.08563	12.8
133.10123	7.9
133.52876	1.9
135.08025	3.8
135.11684	14.2
136.05109	2.8
137.63657	2.2
142.07771	4.4
143.08444	2.7
144.09280	2.1
145.10126	46.1
147.11668	16.0
149.05978	5.0
149.09624	8.6
149.13295	2.8
154.06165	2.9
157.10158	16.2
159.11702	22.3
161.13213	6.4
163.11189	37.9
175.11201	5.9
177.09117	5.7
177.12749	18.0
181.12230	2.9
191.10645	33.0
193.12256	2.8
195.10248	4.9
195.13812	2.7
203.10718	14.3
205.12247	6.6
209.11736	44.6
221.11749	24.5
223.13338	9.7
239.12801	8.8
243.21790	2.1
244.10074	1.9
253.49121	2.1
272.73776	2.2
293.99765	2.1
436.13007	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	436.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
57.07077	6.8
58.06585	1.4
67.05494	0.8
69.07060	0.7
69.85905	1.9
70.06596	14.2
71.08636	2.5
78.69132	0.3
79.05479	0.8
81.07063	0.9
83.04964	0.6
85.10173	1.2
88.07636	19.2
93.07037	0.5
102.09188	13.5
103.01845	2.7
109.10181	0.9
135.04428	4.1
153.05458	1.3
163.03908	69.4
163.05031	4.0
181.19794	0.4
183.50252	0.4
207.06540	78.4
212.23636	0.5
256.26364	47.8
283.22626	0.4
327.50888	0.4
356.59622	0.4
436.30624	100.0
437.30869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.05511	18.9
57.03207	0.9
57.03436	8.3
57.07078	8.3
60.48852	1.0
67.05506	15.5
67.60499	1.0
69.06732	1.9
69.07070	24.1
69.81213	3.5
69.81623	2.1
71.08619	4.3
71.75017	1.1
79.05516	5.7
81.07056	18.6
83.05020	1.5
83.08624	18.2
85.10187	2.5
89.06026	2.5
91.05483	1.6
93.07037	8.5
95.08604	16.3
97.06531	3.6
97.10175	11.2
98.21451	2.3
98.98470	36.3
107.08598	6.1
109.10152	8.0
111.08092	2.5
111.11732	3.0
121.10138	7.6
123.11671	2.9
135.11688	7.5
137.13295	1.4
149.13234	3.6
151.67159	0.9
155.01044	32.3
163.14905	1.3
173.02132	5.2
247.24226	4.7
250.46278	1.1
265.25272	16.0
339.28952	100.0
340.29245	1.4
419.25507	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	437.2664
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
55.05512	17.4
57.03449	7.9
57.07082	8.1
67.05511	14.5
67.05846	2.0
69.07074	25.5
70.78585	1.0
71.02610	1.3
71.04992	1.5
71.08630	4.3
79.05496	6.6
81.07060	18.1
83.04962	1.5
83.08629	16.2
85.10192	2.1
86.68156	0.9
89.06027	1.7
91.05476	1.0
93.07051	9.0
95.08611	19.1
97.06519	4.2
97.10184	10.4
98.98474	43.7
105.07035	1.3
107.08591	4.8
109.10172	8.5
111.08091	3.0
111.11730	2.1
121.10139	8.8
123.11685	1.8
130.28955	0.9
135.11699	6.8
138.25250	1.0
149.13300	2.2
151.14758	1.7
154.12282	3.0
155.01048	30.5
155.12534	1.7
165.16451	1.0
172.15344	1.1
173.02162	3.4
175.04482	1.7
192.88051	1.0
247.24109	4.7
265.25272	17.4
315.20480	0.9
336.00153	1.2
339.28943	100.0
419.25659	1.4
437.30307	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.05515	0.5
57.03448	0.7
60.73716	0.3
65.03952	0.7
67.05513	0.9
69.03464	0.4
69.07085	0.4
70.06622	0.3
71.52025	0.5
72.81283	0.3
73.02925	0.7
74.09734	0.5
77.33414	0.3
79.05510	1.3
81.03419	8.7
81.07057	1.7
83.04995	0.9
83.08621	2.1
84.04505	4.3
85.02909	1.0
86.09724	0.3
91.05484	19.1
92.05836	0.3
93.07070	0.9
95.04972	3.2
95.08618	0.4
97.02900	0.5
99.04466	0.4
105.07021	1.6
107.04983	1.0
107.08612	0.3
107.86006	0.3
109.02891	0.5
109.06518	0.3
109.10169	0.4
111.08099	1.3
117.07070	0.3
119.03561	1.0
119.08585	1.1
121.10146	0.7
123.08013	0.3
125.06001	0.3
126.05507	0.3
127.03925	0.7
129.06990	0.9
130.61710	0.3
131.08578	1.1
133.06512	0.6
133.10088	0.8
136.06189	100.0
137.04599	0.6
147.08054	0.5
147.11737	0.8
149.09605	0.4
157.10101	1.1
175.11165	1.4
191.14223	0.3
193.12251	6.0
211.13301	0.9
216.10168	0.3
217.08569	0.3
267.15903	2.6
285.16940	1.4
292.71561	0.3
294.10361	0.3
303.04846	0.4
304.05365	2.3
305.05566	1.7
306.05771	3.3
306.22266	0.3
376.14224	1.3
378.12131	0.5
420.17273	0.5
420.22403	7.4
438.14258	25.0
438.22543	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	438.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55054	0.3
53.30945	0.3
53.47296	0.3
55.05503	0.6
57.03427	0.5
67.05508	1.6
69.03420	0.3
69.07053	0.3
69.62669	1.1
69.63076	0.6
70.06558	0.3
72.47613	0.3
79.05493	1.9
80.20737	0.3
81.03422	9.2
81.07058	1.4
83.04965	0.5
83.08630	2.6
85.02918	0.9
86.09690	0.5
91.05486	2.3
93.07043	1.2
95.04974	2.6
95.08607	0.9
97.02924	0.5
97.06544	0.4
97.10155	0.3
98.20781	0.7
105.07018	1.5
107.04966	0.5
107.08588	0.8
109.02883	0.3
109.06539	0.4
109.10200	0.3
111.08085	1.3
119.03580	1.2
119.08599	1.5
121.10170	1.0
129.07019	1.2
131.08556	1.3
133.06488	0.3
133.10144	0.8
136.06192	100.0
137.04590	0.6
137.06572	0.4
147.11700	0.6
149.09698	0.5
155.07123	0.3
157.10162	1.2
162.05516	0.5
163.03935	0.4
175.11182	1.6
193.12245	4.9
193.13893	0.4
198.28990	0.3
211.13298	0.9
241.14328	1.2
267.15979	2.6
285.16934	1.8
300.25824	0.3
394.11963	0.3
420.22427	6.3
438.10892	1.3
438.23645	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	438.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.0
54.10870	1.6
55.05518	20.4
57.07066	7.0
60.06059	1.7
60.07829	1.6
61.47688	1.6
65.03931	1.9
66.92904	1.4
67.05184	2.5
67.05511	35.8
69.07072	19.3
71.08629	3.3
79.05499	73.8
81.06596	2.6
81.07059	39.6
83.04941	3.5
83.08611	6.8
85.06551	2.4
89.06039	43.5
91.05489	31.1
93.07050	100.0
95.04965	5.9
95.07996	1.9
95.08607	30.4
97.06499	2.3
97.10201	3.0
105.04528	2.1
105.07037	18.0
107.07015	1.5
107.07880	2.7
107.08601	48.8
109.10172	18.5
111.08093	2.2
113.05972	6.1
117.07029	5.8
119.08593	15.0
119.15768	1.7
121.10159	48.7
123.11719	4.7
129.06998	2.7
131.08560	6.2
133.08609	26.1
133.10098	14.7
135.10715	3.3
135.11700	51.6
137.09531	2.1
143.08556	2.6
145.10143	5.4
147.11656	9.4
149.09618	1.8
149.13264	27.6
151.09686	2.7
151.11131	2.2
159.11655	5.8
161.13295	8.3
163.11133	3.2
163.14801	7.1
171.11700	2.3
173.13269	2.8
175.14832	6.6
177.11200	4.2
177.12672	3.3
185.13203	3.3
195.12230	2.5
195.13875	2.3
199.14825	3.8
203.14302	2.5
209.15390	3.7
213.16486	3.2
217.19481	2.5
229.19003	1.7
231.17416	2.1
235.16884	3.3
239.14906	48.8
239.32857	1.6
241.17241	1.6
241.19505	8.0
246.35306	1.8
259.20621	11.1
291.23196	97.5
421.35727	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	438.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.4
57.03430	1.8
57.07081	78.8
63.43388	1.5
67.05517	1.8
69.07066	10.0
69.33160	5.7
69.33589	6.8
71.08639	71.3
80.32819	1.3
80.68288	1.4
81.07050	3.0
83.08602	4.3
85.10191	42.2
87.04476	2.1
89.06038	100.0
90.09166	1.4
91.07630	1.7
95.08587	2.4
97.10162	3.1
98.20727	2.5
98.98449	4.1
99.11143	1.6
99.11718	7.5
107.07052	1.9
111.11718	4.5
113.13290	5.6
115.72611	1.5
125.13253	1.9
127.14835	3.1
130.08675	3.8
133.08615	64.8
142.63889	1.7
151.09648	6.5
155.01054	2.6
169.48610	1.5
177.11246	17.4
181.30840	1.5
182.36098	2.0
195.12349	4.6
221.13754	2.9
239.14911	72.8
268.26227	1.5
271.26340	3.9
289.57098	1.5
315.28732	3.7
340.29312	12.3
421.35281	72.8
422.35812	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	439.0379
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96292	3.8
71.15499	1.0
94.80924	1.0
96.92237	100.0
107.17130	1.1
107.54475	1.0
109.01234	1.0
116.90248	0.9
132.16216	1.1
180.97498	2.7
185.04242	6.0
192.97508	1.2
198.16539	1.0
199.33139	1.0
203.05281	17.7
213.65193	1.0
216.95090	1.1
222.98552	1.0
277.09006	7.7
278.16473	1.1
365.10590	64.6
381.07953	22.5
439.08423	4.5
439.14188	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	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.4
53.10417	0.8
53.99693	1.0
55.01859	2.2
55.05510	5.1
57.03439	2.4
57.07074	1.4
61.02929	1.8
65.03936	1.2
67.05502	3.2
67.26932	0.8
68.99791	2.2
69.03434	11.4
69.07072	6.4
70.06600	3.0
71.04981	1.7
71.51141	1.0
73.02926	2.4
79.05493	4.6
81.03423	11.0
81.07063	10.4
83.04974	3.4
83.08614	2.1
84.08154	1.0
85.02435	1.5
85.02912	17.1
85.06554	2.6
86.09731	1.2
87.00853	7.2
91.05483	9.9
93.07050	5.3
95.04983	2.6
95.08611	7.5
97.02909	13.8
97.06524	2.1
98.97566	1.2
99.04467	4.6
103.03939	2.9
103.05470	1.0
105.01857	2.8
105.07040	25.1
107.04952	1.7
107.08614	8.6
109.02905	7.3
109.06527	3.2
109.10139	3.4
111.04449	2.8
115.05482	1.0
116.98596	1.3
117.01866	1.3
117.07009	4.0
119.08592	37.1
121.06501	1.7
121.10155	5.0
123.04403	1.3
123.08045	2.5
127.03938	17.0
128.98959	1.0
129.07005	2.0
131.08575	26.0
131.58492	0.9
133.10147	22.5
135.08076	4.7
135.11734	1.5
136.06197	3.9
137.04610	1.1
137.05959	1.3
137.13316	1.1
143.08554	2.9
145.04955	7.4
145.05956	1.2
145.10136	8.7
147.08028	1.7
147.11705	8.2
149.06032	1.2
149.09657	3.2
149.13272	1.6
151.07521	1.6
153.09131	1.1
155.14325	1.5
157.10101	1.4
158.10956	2.8
159.02875	2.6
159.11710	3.7
163.06090	1.3
163.11169	1.5
163.14844	1.4
171.11647	1.4
173.13284	34.4
173.15417	1.4
175.14844	100.0
187.11270	1.2
189.12759	2.1
191.14316	19.8
191.16151	1.6
199.10934	1.4
201.12749	1.9
203.14336	1.0
209.15329	1.5
211.13295	0.9
212.13582	1.6
213.12421	1.4
231.04997	3.3
255.13765	1.2
273.14795	1.0
299.16510	1.4
377.15579	1.1
421.18723	2.2
439.19525	3.0
441.35544	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
53.68763	0.5
55.01875	1.3
55.05499	2.8
55.76555	0.6
57.03437	1.3
59.49131	0.7
61.02909	0.6
65.03950	0.8
67.05509	2.2
69.03436	23.0
69.06728	1.1
69.07074	12.8
69.81547	2.9
71.04983	2.1
73.02920	0.8
79.05498	4.3
81.03426	12.7
81.07073	5.8
83.04973	2.8
83.08595	1.8
85.02906	9.2
85.06541	1.0
87.00826	3.9
91.05515	4.3
93.07057	5.2
95.04988	0.7
95.08622	7.1
97.02912	6.2
97.06533	1.7
98.97588	3.0
99.04467	4.9
103.03950	2.5
105.01864	2.0
105.07046	7.8
107.04968	2.3
107.08610	10.5
109.02892	12.3
109.06508	2.5
109.10147	1.2
111.08066	5.6
112.93804	0.6
117.07043	0.7
119.08605	6.6
121.06522	3.1
121.10162	11.8
123.08066	5.9
127.03928	13.1
131.08591	7.7
133.10149	9.0
135.08067	15.9
135.11662	2.4
136.06181	1.7
137.04576	0.7
137.09624	1.0
143.08624	1.8
144.09338	0.7
145.04997	3.8
145.06030	0.5
145.10176	3.1
146.11891	0.7
147.11703	4.6
149.09636	30.6
149.13255	2.9
150.10440	0.8
158.10892	2.9
159.02881	1.0
161.09723	1.0
163.05920	1.0
163.14819	2.9
173.13283	16.4
175.14859	4.1
189.12878	0.8
191.14325	100.0
192.14711	1.5
209.15378	3.7
231.05046	7.1
231.13791	0.9
277.07492	1.1
277.14401	0.8
295.08585	3.2
295.98184	0.6
299.16370	1.2
312.96762	0.7
319.08542	3.8
337.09622	2.2
368.33771	0.8
421.18185	1.1
439.19357	7.2
439.24292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31318	0.3
53.03949	1.1
55.01877	0.5
55.05520	2.5
57.03435	0.7
57.07066	0.8
65.03951	0.7
67.05508	3.0
69.03425	5.8
69.07061	1.7
69.29415	2.2
71.04983	0.5
79.05494	6.2
81.03433	1.5
81.07055	5.2
83.04977	2.5
83.08651	0.9
85.02908	2.3
85.06528	0.4
87.00830	1.5
89.44944	0.4
91.05476	5.9
93.07041	3.4
95.04959	3.4
95.08623	1.8
97.02897	1.1
97.06521	2.4
99.04459	0.7
103.05493	0.5
105.01867	1.6
105.06514	0.3
105.07033	7.6
107.04970	3.8
107.08597	16.2
109.02879	1.4
109.06510	2.0
109.10160	5.9
111.04433	0.4
115.05428	1.2
117.07024	1.6
118.07818	0.7
119.08583	3.2
119.24442	0.4
121.06500	2.0
121.10138	11.0
122.07288	5.3
123.08089	1.4
127.03925	3.3
129.07002	0.6
130.07780	0.5
131.08563	2.5
133.10129	100.0
134.10466	0.9
134.84799	0.4
135.08052	5.2
135.11708	1.4
137.05984	1.1
137.09616	49.9
143.08478	0.7
144.09436	0.4
145.04953	0.6
145.06514	0.4
145.10127	1.2
147.07999	0.6
147.11659	2.2
149.09628	4.3
149.13260	8.9
151.11168	0.4
156.09346	0.4
158.10892	1.1
159.08203	0.4
159.11650	0.6
161.09666	0.4
161.13193	0.5
163.14809	1.6
173.13271	5.4
175.11110	0.4
184.07153	0.4
187.11301	0.5
187.14761	0.4
189.12706	1.1
190.03848	0.4
191.14302	42.0
201.12657	0.5
207.13811	0.4
213.03925	0.8
213.09076	0.5
215.03363	0.7
231.04807	1.0
231.13867	0.7
233.04344	0.7
233.15347	0.7
239.08925	0.4
257.08087	0.6
263.25531	0.4
273.14893	0.6
310.63193	0.4
421.18155	0.9
439.13797	0.9
439.19519	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30664	0.6
53.03940	1.0
58.99588	5.9
60.09208	0.6
61.01155	0.6
67.05499	1.7
69.03403	1.0
69.91250	3.2
70.06567	0.8
72.08133	0.7
72.66222	0.6
76.02234	8.3
81.03402	1.5
84.04492	1.7
84.96080	0.8
85.02923	4.3
85.03359	0.8
86.99058	1.6
97.02869	1.2
98.21520	0.7
99.04447	1.5
99.08099	1.5
100.02206	5.9
102.03734	0.8
103.03934	3.5
105.00085	2.2
109.02890	0.8
109.07662	1.0
109.10146	0.8
115.70381	0.6
117.22117	0.7
119.08527	0.6
122.06061	1.4
127.03929	3.9
133.10222	0.8
136.07588	1.5
137.07104	0.7
138.05516	1.5
142.03195	0.8
145.04990	1.9
146.02699	7.6
148.03917	0.7
150.05470	1.3
158.09633	0.8
163.06024	1.5
170.09674	1.5
172.07579	1.6
175.08672	3.6
186.09140	2.8
187.12314	1.0
188.03770	2.5
189.10249	2.6
189.11801	0.7
196.07579	2.5
198.09236	4.3
199.08582	1.2
200.06998	1.3
210.09331	0.8
211.08646	1.0
212.09244	1.4
212.10988	0.9
213.10234	9.5
214.08780	3.5
214.10733	1.0
215.08089	1.3
215.11792	4.6
217.09703	4.1
226.07208	1.3
227.08209	1.9
227.11888	2.2
228.04897	0.7
229.09850	1.2
231.11348	1.9
235.10837	6.8
239.08124	1.3
240.08904	3.6
241.09717	28.4
242.04745	0.9
242.08214	3.0
242.10434	1.6
243.09164	1.1
243.11363	17.5
243.13699	1.4
254.06345	2.0
254.10577	2.5
255.11244	6.2
256.10617	1.1
257.12885	1.8
258.12439	10.0
259.10794	26.0
260.09229	2.2
271.13187	1.7
273.06854	1.3
273.12335	1.8
277.11929	1.7
282.09891	1.2
283.10855	7.3
284.09158	1.6
284.13907	1.4
285.12350	11.2
286.09567	2.2
299.08539	3.0
300.07098	0.9
300.11102	1.8
301.11874	26.2
302.10394	2.0
303.13419	3.2
304.47473	0.7
316.11920	1.2
317.09949	1.5
317.13708	19.1
318.12723	5.3
319.12891	4.5
333.08957	1.0
360.13699	1.3
362.11707	10.1
363.10132	4.9
378.14938	1.7
404.12762	17.0
405.11200	4.7
422.13837	100.0
423.12128	11.7
440.24063	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22211	2.4
53.03942	7.5
55.01847	2.8
55.05503	3.9
55.93514	3.1
57.03426	3.6
67.05474	3.6
69.03433	12.0
70.06563	5.8
70.09525	2.5
71.05009	3.2
71.52062	2.4
73.62392	2.7
79.05479	6.0
81.03425	12.6
81.07065	42.2
81.82963	2.5
84.80833	2.4
85.02909	65.5
85.15153	2.4
95.71495	2.4
97.02901	22.0
99.03928	3.9
99.04470	33.2
99.08102	41.0
103.03947	100.0
103.99374	2.7
109.02878	13.7
109.07593	3.0
115.07515	2.6
117.09142	71.0
121.10112	4.4
123.08071	4.6
127.03925	86.5
132.42673	2.5
145.04968	54.7
162.05464	7.3
163.06018	64.4
183.41722	2.7
187.06064	4.9
193.04958	7.7
205.06989	4.5
211.08124	2.9
268.08121	4.4
271.08051	4.2
289.09286	8.2
307.10220	22.1
314.07993	4.0
440.15585	7.2
440.24017	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	440.337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48674	1.7
55.05509	6.8
57.07074	5.5
65.03945	1.8
65.76785	1.9
67.05508	81.2
69.07066	9.4
71.02518	2.4
71.02839	2.8
71.08620	2.9
72.04522	34.3
79.05494	16.3
81.07059	100.0
83.08618	6.2
85.06544	2.9
87.05711	1.9
91.05477	6.0
93.07050	12.8
95.08610	77.3
97.10167	4.1
99.08154	2.0
105.07043	6.4
107.08591	9.8
109.10156	32.7
113.06033	2.6
117.07042	3.4
119.08574	4.9
121.10180	8.7
123.08073	2.3
123.11723	20.9
129.75401	1.7
131.08563	8.4
133.10150	3.6
135.11711	9.7
137.09662	3.4
137.13284	14.6
139.11182	1.8
145.10107	5.1
147.11729	4.5
149.09689	2.1
149.13225	3.6
151.11201	3.3
151.14832	4.8
159.11717	5.4
161.13248	4.1
163.11230	5.8
163.14816	3.2
165.12749	2.5
165.16443	3.4
166.08604	3.5
173.13312	8.8
177.12714	3.9
177.16431	2.6
179.14278	2.4
187.14787	5.4
187.82675	1.8
188.28922	1.8
191.14349	3.9
209.15431	2.0
223.17053	2.5
237.18599	2.2
239.14883	2.0
243.21066	14.4
261.22171	17.2
272.12918	2.9
278.21124	4.1
290.21130	9.0
293.24753	68.8
384.25223	2.4
392.08801	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	440.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.6
57.07079	28.5
67.05501	1.6
69.07060	2.8
71.08636	28.9
71.53421	1.6
73.06539	4.5
79.05492	1.4
81.07036	1.8
83.08608	4.1
85.10187	24.0
87.04461	2.7
89.06036	100.0
91.05484	1.3
93.07030	1.4
95.04959	1.2
95.08579	1.7
97.10125	2.1
99.11739	2.4
113.05993	3.5
117.09138	2.0
130.08612	1.5
133.08607	46.3
140.31477	1.1
141.16365	4.2
156.44063	1.2
177.11240	17.8
184.07353	1.7
185.18982	4.2
195.12196	2.4
216.15465	1.1
221.13808	1.9
224.88495	1.1
229.21660	12.6
238.94064	1.2
239.14894	1.8
273.24249	4.8
275.19980	1.8
283.17529	17.5
291.58017	1.0
335.27896	3.6
379.30573	2.1
423.33160	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0798
Annotation	6a,12b-Dihydro-3,10,11,12-tetrahydroxy-6-(3,4,5-trihydroxyphenyl)-[2]benzopyrano[3,4-c]benzopyran-8(6H)-one
Peak:m/z	Relative Intensity
53.68123	2.4
69.94144	10.4
96.92235	3.1
98.91960	24.5
141.70732	2.7
151.09909	2.6
182.97363	2.8
203.05357	4.5
331.80621	2.8
348.46921	3.2
365.10602	18.6
381.07983	5.6
397.08743	6.0
441.07993	100.0
441.15216	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	441.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.05270	1.5
55.05513	15.1
56.96551	2.8
57.03419	1.5
60.97448	1.3
61.02932	6.4
63.04483	3.9
64.32111	1.3
69.03426	10.5
69.55668	4.2
69.56079	3.6
70.06590	4.0
71.04979	4.3
73.02909	1.3
73.06563	12.7
75.04482	9.9
81.03424	15.4
81.07040	1.5
83.98995	1.3
85.02908	72.8
86.09684	1.4
91.05461	1.2
93.05496	1.4
97.02895	22.2
98.97586	4.0
99.04459	43.1
99.08128	3.0
103.03945	87.1
109.02889	19.4
117.09142	13.3
124.84081	1.3
127.03922	100.0
135.10178	35.2
138.56464	1.4
145.04964	55.9
163.06024	42.4
169.05095	1.5
187.06033	5.1
193.04988	11.4
193.12106	1.7
205.07047	4.4
208.02960	2.5
210.79909	1.3
218.18864	1.5
253.07019	2.1
271.08142	5.9
275.08948	1.5
279.12079	1.8
289.09399	2.8
307.10037	7.2
309.07666	2.5
332.01828	1.4
365.90015	1.5
395.16702	4.5
405.17456	2.1
423.16339	11.1
441.17120	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	441.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	26.4
57.03445	8.8
57.06834	2.5
57.07082	29.3
67.05503	13.1
69.07070	36.6
69.07425	3.2
69.25778	1.3
69.26116	13.8
71.08637	16.9
76.58140	1.4
78.76245	1.4
79.05486	5.2
81.07066	15.4
83.08616	19.4
85.10180	10.4
91.05492	2.4
93.07043	8.8
95.08612	11.4
97.06524	2.9
97.10174	13.6
99.08058	1.4
104.35435	1.5
107.08605	6.1
109.10176	7.8
111.08089	2.9
111.11732	5.5
121.10149	6.7
123.11724	4.5
125.09674	2.9
125.13290	1.8
129.09131	2.1
133.22633	1.6
135.11702	7.1
137.13197	2.1
139.11176	2.5
149.13321	5.3
154.05183	1.7
163.14848	4.2
177.16464	1.7
191.18097	1.9
251.23573	2.1
279.26633	2.0
290.99905	1.4
349.34802	10.1
423.38321	13.9
441.39438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.3
55.01876	5.5
55.05521	3.1
56.96576	2.3
57.03440	4.5
69.03432	23.5
69.34984	9.8
69.35415	10.1
70.06580	5.2
71.04994	5.6
73.02924	2.4
78.69256	2.5
81.03420	34.8
85.02913	85.9
86.09693	3.3
91.05488	28.8
97.02911	14.6
98.21495	3.1
99.04463	31.4
103.03949	52.6
103.05463	8.6
105.07037	10.0
109.02879	34.1
115.05454	5.9
117.07015	7.2
119.04955	20.8
119.08540	2.6
121.06496	4.0
123.04445	9.0
127.03922	81.9
127.04819	4.5
128.06238	9.2
129.07021	16.9
131.04956	9.1
131.08559	2.9
133.06500	10.5
137.05992	56.1
141.07022	3.3
143.04944	5.0
143.08606	5.6
145.04982	60.0
145.06502	12.9
147.04422	36.3
147.08107	5.7
149.06009	17.7
151.07562	22.0
153.07031	5.8
156.32629	3.1
157.06508	20.0
161.05988	28.0
163.03925	8.5
163.07584	4.4
164.54370	2.4
164.59952	2.6
165.05492	100.0
165.06895	4.8
167.07053	6.2
169.05020	5.4
169.06392	4.1
171.08101	7.9
173.05997	13.0
174.06760	2.6
175.07584	30.6
177.05501	7.8
177.09114	3.2
179.07059	20.6
181.05014	3.4
181.06483	4.8
185.06013	17.1
187.06046	7.9
187.07568	5.6
189.05431	11.8
189.09145	3.7
191.07056	26.4
193.08797	2.4
195.06577	7.7
197.06001	4.0
199.07625	16.2
201.05496	3.5
202.55536	2.7
203.07043	52.1
205.08647	7.9
207.06563	6.6
215.07043	5.9
217.06900	2.8
217.08553	15.4
219.06573	6.7
221.08105	35.5
225.15118	2.5
227.07076	10.1
233.08052	17.9
245.08101	60.8
247.08179	2.7
263.09143	48.0
271.08273	3.5
281.10226	27.1
323.11307	16.2
323.16205	2.6
363.14456	2.9
389.12186	2.6
407.13171	3.1
425.13828	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	443.16
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00895	0.9
54.03460	3.4
55.04247	3.2
69.03397	2.0
70.06595	1.4
70.65391	2.8
71.45875	0.9
80.05033	0.9
81.04543	19.1
82.05327	9.0
85.02909	6.0
87.04440	1.3
93.73832	0.9
97.02884	2.4
103.03939	2.0
106.63370	1.0
108.05647	1.5
109.02893	1.1
110.07175	1.1
122.07166	100.0
123.07945	96.3
123.09253	1.3
126.65021	0.8
127.03929	2.8
133.06194	0.9
133.47211	1.2
136.07504	1.1
144.04776	1.4
145.04991	1.9
160.04288	2.7
165.07741	4.0
172.04237	1.6
173.02673	1.0
221.60472	0.9
252.45992	1.1
257.26700	1.0
274.96851	1.0
281.10703	59.5
431.02533	1.0
443.15967	90.4
444.16092	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67449	1.4
53.03936	6.1
55.01862	4.4
55.05512	9.5
61.02925	1.6
61.38334	1.3
67.05493	5.9
68.99796	2.2
69.03434	23.6
69.07069	15.3
69.39562	12.0
71.04988	4.9
71.79455	1.7
73.02905	2.5
79.05478	6.3
80.16722	1.5
81.03428	16.7
81.07065	18.4
83.04949	1.9
83.08642	8.3
85.02914	24.4
87.00830	13.1
91.05479	7.0
93.07048	17.4
95.04974	3.5
95.08615	50.9
97.02896	10.8
97.06505	2.3
97.10162	4.3
98.20798	3.3
99.04458	7.0
99.08120	7.3
105.01891	11.0
105.07056	10.1
107.07878	2.7
107.08597	35.4
109.02889	16.1
109.06548	1.9
109.10163	11.9
109.11732	1.4
111.04401	2.0
111.08081	1.8
118.15372	1.5
119.08579	11.5
120.08114	1.4
121.10153	61.9
122.06061	1.5
123.04386	2.7
123.11719	14.0
125.05942	2.2
125.09619	3.3
127.03930	38.7
129.01733	1.6
131.08560	4.0
132.27162	1.6
133.10146	8.8
135.11696	20.0
137.13231	5.5
139.11113	1.7
139.84689	1.8
144.04379	1.4
145.04921	6.1
145.10130	3.6
147.11688	3.9
149.09593	1.6
149.13271	4.1
157.10071	3.7
159.02893	3.4
159.11655	2.6
161.09608	2.2
161.13228	3.9
163.14804	1.7
169.10190	1.6
171.11665	2.4
172.03923	5.3
173.13246	2.6
175.14807	9.3
177.16402	100.0
178.16864	1.7
185.13153	2.6
187.11224	1.8
187.14795	7.4
189.16411	2.9
195.17445	9.5
204.06590	10.1
205.15779	2.5
209.13220	2.6
211.11282	1.5
213.03935	2.6
213.18524	2.2
219.17397	3.7
227.14426	1.9
231.04970	8.6
241.15953	2.0
243.17500	3.2
261.18335	2.3
285.18515	5.3
303.19547	3.9
339.13400	2.2
389.19623	5.3
390.20178	1.6
407.20621	6.8
425.21640	4.3
443.22549	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	443.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.9
55.01869	10.4
55.05519	25.2
57.03437	18.9
61.02709	3.5
61.02935	43.8
65.03950	5.2
67.05507	66.7
69.03429	41.3
69.07071	25.5
69.70208	20.2
71.01349	5.1
71.04993	8.4
72.76412	3.4
72.86948	3.5
73.02915	16.3
79.05494	84.8
81.03417	47.9
81.07059	65.9
83.04995	17.8
83.08621	10.9
85.02911	65.4
85.06560	8.2
87.00861	5.7
87.04478	11.0
90.73849	4.0
91.03963	19.7
91.05482	70.6
93.07050	85.5
95.04970	28.4
95.08607	53.8
97.02889	39.0
97.06530	12.9
99.04449	9.0
99.08109	3.9
99.22017	4.2
101.02386	9.3
103.03944	10.7
105.01882	4.9
105.04510	4.7
105.07024	52.4
107.04955	13.2
107.08595	30.6
109.02887	24.8
109.06518	14.7
109.10152	15.9
111.04450	6.1
111.08082	7.7
111.11681	4.5
115.03886	4.3
117.07006	20.2
119.08588	44.3
121.10149	25.9
123.08054	11.5
123.11737	5.1
125.05965	5.1
127.03902	34.9
128.06204	5.2
129.01917	4.8
129.06972	31.5
131.08585	18.6
133.06526	4.9
133.10104	26.2
135.08047	8.8
135.11728	11.5
137.09637	5.0
138.09906	4.8
139.10205	3.9
141.07008	4.5
143.08562	21.3
145.04967	10.0
145.06476	6.2
145.10153	23.5
147.11688	53.5
149.09633	8.7
149.13264	4.2
151.07513	5.4
155.08554	6.0
157.10168	10.1
159.08044	9.3
159.11703	12.4
161.09689	7.1
161.13261	23.4
163.03966	11.1
163.11197	6.8
163.14828	10.7
165.09120	6.1
169.10129	7.3
171.11702	46.5
173.09688	5.7
173.13269	10.3
175.14873	14.7
176.67661	3.8
177.16402	17.9
179.78813	4.0
183.06477	4.8
185.13246	6.1
187.14841	9.1
189.12769	17.2
193.15981	5.5
197.13376	4.3
199.14839	5.0
201.16415	8.0
204.06784	4.2
205.15845	4.0
207.13777	63.4
213.16454	3.9
219.17485	5.0
227.14325	4.0
273.09503	4.3
281.17444	100.0
285.18448	3.9
287.16406	5.1
303.19476	4.0
309.17026	6.1
351.17944	4.1
383.14911	27.2
389.19711	7.9
407.20419	6.8
411.16351	5.0
425.21725	10.2
443.23120	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	443.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38684	1.8
67.05492	2.0
69.07087	4.0
70.72208	1.9
71.53459	2.2
79.05482	2.1
81.07045	3.2
87.04490	4.8
91.05487	2.6
93.07039	3.5
95.08593	4.0
101.03284	2.0
107.08638	3.3
108.25053	2.3
109.10200	3.7
124.00902	1.9
153.05243	100.0
288.59933	1.9
313.21387	37.0
443.33673	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	444.4052
Annotation	N-Octanoyl-Phytosphingosine
Peak:m/z	Relative Intensity
55.05519	7.4
57.07077	1.3
58.06594	1.6
59.29755	0.6
61.79176	0.5
67.05519	0.7
69.07076	4.1
70.06596	14.1
71.08611	0.9
72.08163	2.8
72.72397	0.5
77.26339	0.5
81.07060	0.8
83.08620	2.8
84.08148	2.0
85.73634	0.5
86.09706	3.9
87.84868	0.5
88.07640	7.0
89.06011	0.5
95.08620	0.7
97.10167	1.2
98.21542	0.8
102.09182	2.2
111.36590	0.6
114.09199	0.7
119.64727	0.6
132.10213	11.4
146.11772	7.5
153.91389	0.5
183.10014	0.5
194.13896	0.5
238.65216	0.5
294.31561	1.0
312.32797	0.5
320.33243	2.2
338.34235	7.6
364.96375	0.6
382.36819	30.5
383.37567	0.7
426.39676	0.9
444.40521	100.0
445.40866	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	445.1681
Annotation	Rossicasin A
Peak:m/z	Relative Intensity
55.05500	0.9
57.03419	0.8
67.05499	1.6
69.03413	1.7
70.06583	0.9
71.04971	0.5
71.52053	0.5
72.08152	1.6
72.81709	0.4
73.04744	1.1
79.05485	1.1
81.03421	2.0
81.07039	0.6
82.93296	0.4
83.04974	1.1
84.04505	0.5
84.08103	0.4
85.02904	2.2
86.09230	0.5
86.09711	6.7
91.05815	1.2
93.07024	1.5
95.08587	0.5
95.35033	0.4
97.02888	2.4
98.97607	0.4
99.04446	0.8
103.03949	0.6
107.04932	0.6
107.08588	0.8
109.02868	0.9
111.04424	0.7
119.08604	0.6
121.06535	0.6
121.10136	1.3
125.09595	0.6
127.03903	1.9
131.08513	0.7
135.11670	0.9
141.69559	0.3
145.10130	0.6
148.05971	0.6
149.09531	0.5
153.12781	0.6
153.99236	0.5
161.09668	0.5
163.11185	0.8
167.05563	0.9
176.81500	0.4
179.10703	0.6
181.12296	0.7
185.12917	0.8
185.16498	0.5
197.02927	0.4
199.08046	0.5
209.11726	1.6
217.09161	0.4
227.12764	1.8
227.17566	0.7
261.14493	1.1
265.14359	0.6
283.08426	1.3
283.15469	1.3
301.12616	5.5
301.15851	0.8
325.09579	0.5
343.13196	1.5
350.13406	0.4
359.02887	0.7
383.16754	14.0
385.14676	7.5
405.34222	0.5
427.15512	1.2
445.16721	100.0
446.17029	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01868	1.5
55.05505	0.6
57.03424	1.2
60.01241	0.4
61.02911	1.2
61.42828	0.4
67.05502	1.0
68.99789	0.5
69.03438	5.9
69.07066	0.6
70.03759	0.4
70.06580	0.4
71.04974	1.2
71.39649	0.4
71.52015	0.7
72.08141	0.5
73.02910	1.8
73.04753	0.6
77.73821	0.4
79.05478	1.4
81.03419	6.0
81.07081	2.2
83.04970	0.7
85.02912	11.8
85.06513	0.4
86.09708	0.6
87.00830	4.2
91.05469	4.5
92.05790	0.5
93.07053	4.5
95.04953	1.1
95.08601	1.4
97.02903	4.1
99.04472	2.2
103.03950	0.5
105.01879	2.3
105.07037	5.7
107.04964	0.5
107.08600	22.7
109.02892	6.6
109.06499	0.9
109.10157	1.7
117.01854	0.6
119.08577	3.8
121.06493	0.8
121.10143	4.4
123.08134	0.4
123.11721	1.4
125.09644	0.5
127.03926	9.1
129.01863	0.5
131.08539	1.0
133.10141	14.1
135.08075	1.0
135.11688	1.2
137.05959	0.7
137.09619	1.1
139.07558	1.2
143.08586	0.9
145.04962	1.9
147.02960	0.5
149.09613	3.5
150.09898	0.3
151.07510	0.6
151.11206	6.3
159.02888	1.3
160.12013	0.5
161.09608	3.8
163.11166	0.8
167.10681	10.1
167.12114	0.5
173.09352	0.4
174.13557	0.6
179.10674	14.3
187.06107	0.4
187.11176	0.8
188.11543	1.0
197.11743	100.0
198.12108	1.1
201.12747	0.5
202.13196	0.7
209.11807	0.7
213.03932	0.6
229.12291	0.7
230.12567	1.4
231.04987	3.7
247.13350	1.9
248.13680	3.7
266.14706	0.4
283.15564	0.7
303.05084	0.6
326.45551	0.4
427.15964	1.4
445.16846	5.4
445.22922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10022	0.6
53.03943	2.7
55.01875	3.2
55.05519	6.3
57.03452	6.2
61.02932	15.7
67.05511	8.9
67.31448	0.7
69.03437	8.5
69.07065	2.9
70.06586	1.1
71.01329	0.8
71.04994	1.8
71.52618	1.1
72.08130	1.2
73.02926	7.1
73.04762	1.2
77.03906	0.6
78.33154	0.7
79.05495	12.7
81.03419	8.7
81.07069	11.2
83.04977	4.6
83.08619	5.1
85.02912	16.0
85.06507	0.6
86.09715	2.2
91.03962	7.0
91.05431	4.4
91.39177	0.6
93.07047	20.4
95.04961	3.8
95.08613	19.9
97.02897	15.3
97.06551	3.9
97.10135	0.9
99.00863	0.8
99.04476	5.5
101.02389	3.3
103.03949	2.3
103.65749	0.7
105.07029	6.5
107.04954	5.2
107.08604	14.7
109.02876	5.5
109.06533	1.7
109.10148	2.0
111.04433	1.5
111.08060	1.0
112.44359	0.6
115.03958	0.7
117.07023	5.3
118.04356	0.7
119.08600	6.0
121.06537	4.3
121.10141	8.1
123.04424	1.1
123.08076	1.1
125.05998	2.1
127.03931	8.5
128.06190	0.7
129.05504	1.0
129.07031	1.0
130.07828	0.8
133.10138	2.8
135.08058	1.8
135.11703	31.7
137.02142	0.7
137.06041	1.2
137.09663	0.9
145.04932	3.3
145.10133	16.6
151.11252	1.4
153.12802	1.4
157.10037	1.1
163.11191	38.2
165.21042	0.6
173.08234	0.7
173.09561	1.2
179.10678	2.0
181.12234	6.8
183.06596	2.7
191.10727	0.8
197.11737	6.2
197.15396	0.9
201.07590	2.4
209.11778	3.0
215.10583	0.8
227.12793	100.0
228.12846	0.8
283.15414	30.7
311.14828	3.0
318.38092	0.7
325.16388	3.3
359.02798	1.5
391.17578	1.9
427.19638	3.4
445.15100	0.9
445.20471	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92897	1.3
51.02377	1.6
53.03928	1.3
55.01876	2.4
55.05513	7.1
57.03450	7.9
65.03902	1.2
67.05513	18.1
69.07054	5.5
69.83911	6.6
71.04995	2.0
79.05489	16.5
81.03417	3.9
81.06668	1.3
81.07068	22.4
81.59419	1.3
83.08613	3.2
91.05475	21.8
93.06493	2.1
93.07044	25.9
95.04984	1.4
95.08614	16.1
97.06529	2.3
97.10183	1.3
103.03960	1.8
105.07034	23.5
105.62382	1.2
107.08597	16.5
109.06525	1.9
109.10189	8.1
111.08059	1.4
113.00025	56.3
117.07036	7.9
119.08583	26.0
121.10155	13.2
123.08076	2.2
123.11652	1.7
125.09650	1.6
129.05473	5.9
129.07014	3.5
131.08566	12.2
133.10129	17.9
135.11681	9.9
137.09601	1.4
139.11174	1.1
139.34525	1.1
143.08548	4.8
145.10117	9.4
147.11688	14.3
149.13235	5.1
151.11095	1.4
153.74181	1.2
155.07068	1.6
157.10150	6.2
159.11697	8.9
161.13272	18.9
163.14799	4.7
165.09117	5.2
169.02576	4.8
171.11696	8.5
173.13263	8.7
175.14854	11.4
185.13263	8.9
187.03700	10.5
187.14801	3.7
189.12712	2.5
199.14865	3.7
213.16389	2.3
215.18004	5.7
217.19485	7.0
231.21095	3.6
241.19527	33.1
243.21080	2.4
259.20593	29.0
275.20081	2.1
277.21735	2.2
289.21494	1.3
315.23184	4.9
333.24240	100.0
334.24506	2.4
359.03265	1.4
427.22470	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	445.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	5.4
56.36066	0.7
57.07061	3.1
61.78934	0.6
67.05499	3.3
69.07075	9.0
71.08627	1.5
71.53527	1.2
81.07059	4.9
83.08630	5.3
93.07047	1.1
95.08614	3.7
97.10174	2.6
103.20472	0.8
105.06998	1.1
107.08591	1.2
109.10131	2.8
117.07067	1.1
119.08589	1.7
121.10160	2.4
123.11670	0.9
125.13246	0.9
130.08511	0.8
135.08047	1.6
135.11624	0.8
135.92305	0.8
137.09645	4.4
139.07526	0.9
149.09656	5.8
153.09200	0.9
163.11191	6.3
165.09129	59.8
175.11189	2.0
177.09103	3.0
179.10692	1.1
187.11183	0.7
189.09013	1.0
191.10669	2.2
199.11143	1.3
203.10678	2.1
205.12270	3.6
219.13788	0.9
289.21719	0.9
372.13986	1.0
373.14346	1.5
386.15482	1.8
387.16119	5.4
388.16544	1.4
401.13098	1.2
401.18262	3.6
402.18210	3.3
414.14661	2.4
415.15167	9.1
416.15997	2.3
417.20621	2.8
427.35794	4.1
429.16937	6.0
430.17743	13.0
431.18262	1.6
444.19235	1.6
445.20111	100.0
445.36731	7.0
446.20734	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	445.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.9
55.01871	6.8
55.05515	40.0
56.86391	1.9
57.07080	36.9
67.05511	22.8
69.07072	76.7
69.50751	4.0
69.51167	9.8
71.08638	25.0
78.95605	2.1
79.05492	12.9
81.07058	64.5
83.04980	8.8
83.08620	52.4
85.10181	15.3
88.18891	2.1
91.05492	7.9
93.07048	31.1
95.08612	49.1
97.06554	5.8
97.10178	34.0
98.21574	4.2
105.07034	4.5
107.08600	30.6
109.06525	7.4
109.10156	23.2
111.08104	13.0
111.11737	16.0
113.11140	1.9
119.08576	4.1
120.21308	2.3
121.06510	7.6
121.10155	14.6
123.08067	7.7
123.11694	13.8
124.05198	5.8
125.13303	10.9
133.10132	3.1
135.08115	4.0
135.11710	18.9
137.05983	8.6
137.13226	5.3
139.07544	100.0
139.36728	1.8
147.11658	2.0
149.06076	2.3
149.09665	5.2
149.13277	15.7
151.07562	12.6
161.09616	3.6
161.13300	2.8
163.14835	13.4
165.05510	17.0
165.09120	23.8
171.11670	2.5
175.11206	5.7
177.09209	5.5
177.16444	4.4
181.08591	3.6
181.15999	2.6
189.12766	3.8
191.17924	2.5
193.08609	17.6
203.10713	7.2
203.14386	2.4
205.12276	4.6
213.12764	3.2
215.14326	2.1
217.12262	6.7
219.13831	2.8
221.11775	3.9
231.13971	3.8
235.13188	2.5
289.29019	15.5
307.29947	28.0
417.37280	8.4
427.35770	8.9
445.36816	44.0
471.20621	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	445.3679
Annotation	Swinhosterol B
Peak:m/z	Relative Intensity
55.05515	29.6
57.07079	71.8
67.05499	19.1
69.07072	56.9
71.08636	52.9
71.26215	11.7
79.05500	13.7
81.07037	30.5
83.01332	13.7
83.04987	6.0
83.08608	42.2
85.10188	33.2
91.05499	10.7
93.07055	13.5
95.08611	31.4
97.10179	30.1
99.04478	7.4
105.07063	12.2
107.08605	15.2
109.06519	57.5
109.10168	22.7
111.11716	14.7
119.08579	20.1
121.06586	7.9
121.10118	7.1
123.08109	13.4
123.11699	8.1
131.08594	15.6
133.10150	16.4
135.08063	23.9
137.05974	100.0
137.09613	7.7
139.07567	28.4
145.10136	8.3
147.11690	8.1
149.09612	14.5
151.07544	42.2
151.11224	7.0
159.11758	7.8
161.09669	19.8
161.13300	5.8
163.07523	11.7
163.11243	9.4
165.09160	46.1
167.07030	11.9
171.11719	6.4
175.11205	17.8
177.09081	19.5
179.10655	10.6
185.13287	8.5
189.12776	20.1
191.10684	11.9
191.14348	6.2
193.12270	22.8
199.14819	5.6
203.10736	10.9
203.14301	10.3
205.12303	9.9
207.13809	16.4
217.15910	9.2
219.13768	6.7
221.15367	10.9
231.13829	7.8
235.17062	8.8
245.18901	6.2
249.18536	10.9
263.20099	17.2
277.21561	13.1
291.23083	11.4
305.24762	9.4
312.31165	5.3
369.58792	6.0
385.34689	55.3
399.36200	43.0
403.35715	45.0
417.37292	66.2
426.31262	6.1
427.35687	39.3
445.37238	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
55.19938	0.7
67.05519	1.0
69.03429	2.7
69.51651	4.8
71.04980	1.7
73.02911	1.3
73.14890	0.7
73.56535	0.7
79.05496	2.0
81.03421	3.9
81.07076	1.9
82.18336	0.8
83.04967	0.9
85.02908	13.3
86.09694	1.8
87.04494	1.1
91.05455	1.4
93.07045	2.0
93.68399	0.7
95.04984	0.9
95.08613	1.5
97.02898	4.7
97.06544	2.4
99.04468	6.4
103.03955	16.2
103.05449	1.3
105.07037	100.0
107.08580	1.7
109.02888	5.4
110.82449	0.6
117.07007	0.8
119.08599	1.8
121.06554	0.9
121.10142	1.1
127.03920	17.6
127.04823	1.1
131.04924	0.9
131.08629	1.4
133.10088	1.1
135.11742	1.0
143.08575	1.5
145.02882	1.1
145.04971	11.9
145.10164	1.6
147.04428	1.9
147.11758	0.9
149.05951	0.7
157.10161	1.2
159.08034	1.5
161.09656	0.7
163.06035	9.2
163.07553	2.6
163.11256	0.8
171.11690	0.8
177.05482	1.8
181.08682	1.5
185.09694	1.6
187.06015	0.8
198.12009	1.0
205.07068	1.0
213.09108	2.6
228.13188	0.9
230.10374	0.7
231.10152	1.9
249.11232	0.9
267.12314	1.7
267.15518	0.7
271.08224	1.9
295.89700	0.7
303.04852	3.7
307.10431	2.0
393.15564	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.2
55.01868	1.1
57.03436	1.6
61.02912	3.4
62.57276	0.9
63.27865	0.9
69.03091	1.4
69.03434	10.1
69.49086	6.6
71.04978	3.4
73.02897	2.6
77.12889	0.8
81.03427	13.7
81.07047	0.9
82.03765	1.0
83.04988	1.4
85.02908	68.1
91.03930	1.2
93.05199	0.8
97.02900	24.6
98.21490	1.9
99.04461	42.2
103.03948	85.4
105.07018	3.7
109.02872	15.2
115.03945	1.4
127.03925	100.0
145.04970	65.6
145.05859	1.0
145.06174	1.5
163.06023	59.6
187.06075	4.8
205.07080	3.7
271.08130	10.0
284.15598	1.1
289.09290	7.5
307.10251	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	447.2226
Annotation	Dendroside G
Peak:m/z	Relative Intensity
51.96679	1.8
53.03952	5.9
55.01868	3.7
55.05511	15.8
57.03440	17.7
59.04956	1.9
59.36511	2.1
60.23133	1.9
61.02927	27.3
66.13317	2.3
67.05511	18.9
69.03430	23.5
69.07067	6.2
69.18021	9.3
69.18448	9.5
71.01360	2.4
71.04980	7.8
73.02925	15.4
73.54324	1.9
79.05500	23.0
81.03425	74.3
81.07066	27.7
83.04980	24.0
83.08620	19.5
85.02903	52.5
86.09723	10.9
87.04478	2.3
91.03943	13.1
91.04965	3.4
91.05487	30.4
93.07024	14.1
95.04972	25.9
95.08615	9.3
97.02902	28.4
97.06525	6.6
98.23268	2.0
98.95706	1.8
99.04482	7.2
101.02390	8.0
103.03958	4.6
105.07025	19.4
107.04934	10.1
107.08601	8.6
109.02880	8.5
109.06508	5.0
109.10217	3.3
110.62736	2.0
111.04475	6.2
111.08082	10.8
113.06024	4.2
117.07040	2.5
119.08591	19.2
121.10162	10.1
123.08069	3.5
125.09703	2.0
127.03914	13.2
129.05496	10.1
129.07008	8.7
131.08601	10.9
133.10150	13.4
135.11678	3.2
142.07762	3.4
145.04977	4.9
147.08063	3.3
147.11667	14.8
149.09615	7.7
157.10132	15.7
163.11125	4.5
165.09090	2.7
165.12756	5.3
172.81999	2.0
175.11200	20.0
179.10629	2.8
183.06577	3.2
193.12259	70.1
197.11761	4.3
198.12132	4.2
199.12456	3.1
211.13304	73.2
227.12869	4.6
249.15060	3.0
267.15933	22.3
285.16980	100.0
296.97345	1.9
313.16544	4.0
407.20892	2.4
429.21301	17.1
447.16867	7.6
447.21997	7.2
468.25385	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	447.2229
Annotation	Dendroside G
Peak:m/z	Relative Intensity
53.03954	4.7
54.00230	0.9
55.01863	4.1
55.05506	9.1
56.96563	1.0
57.03437	11.1
61.02932	9.3
61.76121	0.9
63.92492	0.8
65.03934	1.6
67.05505	14.6
69.03432	12.9
69.07054	4.3
70.06574	1.3
71.01345	1.1
71.04977	4.2
71.52345	1.3
73.02897	2.9
79.05074	1.5
79.05499	17.1
81.03419	100.0
81.07056	18.8
83.04984	14.4
83.08149	1.6
83.08620	23.5
84.04472	1.3
85.02905	20.6
85.06532	2.0
86.09692	3.3
87.04456	1.2
91.03956	4.5
91.05479	19.9
93.07048	10.8
95.04382	1.6
95.04972	30.0
95.08607	6.5
97.02893	16.5
97.06510	3.9
97.10144	2.9
99.04475	2.2
103.03925	2.2
105.07037	15.0
105.93099	1.0
107.04948	7.6
107.08591	8.2
109.02893	6.0
109.06492	3.8
109.10133	1.7
111.04431	5.3
111.08085	12.2
112.04782	1.3
113.05978	1.3
115.05461	2.0
117.06995	1.6
119.04929	2.5
119.08585	13.6
120.08086	1.6
121.02849	1.6
121.06468	1.8
121.10154	9.7
123.04360	2.8
123.08051	1.8
123.11661	1.3
125.09595	1.1
127.03916	8.9
128.06236	1.1
129.05476	3.5
129.07001	10.0
131.03841	1.0
131.08589	8.9
133.06500	3.5
133.10126	7.2
135.08043	2.0
137.09618	1.7
142.07777	2.8
143.08514	2.1
145.04979	3.2
145.10098	3.4
147.04420	2.2
147.08095	5.2
147.11684	12.4
149.02290	2.4
149.09613	6.9
151.11232	1.0
157.10129	13.9
163.03897	1.1
163.11162	3.9
165.12726	3.0
175.11171	15.5
181.04901	1.3
181.12230	2.1
183.06549	1.3
189.12735	1.3
191.10652	1.0
193.12245	93.1
194.12587	1.1
199.13324	1.7
206.58272	1.1
207.13757	1.1
211.13290	29.8
227.12698	1.1
229.14386	2.2
235.13391	4.5
249.14867	1.0
253.14377	1.8
255.08415	1.3
259.13077	1.3
267.15912	46.7
269.97830	1.3
271.06015	31.0
273.14914	2.3
277.14377	1.0
283.15341	1.2
285.16962	66.9
301.14261	1.7
309.16968	9.2
327.09650	1.1
363.17960	1.8
375.17889	1.7
393.19330	2.1
406.40375	1.0
411.20227	1.7
429.21313	7.0
447.16800	5.3
447.22458	5.0
447.29105	5.4
470.80179	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2227
Annotation	Dendroside G
Peak:m/z	Relative Intensity
51.02382	1.7
53.03937	5.8
55.01866	8.2
55.05511	17.7
57.03444	27.3
59.04980	2.0
60.55811	1.6
60.78836	1.6
61.02929	56.4
67.05511	31.0
69.03434	29.0
69.07071	8.5
69.40504	12.4
70.06592	1.8
70.95663	1.8
71.01360	4.8
71.04982	7.0
71.87836	1.6
73.02924	26.7
77.03921	1.7
79.05070	2.5
79.05500	32.8
81.03423	84.1
81.07063	31.6
83.04985	19.1
83.08228	1.8
83.08632	22.6
83.83114	1.5
84.04457	1.8
85.02908	77.6
85.06541	2.4
86.09695	2.4
87.04480	1.8
91.03960	35.7
91.05482	44.4
91.09103	1.7
93.07050	17.2
95.04980	31.8
95.08627	10.8
97.02895	52.2
97.06519	5.9
97.10155	4.6
99.04455	9.6
101.02393	13.1
101.06045	1.8
103.03948	5.1
103.05502	1.7
105.07038	29.9
107.04972	11.2
107.08592	6.4
109.02888	12.8
109.06533	7.9
109.10167	4.0
111.04443	7.2
111.08084	15.7
113.06004	2.6
115.03905	3.5
115.05433	2.6
119.08583	20.7
121.06466	2.7
121.10143	9.1
123.08083	3.8
123.11710	2.7
127.03919	26.1
129.05496	4.7
129.07025	16.9
131.08578	15.5
133.06494	3.8
133.10152	22.0
137.09583	1.9
142.07767	4.6
145.05006	8.7
145.10132	2.2
147.08067	5.3
147.11679	23.3
149.02278	2.2
149.09605	7.4
151.03918	2.3
157.10144	23.5
163.11191	2.9
165.12704	4.5
175.11186	27.6
183.06607	4.1
193.12245	89.2
201.07623	4.4
211.13301	97.7
235.13295	2.1
263.55917	1.9
266.37582	1.9
267.15942	20.9
285.16983	100.0
309.16922	2.9
313.16440	3.6
411.20294	3.6
429.21396	7.8
447.16806	2.1
447.22397	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	447.2509
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
51.17355	0.8
53.03935	2.1
55.01880	10.9
55.05517	31.2
57.03441	41.1
57.07077	11.1
60.12570	1.0
64.79890	0.9
67.05140	0.9
67.05509	21.7
69.07072	30.5
69.74928	5.2
71.08630	5.2
78.56522	1.0
79.05502	15.1
81.07062	23.8
83.08150	1.9
83.08627	26.8
85.10205	1.4
91.05479	4.2
93.07052	15.6
95.08606	20.2
97.06544	3.5
97.10178	14.4
98.98477	48.2
105.07027	4.0
107.08600	9.1
109.10174	7.9
111.08102	1.7
111.11729	3.8
113.00025	25.0
119.08594	2.3
121.10149	11.2
123.11705	3.8
129.05507	1.9
131.08568	2.0
133.10155	2.5
135.11690	6.7
137.00006	59.5
137.13246	2.1
145.10143	1.7
147.11650	2.6
149.13289	2.6
155.01051	36.9
159.11682	1.4
159.93150	0.9
169.02637	8.8
172.75786	1.0
173.13290	2.0
187.03709	3.2
193.02623	10.0
211.03642	7.1
219.21260	1.3
237.22163	11.3
243.21179	2.0
256.64264	1.0
261.22137	4.9
265.04761	1.3
291.14700	1.3
293.24811	1.6
311.25827	41.3
312.26117	1.3
317.24661	1.8
335.25818	42.2
447.25095	100.0
448.25311	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	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.1
53.84048	0.9
55.01873	1.8
55.05516	8.1
57.03445	10.5
57.07076	2.6
59.73178	0.9
65.03951	1.1
67.05507	41.5
69.07066	7.3
70.49527	2.2
70.49892	1.9
71.08610	2.1
72.11818	0.9
79.05499	25.8
81.03410	3.0
81.07060	47.2
83.04965	1.9
83.08618	3.8
85.06528	1.5
85.10180	1.2
91.05486	13.2
93.06491	1.9
93.07047	29.6
93.07911	1.2
95.04952	2.0
95.08612	35.8
97.06516	2.4
97.10201	1.6
98.20916	1.1
99.08067	1.2
105.07034	9.6
107.08597	18.6
109.06498	1.4
109.10159	14.6
111.08092	1.2
113.00022	52.5
117.06973	3.3
119.08571	6.4
121.06486	1.2
121.10149	16.4
123.11756	4.8
129.05501	1.5
131.08598	9.0
133.10129	6.4
135.11708	10.1
137.13266	1.5
145.10135	6.7
147.11688	6.1
149.02306	3.1
149.13271	7.1
159.11699	5.5
161.13274	3.9
163.11206	1.8
163.14804	5.1
169.02621	19.4
173.13341	5.4
175.14821	1.4
177.12863	1.3
177.16347	2.3
187.03712	8.7
187.14803	2.3
193.12228	1.2
196.13364	1.0
197.56935	1.0
233.22722	1.8
243.21083	16.2
245.22652	1.3
261.22137	18.1
291.37738	1.1
317.24796	7.2
335.25815	100.0
336.26044	3.3
430.12067	1.4
447.27316	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	447.3834
Annotation	13'-OH-alpha-tocopherol
Peak:m/z	Relative Intensity
51.75641	2.9
53.03932	3.8
55.05516	34.5
57.07079	55.9
67.05494	5.9
69.07069	76.9
71.08640	54.4
71.18869	4.8
81.07043	11.3
83.08157	4.4
83.08624	60.2
85.10184	35.2
88.34430	3.4
91.05457	3.0
95.08597	7.6
97.10172	59.6
99.11761	4.3
107.08609	8.1
109.10182	5.0
111.11726	45.2
119.08624	3.2
125.13258	17.5
135.08041	11.5
137.09644	5.7
139.07527	18.9
139.14777	6.1
149.02338	39.5
149.09682	7.0
151.07539	14.6
153.09111	9.0
155.05727	3.1
163.07555	4.8
165.09135	62.1
167.03351	7.7
169.08618	9.8
177.09123	11.6
179.10585	5.1
181.08606	34.7
190.59351	3.1
191.10634	7.5
192.54976	3.3
205.12196	10.3
261.45355	3.3
379.77432	3.1
429.37421	20.6
433.90887	3.3
447.28784	5.2
447.38428	100.0
447.44760	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05498	0.8
56.87419	0.3
57.03423	0.5
62.06087	0.4
62.43640	0.3
68.05021	0.4
69.03429	0.8
69.07079	0.6
70.06598	0.3
71.04985	0.4
71.51393	0.3
77.03965	0.3
79.05489	4.6
80.05028	1.6
81.03431	1.6
81.05802	5.4
81.07056	2.7
82.06571	0.4
83.04992	0.7
85.02912	3.6
86.09704	0.4
87.04478	0.3
93.07083	0.4
94.06564	0.9
95.04977	0.7
96.04483	0.3
96.08136	16.6
97.02903	1.2
97.06470	0.3
99.04439	1.5
103.03958	4.4
105.07026	0.4
106.06562	3.1
107.04964	7.2
107.08732	0.3
109.02890	1.1
109.31663	0.3
124.07597	100.0
125.07922	0.5
127.03925	4.9
133.00076	0.3
136.07545	0.4
145.04974	3.2
163.06026	2.8
165.05444	0.4
168.06651	0.6
173.97606	0.3
190.13751	0.3
271.08243	0.5
286.13068	0.6
289.09180	0.6
307.10287	1.9
448.16171	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.5
55.01854	6.0
55.05503	8.5
57.03421	3.4
67.05499	23.9
67.34153	2.3
69.03426	23.9
69.07066	23.1
70.64029	6.6
71.04994	13.7
73.02909	6.6
79.05487	26.4
81.03410	18.5
81.07057	42.4
83.04984	48.8
84.08228	2.4
85.02907	17.7
85.06542	10.3
86.09655	2.6
89.03899	3.2
91.05479	24.7
93.07046	32.3
95.04959	39.8
95.08604	13.2
97.02894	17.1
97.06532	46.3
99.04449	24.1
103.05522	2.7
105.07031	63.8
107.04967	6.5
107.08587	30.2
109.02914	5.9
109.06517	36.7
111.04436	7.2
111.08059	6.3
113.06010	5.2
117.07020	10.6
118.90913	2.4
119.04961	6.9
119.08589	18.0
121.06500	24.9
121.10145	26.5
123.04435	8.2
123.08062	3.3
125.05997	73.7
127.03937	10.7
127.07565	19.2
128.06198	3.2
129.06961	5.5
130.07732	4.3
131.08582	23.6
133.06483	10.2
133.10060	12.6
135.04477	3.9
135.08018	7.2
135.11700	10.9
137.05963	24.5
139.07516	4.0
141.05505	3.7
141.07033	2.5
142.07672	2.5
143.07037	84.8
143.08542	11.2
144.09326	6.3
145.04958	3.2
145.06454	7.3
145.10124	100.0
147.08051	5.2
147.11676	6.1
149.02339	2.4
149.05997	4.1
149.09622	7.6
151.07530	14.2
153.05452	6.5
154.07742	3.3
155.07092	3.5
155.08485	6.2
157.08705	3.5
157.10143	5.0
158.07245	5.5
159.08075	7.3
159.11685	35.1
161.09669	6.7
161.13240	3.7
163.11166	48.9
169.10150	10.4
171.08044	2.7
171.11664	3.1
173.09619	55.7
175.11192	4.1
177.12773	11.0
179.10628	4.1
181.12128	3.7
185.09602	2.8
187.11179	80.9
189.09113	4.8
189.12790	6.8
191.10683	39.0
197.09659	6.4
199.11261	2.7
203.10608	3.8
205.12242	73.0
209.11691	36.3
215.10666	73.9
219.13484	3.6
223.13316	8.3
229.12302	2.8
233.11722	85.0
243.10776	2.9
251.12785	79.2
257.11841	3.7
259.09610	3.4
267.12302	8.6
268.16327	4.6
269.13864	26.5
275.12598	3.2
287.05545	6.7
291.19354	3.7
302.14142	2.4
303.05026	10.1
304.05350	28.8
325.16498	6.7
329.13696	3.0
341.13635	3.1
349.16028	3.6
359.14908	8.4
377.15970	43.0
395.17056	27.6
413.18036	68.2
416.11496	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	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.9
55.05498	14.3
67.05508	26.7
69.03429	21.1
69.07069	24.6
70.06575	4.7
71.04991	16.3
71.52081	6.0
73.02906	11.0
74.09731	4.4
79.05494	36.1
79.61222	4.1
81.03408	13.1
81.06603	4.2
81.07060	59.5
83.04993	42.5
84.04501	4.0
85.02885	18.3
85.06518	13.3
85.98251	3.5
90.08936	3.6
91.05460	23.1
93.07057	45.6
95.04967	42.4
95.08596	15.6
97.02901	13.1
97.06533	36.3
97.10033	3.9
98.15356	3.6
99.04478	24.7
105.07034	61.3
107.04967	7.6
107.08613	36.5
109.02882	9.7
109.06519	39.4
109.10162	5.7
111.08131	9.7
113.06019	4.9
116.07059	6.0
117.07014	11.3
119.04902	6.0
119.08593	33.6
121.06536	20.6
121.10153	25.3
123.04424	15.8
125.06007	54.9
127.03890	14.9
127.07556	26.3
129.06880	5.5
130.07840	4.6
131.08588	26.2
133.06485	10.9
133.10115	13.8
135.08038	15.8
135.11688	12.1
135.17067	4.2
137.05997	25.8
138.01714	4.7
139.07458	6.5
141.05563	6.0
141.07019	6.1
143.07050	66.5
143.08585	8.8
144.09311	6.7
145.06474	8.1
145.10144	100.0
146.29272	4.1
147.11671	8.9
149.09581	6.9
151.07523	11.4
157.10095	9.8
158.88367	4.2
159.08037	8.3
159.11690	50.4
161.09586	10.8
163.03842	4.7
163.11168	37.3
169.10139	14.0
173.09648	48.0
177.09309	4.8
177.12799	9.2
185.09444	5.4
187.11180	78.7
189.12828	4.7
191.10687	47.0
203.10689	5.9
205.12239	62.9
209.11713	37.1
211.11226	4.3
215.10695	46.8
223.13275	8.7
231.10301	5.7
233.11708	57.1
251.12791	68.6
252.13287	4.5
267.12329	13.1
269.13840	28.9
275.12592	4.3
303.04886	13.7
304.05362	35.4
311.14743	3.8
316.54260	4.2
349.16385	6.8
353.15845	4.1
359.14810	6.5
377.16113	45.8
395.17062	34.4
413.18076	83.7
448.23404	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	448.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01873	4.9
55.05500	19.2
67.05509	35.5
69.03432	5.7
69.07054	18.6
70.06553	4.8
70.85841	5.4
70.86163	7.2
79.05507	40.5
81.03406	9.8
81.07059	73.0
83.08621	9.1
84.04501	21.4
85.06538	7.2
86.06063	5.3
91.05487	47.1
93.07047	100.0
95.04955	18.0
95.08610	69.3
97.06524	21.7
98.06070	8.7
102.05532	10.1
103.05504	4.4
105.07040	76.1
107.04996	5.1
107.08601	64.1
109.06501	16.3
109.10164	28.7
111.08093	6.3
115.05444	5.5
117.07026	17.3
119.08586	88.0
121.06476	19.2
121.10147	59.9
123.08047	12.1
123.11709	12.8
125.09627	11.3
128.06252	4.8
129.07019	8.4
130.05037	23.1
131.08572	40.7
133.10152	46.6
135.08070	21.0
135.11681	25.2
137.09610	10.7
141.06938	4.6
143.08574	20.9
144.09331	6.3
145.10138	61.8
147.08043	4.9
147.11717	45.8
149.02470	4.2
149.09572	9.4
149.13248	14.1
151.11165	10.3
155.08575	7.1
156.09299	7.6
157.10138	26.8
159.11710	72.9
161.09660	7.6
161.13307	23.4
163.11198	8.6
165.09088	7.2
165.12793	8.5
169.10136	8.2
171.11699	19.8
173.09608	8.1
173.13277	35.3
175.14818	12.5
177.12753	4.7
183.11707	11.5
185.13258	25.9
187.11200	7.7
187.14905	23.7
189.12862	4.6
191.14149	7.6
195.11649	5.4
199.14832	20.1
201.16357	30.1
203.14305	9.2
209.13348	6.8
213.16377	8.6
215.07112	8.6
219.13831	9.9
223.14810	6.4
225.16400	11.7
227.14354	9.1
227.17957	18.4
239.17984	5.2
245.19002	5.0
255.17212	4.8
255.21082	50.3
259.09705	23.0
265.19495	13.2
269.07544	6.1
283.17603	7.1
283.20526	44.5
291.19418	8.5
301.21631	22.6
322.27179	4.5
350.19449	8.0
425.97162	4.4
430.25760	13.0
444.19305	4.6
448.30554	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	448.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99072	1.7
53.03941	4.6
55.01864	3.3
55.05515	19.1
57.03434	6.4
57.07064	5.2
65.03954	1.8
67.05514	50.4
69.03417	11.6
69.07074	18.2
71.04982	5.5
75.13848	1.6
75.22588	1.9
79.05495	28.2
81.03400	4.2
81.07064	100.0
83.04987	13.6
83.08625	12.5
84.04504	13.7
85.06524	2.3
91.05491	31.3
93.07050	71.8
95.04977	11.5
95.08614	91.7
96.08945	2.5
97.02853	2.0
97.06536	20.4
97.10121	3.2
99.08125	2.0
102.05557	9.5
103.05521	2.2
105.04485	3.1
105.07032	44.9
107.04945	2.7
107.08601	74.0
109.02889	2.7
109.06525	14.1
109.09489	2.3
109.10170	38.1
111.08061	6.3
117.03353	2.1
117.07022	6.5
119.08601	40.2
120.72721	2.0
121.06490	10.3
121.10160	32.1
123.08071	14.9
123.10830	4.0
123.11710	63.6
125.09617	7.1
128.06259	2.9
129.07007	6.3
130.05003	10.1
130.07817	2.0
131.08588	18.7
133.10143	37.3
135.08090	17.5
135.11700	21.2
137.02451	2.0
137.09645	11.0
138.05496	6.3
139.07561	3.2
139.11139	4.6
142.07777	5.2
143.08524	11.2
145.02820	2.7
145.10126	32.5
147.04405	3.9
147.08035	5.9
147.11707	23.6
148.06026	4.4
149.05884	2.2
149.09627	29.0
149.13252	6.0
151.11180	27.7
153.09129	2.4
155.08508	2.8
156.09383	3.1
157.10152	24.4
159.08078	2.6
159.11697	29.5
161.09618	10.7
161.13283	12.2
163.03952	2.7
163.11191	27.0
163.14857	2.6
165.06981	3.9
165.09145	13.2
165.12729	5.0
167.10699	9.4
167.11946	1.9
169.10158	3.9
171.11679	13.1
173.09631	4.7
173.13272	20.7
175.11176	11.1
175.14911	4.1
177.05417	5.9
177.09117	3.6
177.12701	9.0
179.10719	5.9
181.10159	2.4
183.11707	4.5
185.09656	3.2
185.13228	13.4
187.11203	3.2
187.14867	12.8
189.12738	7.2
191.14305	8.6
193.12212	2.9
197.13284	2.2
199.14839	19.4
201.12755	5.1
201.16391	14.6
203.14330	6.4
205.12267	2.3
207.13815	10.2
209.13345	2.6
211.14816	2.9
213.12720	4.6
213.16370	5.9
215.07027	2.4
215.14288	2.3
215.18147	2.5
217.12254	2.3
217.15912	4.8
219.13795	6.1
223.14822	3.3
225.16324	4.6
227.14317	5.2
227.17987	13.3
229.15950	2.5
231.13943	8.7
241.19617	2.9
243.17439	3.0
245.15367	9.5
245.19011	9.4
255.21159	16.8
259.09692	9.1
265.19501	4.2
273.19284	2.5
273.22076	11.5
283.20572	17.8
301.21640	42.1
402.26245	2.6
430.25769	8.2
448.27298	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	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.72120	0.7
55.01858	0.9
57.03445	10.4
61.02925	2.1
62.15933	0.8
67.05489	2.0
69.03421	1.1
70.06590	0.9
70.10635	2.8
73.02921	15.7
75.04486	25.8
79.05474	1.5
81.03407	1.3
81.07056	2.5
83.04964	1.7
83.08650	1.1
84.40768	0.8
85.02914	6.8
85.06554	1.0
85.11665	0.7
86.09724	1.0
91.05486	1.4
92.02663	0.9
93.07050	1.1
95.04967	1.3
95.08636	1.8
97.02966	1.0
97.24816	0.9
105.07023	1.2
105.46631	0.7
107.08632	0.9
109.02859	1.2
109.10175	1.6
110.98215	1.0
111.04431	1.2
115.03919	1.6
117.93776	0.9
121.02904	1.6
127.03944	1.9
137.02371	3.5
145.10022	1.2
151.03902	1.6
153.01851	7.9
162.19865	0.9
165.01826	2.5
171.11731	0.8
190.07834	0.8
193.55714	0.8
201.05527	2.2
229.05002	5.8
234.12106	1.0
245.04436	1.9
257.04459	3.0
273.03928	1.9
274.04813	4.1
285.03934	5.0
287.05511	5.9
287.13742	1.5
302.04205	10.4
303.05014	100.0
304.05490	1.6
317.06577	83.2
318.07056	1.2
449.30899	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
51.50636	0.3
53.03934	0.6
55.01867	0.8
57.03437	0.9
61.02934	1.5
68.99786	0.6
69.03435	2.8
70.07102	1.0
71.04971	0.3
73.02914	0.5
81.03436	1.5
81.44094	0.2
85.02914	9.5
87.04488	0.5
91.03950	0.5
97.02900	3.0
99.04472	0.4
99.91797	0.2
105.03418	0.2
107.04954	0.5
109.02883	0.9
111.00783	0.5
121.02881	2.8
127.03938	1.9
133.02870	0.4
137.02361	0.7
145.04956	2.0
145.06554	0.2
147.04414	0.6
153.01860	3.8
157.06487	0.5
165.01897	1.6
171.04417	0.4
183.02856	0.5
185.06058	0.6
213.05513	1.3
231.06602	0.5
241.04987	1.0
258.05283	1.1
259.05975	0.3
263.15253	0.3
265.11203	0.2
287.05521	100.0
288.05853	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	449.1079
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
55.01862	0.5
57.03415	0.4
61.02930	7.2
65.03918	0.3
68.99774	0.7
69.03405	0.9
69.70257	0.9
69.70654	0.5
70.80406	0.3
71.04968	0.3
71.45473	0.3
73.02913	1.6
79.05481	0.3
81.03397	0.8
85.02911	5.5
86.09686	0.4
91.03501	0.3
91.03964	3.4
91.05488	1.6
95.04977	0.3
97.02894	2.7
98.21475	0.6
99.04429	0.5
103.51991	0.3
104.10764	0.3
105.03380	0.5
107.04935	0.7
109.02882	0.4
110.07346	0.2
111.00804	0.7
119.04923	0.3
121.02872	3.0
127.03900	1.0
133.02853	0.6
133.06427	0.4
135.04405	0.6
137.02322	1.0
137.05978	0.5
145.04953	0.6
147.04372	0.8
152.46909	0.3
153.01833	4.1
153.05382	0.4
153.43472	0.3
155.07025	0.3
157.06487	0.4
163.03894	0.5
165.01886	2.0
165.05473	1.1
166.06140	0.3
167.07063	0.4
177.05406	0.3
180.04190	0.3
180.07838	0.4
181.04953	1.6
183.02879	0.8
184.07361	0.3
185.04294	0.4
193.04962	0.4
195.06351	0.3
207.06543	0.3
208.07269	1.3
213.05479	1.5
223.06012	2.9
225.07590	0.9
226.08305	1.0
231.06488	0.5
241.04958	0.9
258.05264	1.1
259.06259	0.4
269.11444	0.4
287.05508	100.0
287.12463	29.1
288.05820	1.4
303.04956	0.3
449.17850	43.5
450.17865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03943	0.8
55.01863	0.8
55.05507	0.3
56.67788	0.2
57.03421	1.1
60.08139	0.2
61.02936	1.2
65.03947	0.3
68.99803	0.8
69.03090	0.3
69.03432	3.4
70.06576	0.4
70.10551	0.9
71.04980	0.4
72.08135	0.3
73.02921	0.6
79.05479	0.4
81.03424	2.7
83.08653	0.3
85.02911	10.5
86.09727	1.7
87.04460	0.4
91.03951	0.5
91.05486	0.3
95.04974	0.2
95.08601	0.2
97.02899	4.0
98.21441	0.3
99.04447	0.7
100.97832	0.2
105.03392	0.3
105.07027	0.4
109.02876	1.3
111.00796	0.9
118.19572	0.2
119.08599	0.3
121.02889	3.0
125.00006	0.8
127.03909	2.2
129.06985	0.3
133.02834	0.5
135.04475	0.3
136.07532	0.3
137.02347	1.0
145.04959	1.6
147.04424	0.7
153.01848	4.3
157.06502	0.5
161.05927	0.4
163.03964	0.3
165.01849	2.1
166.09419	0.3
176.97054	0.3
183.02927	0.9
184.07359	3.0
185.05927	0.4
189.05409	0.3
193.12303	0.4
213.05463	1.7
231.06563	0.9
241.05022	1.1
245.04433	0.3
246.14938	0.8
258.05267	1.1
259.06152	0.6
287.05515	100.0
288.05865	1.3
292.12589	0.3
303.04950	0.6
431.30603	0.2
449.31256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01862	3.1
55.05514	15.6
56.23979	1.3
57.03437	7.4
59.73323	1.2
65.03947	1.4
67.05511	38.9
69.06803	1.2
69.07075	14.4
69.72734	5.6
69.73160	3.4
71.04983	2.0
71.08634	27.4
79.05071	2.3
79.05499	34.0
81.03418	4.3
81.06595	2.8
81.07059	41.3
83.04968	4.9
83.08623	7.2
85.06522	1.8
91.05481	20.7
93.07048	39.9
95.04965	8.5
95.08609	26.0
97.06541	10.7
97.10155	3.5
98.98471	19.7
99.08095	17.0
105.07028	16.9
107.04964	4.6
107.08609	19.0
109.06500	2.7
109.10175	7.7
111.08078	2.5
117.07033	5.7
119.08602	13.3
120.04453	1.6
121.10160	17.3
123.08046	2.4
123.11680	1.9
129.06978	1.6
131.08551	5.0
133.10152	12.5
135.11688	20.7
137.09613	2.7
139.11189	1.6
143.08597	2.8
143.29362	1.6
145.10152	3.2
147.11671	5.7
149.13228	6.4
151.11174	12.6
155.01073	5.3
157.10037	2.2
159.11719	4.0
161.13240	9.0
163.11221	4.8
165.12685	2.1
171.11656	2.1
173.02170	4.4
177.12743	3.5
179.14317	53.4
181.12329	1.8
185.13216	2.2
199.14821	1.4
235.16956	2.9
241.19522	2.2
254.24518	1.4
259.20551	5.6
277.21631	43.7
333.24167	2.6
351.25314	100.0
398.60013	1.7
431.21848	1.8
449.29031	7.0
464.43106	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	450.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.2
55.05494	0.3
55.42444	0.2
56.05036	0.5
57.03430	0.5
58.06610	0.3
60.08168	6.1
61.02914	0.1
62.30897	0.1
66.42309	0.2
67.05502	0.5
69.03426	0.7
69.07073	0.4
69.58704	0.5
69.59135	0.6
70.06592	0.6
71.05001	0.2
71.07375	2.7
79.05492	0.6
81.03420	2.9
81.03873	0.4
81.07060	0.5
83.04987	0.3
83.08627	0.2
85.02895	1.3
86.03247	0.2
86.09708	29.5
91.05498	0.5
93.07050	0.5
95.04974	0.5
95.08624	0.4
97.02895	0.6
97.06535	0.5
98.09693	0.3
98.21515	0.2
98.98472	2.6
99.04449	0.4
104.10738	3.0
105.07038	0.4
107.08630	0.2
109.02900	0.3
109.06466	0.2
111.08145	0.2
119.08562	0.5
120.08073	0.2
121.02855	0.3
121.06487	0.3
121.10118	0.3
125.00008	20.1
125.05955	0.8
127.03928	0.7
129.07030	0.3
132.19281	0.1
132.80054	0.2
134.69958	0.2
135.08047	0.2
143.07011	0.2
147.11653	0.4
153.01814	0.3
157.10115	0.4
159.02803	0.2
165.01891	0.2
175.11139	0.3
184.07344	100.0
185.07993	1.3
191.08141	1.1
203.28149	0.2
211.13251	0.2
214.62808	0.2
215.06958	0.2
235.13316	0.6
246.14873	0.8
253.14403	0.5
254.13524	0.4
259.09634	0.4
267.15897	0.5
287.05484	3.0
288.05850	7.8
307.12888	0.4
323.41003	0.2
349.14075	0.2
362.18323	0.2
432.21570	0.9
450.22510	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	450.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03440	0.4
58.06598	0.5
60.07892	0.4
60.08168	6.4
64.36341	0.3
66.14813	0.3
67.05501	0.9
68.82024	0.3
69.03417	0.6
69.07082	0.6
70.06577	0.8
71.07378	2.7
71.36142	0.5
71.58675	0.3
79.05491	0.7
81.03419	2.2
81.07050	1.3
83.08636	0.5
85.02901	0.4
86.09710	30.5
91.05476	1.0
93.07039	1.1
95.04948	0.5
95.08607	0.9
97.06516	1.0
98.06082	0.4
98.98473	2.0
104.10744	3.6
105.07028	0.9
107.04894	0.3
107.08586	0.6
109.10177	0.6
119.08573	0.6
121.10159	0.7
125.00009	20.2
125.09575	0.3
129.07057	0.4
131.08588	0.3
133.10153	0.5
142.07755	0.4
145.10146	0.5
147.11681	0.4
163.03856	0.7
184.07350	100.0
185.07689	0.5
208.63313	0.3
216.16035	0.7
244.79974	0.3
249.43652	0.3
259.09668	1.0
267.16046	0.6
364.13690	0.8
432.21371	1.2
450.22406	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	450.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21626	1.9
55.05514	9.7
57.03428	9.6
57.37144	2.3
63.90807	1.9
67.05185	2.8
67.05508	41.9
69.07071	11.2
74.05521	1.8
79.05499	22.1
80.33803	2.1
80.84553	2.0
81.07061	39.3
83.08584	2.5
91.05472	10.3
93.07050	27.4
95.08617	28.1
97.06500	2.6
97.50504	2.1
98.98481	33.2
105.07016	4.7
107.08598	16.6
109.10181	10.2
109.14089	1.9
119.08596	7.8
121.10143	11.0
123.11708	4.3
131.08536	4.6
133.10120	4.2
135.11687	7.5
145.10110	5.8
147.11693	3.6
149.02322	2.7
149.13269	6.8
155.01122	10.8
163.14833	5.9
173.02171	6.6
187.14777	2.2
201.81612	2.0
224.74222	2.2
233.57501	2.0
243.20975	6.4
261.22156	23.9
317.24649	3.4
335.25827	100.0
360.10730	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	450.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
55.05527	11.1
57.03447	8.2
57.07074	1.7
60.18490	1.5
67.05508	39.4
69.07075	11.3
70.06595	2.1
71.05013	2.2
71.53876	2.3
79.05495	23.1
81.07064	36.6
83.08620	5.3
88.07648	2.4
91.05485	12.3
93.07056	27.0
95.08616	35.2
97.10192	2.2
98.98470	41.1
104.40974	1.7
105.07048	7.4
107.08595	17.6
109.10155	13.8
117.07053	3.9
119.08599	7.1
121.10158	10.8
123.11712	4.7
124.97613	1.5
131.02301	1.6
131.08568	4.6
133.10141	5.1
135.11716	8.1
145.10179	5.4
147.11687	4.7
149.02330	7.6
149.13263	6.6
155.01114	9.3
159.11707	2.6
161.13284	2.9
163.14816	3.5
173.02159	9.1
173.13261	2.4
177.16379	2.6
179.14539	1.7
184.07355	4.0
187.14809	2.7
193.05006	8.8
241.65504	1.8
243.21130	7.5
261.22186	21.4
284.29315	4.2
317.24673	3.0
335.25830	100.0
450.32385	15.2
463.68314	1.8
475.28064	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	450.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
53.65036	0.6
55.01884	2.8
55.05513	3.7
57.03447	5.5
57.07069	2.1
58.21141	0.6
61.02928	8.9
67.05508	10.2
69.03435	18.8
69.07069	7.1
70.06609	1.0
70.92466	1.5
71.01361	0.7
71.04990	2.6
71.08643	1.5
73.02924	3.2
79.05491	1.6
81.03424	8.7
81.07060	13.3
83.01337	0.9
83.08616	5.1
84.04477	0.9
85.02910	100.0
85.06564	0.6
86.03228	0.5
87.04482	2.4
88.07632	1.6
91.03964	6.0
91.05484	0.9
93.07052	1.9
95.04980	0.6
95.08612	21.7
97.02897	24.3
97.03533	1.2
97.10167	4.4
98.98483	2.3
99.04464	5.2
102.09180	1.1
103.01296	0.6
105.07023	0.7
107.08616	1.4
109.02886	7.9
109.10156	10.9
111.11739	4.4
115.03931	0.8
121.10137	1.0
123.11716	6.3
125.13283	2.8
127.03923	21.8
131.08586	1.0
135.11711	1.0
137.13255	5.4
145.04970	38.7
149.02347	3.9
151.14848	2.6
163.06024	4.6
165.16429	0.9
180.08699	2.3
184.07367	0.8
193.05000	5.0
207.21101	11.4
225.22151	35.2
226.22255	0.7
235.20702	0.9
243.01207	0.6
253.21750	1.6
261.22174	0.8
267.35626	0.7
271.22748	2.1
284.29492	1.5
335.25894	6.3
450.32343	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	450.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01870	2.8
55.05504	3.7
57.03440	6.3
57.07070	5.2
58.06574	1.5
58.53751	0.9
61.02925	9.8
63.55235	1.0
64.56963	1.0
65.03951	1.7
65.59913	0.9
67.05510	8.4
69.03429	17.0
69.07070	5.9
70.02818	4.9
70.06593	7.6
71.04990	3.3
71.08630	2.9
73.02916	2.7
76.58089	1.2
79.05486	1.8
81.03423	9.3
81.07054	12.4
83.08607	5.8
85.02909	100.0
87.04472	2.5
88.07639	11.3
91.03958	4.1
92.81091	1.2
95.08617	20.6
97.02895	28.0
97.10155	4.6
99.04457	4.2
99.36336	1.2
102.09188	7.7
105.07034	1.1
109.02881	7.8
109.10143	10.2
111.11723	4.4
123.11722	6.8
125.13274	3.2
127.03931	19.0
137.13249	5.2
145.03798	1.2
145.04962	36.4
149.02353	36.4
149.03424	2.0
151.14807	3.0
163.06029	3.5
180.08684	1.8
184.07346	1.4
191.69209	1.1
193.04971	45.0
200.83914	1.4
207.21077	10.7
209.89667	1.0
225.22145	36.5
225.24295	2.0
232.97626	1.2
235.20561	1.3
253.21729	1.7
271.22745	2.3
276.62296	1.1
284.29480	18.8
450.32193	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	452.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.05028	0.4
57.03439	0.5
58.06609	0.3
60.08168	5.8
61.02933	0.2
67.05504	1.6
69.03430	0.3
69.07064	0.8
69.37773	1.5
70.06599	0.3
71.04996	0.3
71.07027	0.3
71.07378	2.5
79.05504	1.5
81.03419	0.5
81.07053	1.3
83.04972	0.4
83.08633	0.4
85.02902	0.4
86.09710	28.6
91.05495	0.5
93.07050	1.5
95.04959	0.3
95.08603	0.6
97.06537	1.7
97.10140	0.3
98.06884	0.3
98.98467	2.8
100.11253	0.5
104.10750	4.1
105.07052	0.5
107.08606	1.4
109.02876	0.2
109.10168	0.5
115.67525	0.2
119.08512	0.2
120.06609	0.2
121.10182	0.3
125.00012	20.1
131.08565	0.3
133.10143	0.3
135.11694	1.9
145.10149	0.3
149.13228	0.5
163.03920	0.6
163.11154	0.2
164.04259	0.2
169.12221	0.2
173.02414	0.3
181.12239	0.4
184.07349	100.0
185.07600	0.4
209.16484	0.2
215.06937	0.2
216.07393	0.4
255.15915	5.5
259.09686	0.5
259.52103	0.2
260.09991	1.3
305.21173	0.2
422.54111	0.2
434.23004	0.9
452.18121	0.4
452.24030	6.6
453.11670	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	452.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
53.19090	0.4
55.01863	1.6
55.05275	0.5
55.05515	4.4
57.03435	1.1
57.07067	2.0
59.06726	0.4
61.02928	1.2
62.06100	0.6
67.05495	1.9
69.03439	3.5
69.07075	5.1
71.08627	0.8
71.53739	0.4
73.02910	0.5
79.05489	1.0
81.03415	1.1
81.07049	2.1
83.08614	3.1
85.02909	16.5
85.10231	0.4
86.06059	0.9
88.23078	0.4
91.03958	1.0
91.05489	0.5
93.07053	1.0
95.08604	1.4
96.08115	0.5
97.02903	4.8
97.06567	0.5
97.10164	1.7
98.06059	7.0
98.98503	0.6
99.04441	0.6
107.08594	0.4
109.02875	1.4
111.11682	0.6
112.07588	1.6
126.46515	0.4
127.03930	4.2
133.10062	0.4
137.88577	0.4
144.81261	0.4
145.04971	7.6
153.60025	0.5
155.01105	0.5
155.18205	0.4
163.06056	0.6
177.01898	0.4
197.27037	0.4
224.90117	0.4
227.23691	2.8
240.30383	0.4
280.26361	100.0
281.26654	1.3
282.97379	0.4
298.27347	1.5
337.27365	1.5
358.61163	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.0
55.01875	3.1
55.05511	2.5
57.03446	5.1
57.07066	2.1
61.02925	9.8
67.05496	0.7
69.03429	18.7
69.07069	5.0
71.04997	2.3
71.08627	1.1
71.53122	0.6
72.04512	0.6
72.34931	0.5
73.02912	2.9
81.03416	7.6
81.07064	1.6
83.01330	0.7
83.08613	4.2
85.02905	100.0
85.10184	0.8
87.04468	2.0
91.03951	4.3
93.07048	0.6
95.08617	0.6
97.02893	25.0
97.10170	4.7
98.06062	1.6
99.04450	4.9
109.02886	7.8
111.11735	2.3
115.03920	0.8
125.13317	0.7
127.03918	21.4
145.04961	41.5
152.37976	0.5
157.43915	0.4
163.03902	0.5
163.05997	5.7
163.07237	0.5
173.13362	0.6
180.08690	1.6
227.23698	12.0
245.01067	0.5
268.26318	0.7
271.94434	0.7
272.20160	0.5
273.24249	0.7
280.26355	20.8
358.45401	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	2.0
55.05503	10.9
55.79105	2.4
57.03445	3.6
57.07067	3.3
57.56599	2.6
67.05506	22.5
69.07063	7.6
69.33371	19.8
79.05492	31.0
81.07063	27.7
83.08617	6.4
89.06013	4.0
91.05498	15.7
93.07047	40.7
95.08620	19.2
97.06537	2.6
97.10162	4.6
98.20716	4.0
98.98475	7.2
105.07050	6.7
107.08602	26.5
109.10132	8.7
117.07018	6.4
119.08554	8.4
121.10146	25.5
130.08669	5.7
130.15942	5.4
131.08562	4.8
133.10135	7.7
135.11710	30.3
147.11700	6.3
149.13277	17.3
155.00998	4.7
159.11795	3.1
161.13293	3.5
163.14864	5.8
213.16376	2.6
235.16833	3.7
239.15085	4.1
277.21637	100.0
315.11539	3.5
337.27365	8.0
368.87115	2.6
400.70877	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	453.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01882	1.0
55.05511	7.7
61.02924	1.5
65.03941	0.9
67.05520	3.2
68.99790	1.3
69.03432	13.0
69.07062	1.8
69.12514	0.6
69.53271	3.8
70.06593	1.0
71.04996	2.3
72.08102	0.7
79.05505	3.2
81.03426	4.3
81.07063	4.3
83.04979	1.8
85.02914	4.7
86.09699	1.6
87.00820	1.7
89.97850	0.6
91.05480	7.7
93.07038	4.4
95.04965	2.1
95.08604	7.9
97.02900	2.5
97.06537	1.6
99.04461	2.6
105.07024	7.9
107.04991	1.0
107.08597	29.6
108.05751	3.8
109.02900	4.0
109.06538	4.2
109.10144	1.0
111.04425	1.4
113.06030	2.3
115.05512	0.8
117.07025	2.8
119.08574	6.6
120.08102	0.9
121.06506	5.9
121.10155	3.1
123.08074	100.0
123.99311	0.6
124.08431	0.7
127.03925	7.9
128.06256	0.8
129.01848	1.2
129.07004	1.0
131.08563	2.6
133.06444	1.0
133.10141	12.5
135.08061	17.3
135.11723	4.4
137.05980	0.9
142.07767	0.6
143.08569	1.3
144.09348	1.9
145.04903	1.4
145.06567	0.6
145.10176	4.9
147.02913	0.9
147.07997	0.9
149.05986	0.7
149.09653	0.7
149.13287	3.1
151.07567	1.1
152.05641	1.8
153.09135	1.6
157.10172	1.1
159.08134	1.4
159.11703	9.9
161.09618	1.1
163.03929	0.6
163.11176	5.0
175.11211	0.9
177.05545	0.7
177.12773	16.2
187.06100	0.6
187.11206	2.5
205.12250	41.0
215.10846	0.7
223.13232	3.4
245.12813	4.3
256.09641	1.2
261.10342	0.8
273.12271	4.8
313.14374	0.8
331.15268	0.9
349.16574	1.2
352.52042	0.7
397.89423	0.6
406.49924	0.7
453.17621	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
53.48198	1.2
55.01870	3.3
55.05506	2.5
57.03432	3.1
59.49648	1.3
61.02917	3.3
66.75394	1.5
67.05505	1.7
68.99798	2.1
69.03086	1.5
69.03433	17.8
69.07063	3.4
70.06579	3.6
71.04988	2.9
71.51482	1.2
73.02918	2.9
79.05480	4.8
80.14300	1.3
81.02995	1.9
81.03426	23.6
81.07045	5.5
83.04939	1.3
84.08132	1.9
85.02447	1.8
85.02913	27.0
86.03223	1.2
86.09690	3.8
87.00827	10.2
91.05476	10.3
93.07037	7.7
95.04951	4.1
95.08595	2.9
97.02891	14.9
99.04458	7.1
100.49068	1.5
103.03933	1.4
103.05458	2.5
105.01875	6.0
105.07036	69.7
107.08582	1.8
109.02882	16.2
109.06510	2.3
111.04469	2.1
113.02341	1.9
115.03926	3.2
115.05453	3.1
116.06244	1.5
117.06237	2.1
117.07028	32.6
117.07858	2.1
119.04913	1.5
119.08574	14.9
121.06472	4.2
123.08073	2.2
126.34099	1.2
127.03008	1.5
127.03926	27.2
128.06227	10.0
129.01863	1.9
129.06989	9.1
130.07771	3.7
131.08574	31.0
133.10135	18.5
135.08031	3.5
135.11656	1.4
136.03918	1.3
136.07570	1.8
137.05957	1.8
138.09128	3.1
141.06964	2.8
142.07770	4.6
143.08571	31.0
144.09349	7.3
145.04958	7.3
145.10130	8.0
146.75319	1.3
147.04405	4.8
147.08026	1.8
154.04948	6.6
154.07753	2.0
155.08458	1.8
157.10146	14.1
159.02866	5.1
159.08067	3.0
159.11702	100.0
161.09613	4.0
161.13266	52.8
163.11189	1.7
169.10126	7.2
171.11717	7.1
173.04485	2.1
173.09589	1.3
175.11229	1.4
177.12781	5.9
181.10129	1.7
185.09607	2.2
187.11198	24.7
189.03923	2.0
189.12704	6.4
195.11606	1.7
199.11177	2.0
201.12730	1.2
203.10725	2.8
205.12242	14.7
211.11134	2.2
217.12253	1.9
223.11182	2.4
231.04959	4.6
249.12799	1.8
259.04507	1.3
267.13739	2.8
273.12357	2.5
275.03946	1.8
291.13452	2.3
399.14334	3.0
409.11475	1.3
417.15640	1.8
435.16385	3.0
453.18018	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	453.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01870	3.2
55.05521	8.2
57.03430	4.3
57.07067	5.1
59.54224	1.7
61.02901	2.5
67.05502	4.3
67.67904	2.1
69.03440	16.5
69.07069	23.2
69.16757	4.1
69.17162	14.8
71.04981	6.2
71.08634	3.2
73.02911	2.3
73.06552	5.2
79.05496	2.4
81.03428	22.5
81.07050	4.1
83.04983	3.8
83.08633	3.9
84.08066	1.6
85.02911	66.8
88.34432	2.1
91.05459	3.7
93.07044	4.5
95.04981	1.9
97.02894	21.4
97.06535	11.4
98.09635	1.6
99.03847	3.1
99.04459	40.7
100.11294	8.5
103.03948	84.6
105.07050	3.6
107.08595	2.4
109.02891	19.5
111.04494	1.8
111.08076	2.8
111.11723	17.9
112.65780	1.9
115.03934	2.3
121.10084	4.8
123.04483	1.7
123.75189	1.8
127.03922	100.0
129.12766	25.2
133.10139	3.6
145.04968	46.3
145.10146	2.0
147.11629	2.7
147.13780	2.9
152.82935	2.0
157.12265	1.9
159.08099	1.9
163.06023	30.7
182.15385	3.3
185.07922	1.7
187.06035	17.2
205.07074	4.3
209.16528	4.2
210.14946	2.6
211.13297	3.1
212.13515	4.1
225.76324	1.7
271.08154	10.2
277.05124	1.9
279.23209	1.8
289.09100	7.0
291.12167	9.8
291.18045	2.0
307.10205	4.2
315.18018	22.8
326.27631	1.7
335.64545	1.5
409.09100	4.1
453.11874	3.3
453.17435	13.0
453.34485	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	453.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51429	6.0
53.03940	11.8
55.01861	16.8
55.05510	71.8
57.03424	7.9
57.07060	16.3
59.04985	7.0
59.36767	5.8
61.02924	7.7
61.57260	7.1
67.05501	61.8
69.03411	19.9
69.07080	30.9
70.06573	8.1
70.63609	17.8
71.04978	12.3
74.09709	20.1
79.05151	5.7
79.05503	65.2
81.03431	29.8
81.07061	65.0
82.06595	7.8
83.04974	22.4
83.08632	44.0
84.04495	11.4
84.08152	6.3
85.06540	15.7
86.09696	17.6
91.05483	38.4
93.07059	44.9
95.04971	22.1
95.08591	25.6
97.06536	89.4
97.10152	17.2
100.07625	13.7
100.11259	100.0
101.11616	7.0
103.40499	5.6
105.07016	27.6
107.04947	16.0
107.08577	29.9
109.06503	11.0
109.10159	23.1
110.06047	9.1
111.04448	33.6
112.07596	6.9
119.08556	18.0
121.06496	8.7
121.10123	25.2
125.00002	9.7
125.09599	17.5
128.07043	15.9
131.08549	21.9
133.10094	12.0
135.08041	10.8
135.11702	9.0
141.82028	6.1
145.06497	17.6
145.10081	7.6
147.08017	8.9
147.11642	17.1
149.09610	14.5
154.12256	6.9
156.13820	41.0
157.10170	16.8
159.11682	10.4
161.09618	10.2
163.11208	8.0
165.09082	9.2
167.10638	11.4
171.14891	6.3
175.11165	12.3
175.14838	6.1
182.15427	73.1
183.11699	6.2
184.07390	30.2
184.13324	41.9
185.07600	8.0
189.12694	7.5
193.12210	24.3
199.11058	6.3
199.13258	15.6
202.14417	6.5
205.12238	7.3
209.16493	30.7
210.14909	70.8
211.07535	6.1
211.13303	74.4
221.06139	6.3
228.15897	11.3
229.56197	6.5
237.05383	14.3
249.05493	11.6
255.13866	10.1
259.12823	6.8
261.09988	8.4
265.04944	8.9
273.14771	10.2
281.04489	14.5
283.06042	11.3
283.23871	12.9
293.04398	15.4
311.05441	19.1
321.03943	9.1
337.21097	16.7
339.05081	9.5
349.21454	18.1
363.08719	8.4
367.04468	20.2
367.22760	61.3
385.23773	85.4
389.09833	7.6
403.24927	47.3
407.11218	17.6
409.09244	37.7
410.30173	66.3
435.10754	38.7
435.33347	14.7
444.33746	11.6
453.11890	64.3
453.20966	17.5
453.34433	65.9
453.84317	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	454.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.5
57.03435	7.5
57.07077	33.8
61.02918	0.8
68.28591	0.3
69.03420	0.4
70.03319	1.2
70.06562	0.4
71.01341	0.6
73.02910	1.1
81.03378	0.5
81.07056	0.3
83.05004	0.3
85.02906	5.0
85.06546	41.0
88.07631	0.3
95.01355	1.7
97.02894	0.8
99.00827	0.4
103.03960	0.6
103.07589	7.9
104.60722	0.3
113.02365	2.2
121.10173	0.4
127.03867	0.6
131.03400	0.7
141.01848	4.4
147.04338	0.4
149.02402	0.4
159.02896	0.9
159.10170	100.0
160.10481	0.7
177.11185	0.9
200.20126	0.5
243.15926	30.0
261.09750	2.7
261.16974	1.6
285.10233	0.5
313.20230	0.4
335.13171	1.7
345.60434	0.3
450.12042	0.3
454.27875	1.4
468.45105	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.293
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
53.33345	0.4
54.49450	0.4
55.05516	2.0
57.03438	3.1
57.07077	18.5
58.10966	0.4
61.81870	0.5
62.06091	22.7
67.05502	3.1
67.64705	0.4
69.07065	3.6
70.77705	1.1
71.08631	13.5
74.66574	0.4
81.07053	4.8
83.08616	4.4
83.20379	0.4
85.10190	8.0
89.06034	0.9
95.08607	6.6
97.10180	1.8
98.98476	5.6
103.07578	0.6
109.10191	3.1
123.11701	1.1
124.01627	1.1
137.13286	0.7
142.02628	1.3
151.40031	0.5
155.01033	4.8
198.05292	1.3
216.06314	3.0
221.22682	0.5
239.23735	1.3
282.27927	10.5
282.31042	0.6
287.24634	0.5
313.27368	100.0
314.27676	1.5
339.28149	0.5
393.24008	7.9
398.78271	0.4
436.28290	4.5
454.28821	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	454.293
Annotation	Glycerophospho-N-Palmitoyl Ethanolamine
Peak:m/z	Relative Intensity
55.05508	2.2
55.85260	0.3
57.03161	0.3
57.03443	6.0
57.07079	22.2
60.88033	0.3
62.06058	0.3
64.13984	0.4
67.05509	4.6
69.07073	5.5
69.70380	1.3
71.08636	15.5
71.15277	0.3
79.05505	0.6
81.07059	6.4
83.04995	0.4
83.08612	5.2
85.06537	0.5
85.10184	9.2
89.06033	1.6
93.07018	0.7
95.08614	9.5
97.06483	0.4
97.10169	2.5
98.20722	0.4
99.11726	0.4
103.07570	1.1
109.10166	4.1
111.11732	0.5
117.09121	0.3
121.10169	0.4
123.11718	1.2
135.11783	0.4
137.13239	0.6
140.21193	0.3
165.16435	0.4
239.23709	1.6
257.24829	1.8
282.28015	3.2
313.27374	100.0
314.27722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.4
57.07081	34.8
67.05517	0.7
69.07070	2.0
70.97645	1.3
71.08636	24.8
73.06561	5.7
75.85199	0.5
79.50430	0.6
83.08628	2.4
85.10187	18.0
87.04467	3.5
89.06038	100.0
91.07612	1.0
95.08581	0.8
97.10185	2.6
99.11739	4.9
107.07092	1.9
113.13287	1.3
117.09155	2.6
130.08661	2.2
133.08611	49.7
135.10188	1.0
155.17918	3.7
177.11237	17.7
190.63618	0.8
195.12308	2.0
199.20509	3.6
221.13922	2.4
239.14958	2.7
240.23352	1.2
243.23228	12.6
283.17538	18.4
287.25821	4.8
349.29471	1.6
393.32147	2.3
437.34790	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	455.1166
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84529	0.4
69.84908	0.2
71.21084	0.1
78.69705	0.1
82.46696	0.1
83.26713	0.1
94.93006	0.2
98.20838	0.1
110.58768	0.1
112.89610	100.0
114.89338	0.3
182.83948	0.1
212.85182	0.1
263.05994	0.1
275.06213	0.2
305.66190	0.1
363.88275	0.1
381.08005	1.1
455.11655	13.9
456.12009	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	455.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01862	0.3
55.05500	0.6
57.03440	0.3
65.03941	0.7
67.01868	2.6
67.05505	1.3
69.03407	0.7
69.07089	0.4
69.96566	0.4
69.96980	0.7
70.06567	0.2
71.04983	0.5
74.36233	0.2
79.05492	1.2
81.03424	1.8
81.07069	1.2
83.04971	0.3
83.08604	0.3
84.04488	0.2
85.02899	1.5
91.05486	9.0
93.07029	0.7
95.04951	0.5
95.08601	0.5
97.02887	0.9
97.06535	1.4
98.21463	0.2
99.04436	1.2
100.11226	0.3
102.25227	0.2
105.07024	1.1
107.04939	0.5
107.08578	0.6
109.02880	4.3
109.06504	0.3
109.10162	0.6
112.47209	0.2
117.07048	0.3
119.04949	21.1
119.08592	1.3
121.10167	0.7
123.11681	0.2
125.09637	0.3
127.02972	0.4
127.03918	7.5
129.07007	0.3
131.08588	0.3
133.06464	0.2
133.10144	0.6
135.08109	0.3
135.11720	0.2
143.08612	0.2
145.10147	0.5
147.04414	100.0
147.11719	0.5
148.04750	0.7
156.09395	0.4
159.02875	0.3
161.09773	0.3
161.13258	0.5
163.03940	0.5
169.10172	0.2
171.11682	0.5
187.07608	0.3
189.12799	0.9
207.13766	1.0
214.12947	0.2
243.10884	0.2
255.06494	1.1
267.09042	0.3
273.07559	8.0
275.20084	0.7
285.09918	0.5
372.45020	0.2
391.11707	0.5
408.18301	0.3
455.14911	1.4
455.22580	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86278	1.2
51.29109	1.0
51.96722	1.2
53.03939	3.5
55.01855	2.8
55.05521	6.0
55.77574	1.4
57.03425	1.5
57.07059	2.5
59.04997	2.7
61.02916	1.2
65.03933	1.8
67.05179	1.5
67.05511	18.5
67.25619	1.0
68.99806	1.5
69.03436	11.6
69.07053	3.3
69.68939	6.5
71.04978	1.9
79.05481	4.5
81.03421	9.7
81.07056	5.6
83.04985	4.9
83.08624	1.4
85.02915	13.6
85.06545	7.6
86.09704	1.5
87.00842	6.7
88.54630	1.1
91.05473	7.2
93.07057	8.5
95.04959	4.6
95.08614	67.9
97.02888	5.4
97.06560	2.0
99.04459	4.2
103.03960	3.8
105.01846	3.1
105.07035	11.8
107.08604	10.8
108.38197	1.2
109.02876	12.8
109.06540	3.8
109.10165	4.2
113.06020	9.8
113.24276	1.1
117.07024	2.3
119.04962	1.2
119.08591	25.3
121.06508	5.8
121.10165	8.8
123.08072	24.1
123.11685	1.3
127.03911	16.9
129.01949	1.1
129.06981	2.2
131.08565	3.1
131.51787	1.2
133.06468	3.3
133.10126	10.5
135.08076	3.4
135.11713	10.1
137.09613	5.6
143.08560	1.7
145.04971	3.0
145.10143	3.6
147.08023	6.1
147.11696	7.9
149.09622	48.2
150.69850	1.0
151.07539	2.7
151.11137	1.2
151.14845	3.3
152.05690	5.5
153.06032	2.5
156.09373	3.3
159.08073	3.8
159.11702	1.5
161.09608	3.9
161.13272	27.6
163.11200	8.3
165.09201	1.1
165.12781	6.5
171.10033	0.9
171.11710	4.5
173.11797	1.7
174.10428	8.8
179.14323	2.5
184.07391	1.3
189.12749	73.1
191.14317	4.4
207.13814	100.0
213.03900	1.5
225.14911	3.4
229.40581	1.3
231.04950	3.1
253.86679	1.2
335.05634	1.8
351.17758	2.2
354.23862	2.2
437.17795	2.6
455.19235	3.8
462.36267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.7
55.01878	6.4
55.05513	5.8
57.03443	5.5
61.02928	5.2
61.35194	0.8
61.43992	0.8
63.81258	0.9
67.05490	3.6
68.99786	4.0
69.03433	39.8
69.07056	4.0
69.44962	0.9
69.80433	4.0
70.06621	0.9
71.04991	4.8
72.23509	0.9
73.02927	7.0
74.49850	0.9
75.39789	0.9
77.48087	0.9
78.89021	0.8
79.05492	5.7
81.03421	39.5
81.07066	5.7
81.90161	0.9
83.01321	1.2
83.04974	2.8
83.08584	0.9
85.02908	44.8
87.00835	23.4
91.03964	2.2
91.05476	10.5
93.07044	14.6
95.04975	4.0
95.08591	5.1
97.02892	19.7
97.06561	1.2
98.20832	1.4
99.04456	11.3
100.11237	3.7
101.11552	1.1
103.05456	1.7
105.01872	12.8
105.07037	71.1
107.08602	11.7
109.02891	37.8
109.06521	2.4
109.10178	1.4
113.03484	1.7
115.03968	1.7
117.01838	3.9
117.07010	5.2
119.08591	68.6
121.02837	1.6
121.06533	1.1
121.10164	9.6
123.08030	1.4
127.03922	46.8
128.06181	1.5
129.01831	3.5
129.07002	2.6
130.07805	2.1
131.08566	7.3
133.06500	13.9
133.07495	1.6
133.10133	14.4
135.08005	1.3
137.09584	1.5
143.08565	7.3
145.04962	13.0
145.10129	18.7
147.02878	3.3
147.08060	4.3
147.11696	8.9
149.09625	12.8
152.05676	3.2
153.06085	1.1
156.09387	6.2
159.02898	17.2
159.11671	6.5
161.09630	2.8
161.13268	100.0
163.11194	3.2
163.14778	1.0
171.11722	10.5
173.13173	1.1
174.10353	1.4
175.03949	1.0
179.10664	2.9
179.14285	4.4
185.13396	1.0
189.12755	54.1
191.14359	7.1
207.13812	11.1
213.03926	2.4
225.85260	1.1
231.04996	11.5
280.57578	0.9
455.13391	1.5
455.19040	13.4
455.34644	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	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01869	1.8
55.05507	2.9
57.03440	1.2
65.68900	0.7
67.05499	2.0
67.08501	0.7
69.03089	1.4
69.03433	18.2
69.07059	2.5
70.84919	1.7
71.04984	2.6
73.02906	0.9
79.05497	11.3
81.03429	10.4
81.07053	1.5
83.04979	8.8
83.08617	0.9
85.02909	8.0
85.06538	1.0
87.00830	3.7
91.05489	6.1
93.07045	3.1
95.04974	2.0
95.08624	2.8
97.02895	3.5
97.06542	2.0
99.04463	4.0
103.05463	3.8
105.01891	1.8
105.07041	8.1
107.08585	10.1
109.02901	7.3
109.06498	1.6
117.06993	1.2
117.43178	0.8
119.04953	3.6
119.08605	5.6
121.06501	6.2
121.10129	6.4
123.08053	5.9
127.03916	13.4
129.07042	1.6
131.08601	6.2
133.06499	100.0
133.10072	5.0
135.07104	1.0
135.08049	7.0
143.08583	2.8
144.09325	1.0
145.04977	2.0
145.10133	2.8
147.04420	15.1
147.07991	1.4
147.11656	5.2
149.09610	4.7
149.13246	1.8
151.07536	1.7
158.10876	3.9
159.02907	2.2
159.08055	0.9
161.09641	4.4
161.13307	1.3
163.11185	7.7
163.14911	1.0
173.13232	7.8
174.10406	1.0
176.12022	1.5
189.12749	21.9
191.14319	72.2
207.13814	24.2
207.15762	1.4
228.85741	0.8
231.05034	1.9
270.55576	0.9
279.95636	0.8
297.15067	0.9
351.47742	0.9
357.93378	0.8
437.17810	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68484	0.8
53.03944	3.2
55.01877	1.2
55.05501	2.4
56.90131	0.8
57.03436	0.7
69.03434	13.8
69.07071	3.8
70.59610	0.7
70.84415	1.7
77.03912	1.1
79.05502	9.3
81.03424	3.2
81.07055	2.0
83.04990	8.1
83.08654	1.4
85.02908	4.0
86.09680	0.9
87.00816	2.8
91.05485	3.9
93.07062	3.1
95.04961	1.5
95.08576	2.4
97.02892	2.9
97.06536	1.5
97.66971	0.9
99.04482	1.9
103.05471	4.4
105.01875	2.2
105.04529	1.2
105.07037	8.1
107.08594	11.9
109.02876	2.9
109.06502	1.7
115.05526	0.8
117.07048	0.9
119.08587	6.6
121.06516	6.2
121.10140	7.2
123.08063	2.8
127.03914	3.8
129.07022	1.2
129.90395	0.7
131.08580	4.8
133.06499	100.0
133.10110	5.6
135.08061	7.3
135.11737	1.6
143.08591	2.4
144.09369	0.9
145.04984	0.9
145.10130	3.4
147.08066	3.1
147.11699	5.5
149.09641	3.8
149.13232	1.8
151.07655	0.8
156.09331	0.7
158.10892	4.4
161.09641	3.7
161.13313	1.1
163.11182	4.8
171.11731	1.4
173.13268	8.1
174.10374	0.9
176.11934	1.8
189.12730	17.0
191.14313	75.2
192.14638	1.1
207.13814	17.1
229.12196	1.1
297.14865	1.1
363.33478	0.8
434.23560	0.8
455.18561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
53.36445	1.1
55.01867	1.2
55.05511	15.1
55.34232	1.0
57.03442	11.3
57.07071	2.3
65.03934	2.1
67.05507	50.9
69.07070	13.8
69.18981	7.0
69.19404	4.5
71.04973	1.7
79.05496	27.5
81.07056	49.1
83.04976	1.5
83.08620	5.3
91.05490	14.4
93.07047	26.8
95.04953	2.5
95.08607	35.4
97.06503	1.6
97.10165	2.2
105.07040	7.2
107.08606	13.6
109.06507	1.8
109.10148	12.5
117.07000	2.7
119.08577	6.3
120.96641	76.7
121.10123	9.7
123.08069	1.7
123.11707	2.4
131.08560	4.6
133.10123	3.3
135.11684	5.4
145.10144	3.3
147.11685	2.0
150.10095	1.2
156.97545	2.4
161.99324	1.6
165.66570	1.5
174.98515	2.2
175.14897	1.8
195.00307	7.6
213.00073	3.4
282.27991	4.1
283.28278	23.0
319.21326	1.3
335.25818	100.0
336.26004	1.7
357.23987	47.7
358.24261	1.4
373.14841	2.0
379.80219	1.4
384.95670	1.5
388.36737	1.2
405.18335	1.4
432.18805	1.8
437.20245	1.4
455.21686	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01859	2.0
55.05507	2.7
57.03426	2.7
57.07076	1.0
59.05000	1.3
60.43808	0.7
61.02932	0.9
67.05495	2.6
68.05257	0.7
69.03085	1.4
69.03432	17.9
69.07063	4.5
69.67271	4.1
70.06614	1.2
71.04993	1.7
72.08164	1.1
73.02931	1.1
79.05480	3.0
79.77858	0.8
81.03422	12.2
81.07068	5.3
83.04990	8.5
83.08628	1.9
85.02912	11.2
85.06539	2.5
86.25532	0.7
87.00825	4.4
91.05482	4.0
93.07048	7.4
95.04957	2.1
95.08605	7.6
97.02894	7.0
97.06527	1.5
99.04450	5.7
99.08083	1.5
103.03896	0.7
105.01878	2.3
105.07043	6.0
107.08604	15.4
109.02875	13.4
109.06541	6.2
109.10155	3.2
111.08083	6.0
114.83443	0.8
117.07027	1.1
119.08606	4.3
121.06542	1.7
121.10144	13.2
123.08080	4.4
123.11719	2.3
125.08773	1.5
125.09638	20.5
127.03930	12.2
129.07013	0.8
131.08572	5.5
133.10121	9.4
135.08061	19.0
135.11699	5.6
137.09579	1.4
143.08478	1.0
145.04994	4.6
145.10124	3.1
147.11699	2.9
149.09628	30.0
149.13284	4.6
150.10439	1.9
151.11165	2.7
153.09109	6.0
157.12862	0.8
158.10913	3.9
159.02901	1.2
159.10204	0.8
159.11548	1.0
161.09669	1.5
161.13292	0.8
163.11176	6.4
163.14839	3.7
165.12740	2.1
167.10674	9.9
173.13266	21.6
176.11928	2.0
185.39377	0.9
189.12778	0.9
191.12500	1.6
191.14308	89.0
209.15372	100.0
231.04951	6.6
249.06174	1.2
299.16449	2.0
439.19547	3.9
457.21146	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	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.7
55.01876	5.8
55.05503	8.7
56.78119	2.0
57.03452	10.4
57.07063	2.5
58.00561	2.0
61.02930	3.5
65.03934	2.1
67.05505	9.5
67.07102	1.8
69.03439	27.2
69.07057	7.0
70.06590	10.6
71.04984	9.7
71.51815	3.0
72.08162	2.1
73.02904	3.4
79.05507	14.1
81.03426	36.0
81.07064	22.6
83.04990	9.5
83.08611	9.0
83.23659	2.1
85.02908	47.6
85.06548	3.7
86.09704	9.2
87.00838	18.3
91.05470	13.7
93.07039	14.9
94.08952	2.2
95.04975	100.0
95.08614	11.2
97.02903	16.1
97.06540	8.5
98.98479	8.0
99.04465	33.4
99.51794	2.2
103.03951	2.8
105.01875	8.0
105.07030	20.1
107.04959	5.7
107.08595	17.0
109.02891	24.1
109.06516	16.4
109.10152	16.8
111.04414	2.5
111.08080	8.2
113.06046	3.2
117.07003	4.8
119.08585	13.2
119.45969	2.1
121.06513	5.6
121.10146	12.0
123.08047	10.5
123.11682	4.1
125.09597	4.1
126.12850	2.5
127.03934	46.2
129.01881	3.1
129.07042	3.7
131.08571	9.8
133.06465	8.4
133.10138	27.9
133.11850	2.1
134.06825	2.3
135.08063	26.0
135.11679	4.5
137.09628	4.3
143.08568	3.4
145.04947	8.0
145.06461	2.7
145.10103	5.1
147.04408	2.5
147.08057	3.6
147.11681	10.7
149.05928	4.0
149.09619	8.8
149.13275	8.5
150.07556	2.2
151.07562	9.3
151.11229	4.4
153.09113	41.2
157.06532	2.3
157.10127	4.9
159.02905	9.3
161.05963	3.3
161.13255	5.0
163.03867	2.8
163.11292	2.5
163.14798	2.2
165.05379	2.8
165.09105	3.9
165.12764	8.0
167.07158	10.2
167.08345	2.7
167.14325	7.1
171.06664	2.3
171.10170	3.1
173.06015	2.5
173.13281	16.8
175.11172	6.2
175.14847	2.8
177.05399	2.7
181.08572	3.2
185.06143	2.1
187.06027	2.6
189.03952	3.6
189.12730	3.5
191.10699	4.4
191.14331	32.2
193.08638	4.7
193.12262	9.3
205.08606	2.7
207.06549	4.3
207.13875	4.2
209.08089	4.9
209.11845	4.2
209.15387	80.2
211.13283	7.2
213.03896	4.0
221.08115	4.7
227.16580	2.9
229.11926	2.7
229.15497	5.1
231.04939	6.3
267.15982	14.0
285.16995	17.1
289.20074	2.0
337.98813	2.3
389.10672	3.8
409.34848	2.2
439.19528	6.9
457.15717	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61402	0.6
53.03946	7.0
54.82254	0.7
55.01874	4.5
55.05507	4.8
57.03438	4.3
57.07065	2.1
61.02921	3.4
65.03937	1.0
67.05514	3.3
68.99783	2.1
69.03432	24.2
69.07070	4.3
69.22749	5.7
70.06569	0.9
71.04993	3.7
73.02924	4.7
79.05495	7.1
81.03420	24.9
81.07056	11.5
83.04971	2.6
83.08598	2.3
85.02908	32.3
85.06545	5.8
87.00314	1.3
87.00832	16.8
87.04462	1.0
91.03943	1.5
91.05472	8.0
93.07043	17.5
95.04977	3.7
95.08603	13.4
97.02895	11.8
97.06522	2.2
97.10178	0.8
98.21584	1.3
99.04465	10.5
99.08096	0.9
101.44220	0.6
103.03912	0.9
105.01870	9.5
105.07034	23.2
107.07880	1.5
107.08595	27.8
109.02883	24.8
109.06522	2.5
109.10172	4.6
111.08074	2.3
115.03931	1.2
117.01855	2.4
117.07028	1.9
119.08588	15.0
120.08105	4.6
121.06552	1.7
121.10138	21.3
123.08066	2.9
123.11713	4.5
125.09637	1.4
127.03922	36.6
128.06110	0.7
129.01823	2.3
129.06937	1.0
131.08577	9.6
133.06580	0.7
133.07613	0.6
133.10133	19.3
135.08044	4.2
135.11720	3.7
137.09621	2.2
139.11108	1.0
143.08545	1.3
145.04959	11.8
145.10118	4.5
147.02876	2.4
147.11707	7.4
149.09636	9.8
149.13240	4.3
151.11180	23.6
153.09106	0.9
158.10901	1.0
159.02890	11.6
161.13249	6.2
163.11203	6.4
163.14830	16.4
165.12816	3.2
173.13281	14.6
175.14847	3.2
177.04062	0.8
179.14331	2.8
181.12219	4.1
187.11346	0.8
189.12769	0.7
191.14311	48.0
193.15869	3.3
207.13841	3.5
209.15372	100.0
210.15729	0.9
213.03929	1.4
231.05014	7.5
231.72562	0.8
287.57858	0.7
429.17426	0.8
439.19452	1.2
457.16449	6.0
457.21884	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	457.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
54.65968	0.9
55.01863	3.2
55.05507	3.0
57.03430	2.1
57.07065	2.8
59.05000	2.2
61.02917	3.3
65.03938	1.4
67.05187	1.0
67.05508	12.4
69.03091	1.5
69.03435	20.4
69.07071	100.0
70.17303	1.6
71.03105	0.8
71.04989	3.4
73.02912	4.1
75.12302	1.2
79.05509	5.9
81.03424	24.5
81.06589	1.7
81.07056	29.0
83.01321	1.0
83.04964	5.3
83.08611	1.7
85.02910	34.3
87.00822	8.0
89.03919	1.7
91.03938	1.1
91.05474	3.6
93.07032	5.7
95.04977	6.4
95.08618	7.3
97.02905	14.0
97.06535	4.0
97.10173	1.0
99.04455	15.5
99.05051	1.8
103.03927	10.4
105.01861	8.0
105.07019	4.0
107.04932	1.6
107.08590	13.1
109.02130	1.6
109.02883	27.8
109.06509	5.7
109.10164	13.9
117.01894	1.0
117.03373	2.5
119.08594	2.9
121.06499	3.9
121.10146	3.7
122.07303	1.7
123.08095	7.9
123.11713	42.0
127.03922	46.2
133.10115	2.9
135.04475	5.3
135.08054	12.0
135.11661	1.8
137.09608	1.6
143.08408	1.2
145.04971	17.0
145.10178	1.2
147.02904	1.6
147.11703	1.9
148.08859	1.3
149.09644	2.1
151.11189	74.4
155.48650	0.9
157.10107	1.1
159.02901	8.6
159.11664	1.6
161.09628	1.2
163.03903	17.5
165.09129	3.4
165.12737	7.7
169.05031	2.1
175.14911	1.3
187.06102	1.7
191.06969	1.1
191.14316	33.0
193.15855	2.4
205.12125	1.0
207.13800	1.8
209.08205	1.1
209.15363	5.6
231.04971	6.1
235.05930	1.3
271.08188	1.2
277.21368	1.2
295.15414	3.5
313.16400	3.1
355.17654	1.2
377.15799	1.2
383.21487	1.3
395.17068	1.8
413.17871	1.5
452.59467	1.1
457.10425	1.2
457.20621	21.8
457.25900	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.05525	1.7
67.05488	3.5
69.03425	6.9
69.07063	2.7
69.39080	12.0
78.53998	1.4
79.05492	6.6
79.25043	1.5
81.07051	6.5
83.04974	2.7
85.02903	2.9
87.00816	1.7
88.43478	1.4
91.05468	4.8
93.07076	4.0
95.04945	3.1
95.08591	2.3
105.07060	8.6
107.04938	2.7
107.08588	15.6
109.02891	3.1
109.06552	3.8
109.10154	6.9
119.08572	4.9
121.10160	11.5
122.07288	2.8
123.08065	2.7
127.03977	3.0
131.08598	2.2
133.06494	7.5
133.10138	100.0
134.06834	2.6
135.08054	7.7
137.09624	43.6
145.04955	2.2
147.11703	2.2
149.13240	9.1
158.10989	1.6
163.14799	2.0
173.13295	5.0
191.14316	57.2
192.14671	3.2
209.15352	8.5
239.26195	1.5
253.39865	1.5
457.16809	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	457.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.6
59.81122	0.8
60.59018	0.8
61.40895	0.7
66.74760	0.8
67.05499	2.7
69.03436	5.9
69.07080	0.9
70.10310	1.7
70.10698	1.9
79.05508	4.9
81.03418	1.2
81.07076	5.2
83.05003	2.0
83.08582	1.0
85.02895	3.0
87.00851	1.8
91.05464	4.0
93.07039	3.4
95.04984	1.2
95.08600	0.9
99.04499	1.0
105.01888	1.6
105.07049	6.4
107.04953	3.1
107.08595	15.0
109.02904	1.4
109.06538	4.1
109.10168	5.8
117.06983	1.7
118.07854	1.0
118.10091	0.8
119.08580	3.3
121.06486	1.5
121.10151	9.7
122.07305	5.9
123.08105	2.0
127.03900	3.7
131.08536	1.9
133.10139	100.0
135.08090	7.5
135.11652	2.1
137.09621	55.5
145.05048	0.9
145.10101	1.6
147.11694	2.1
149.09671	1.6
149.13251	9.3
163.14828	2.4
173.13222	5.1
191.14320	61.8
192.14752	0.9
198.98529	0.8
207.09518	0.8
209.15408	3.6
231.04901	1.5
262.58374	0.9
439.20221	1.0
445.58228	0.9
457.46091	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2351
Annotation	CHEBI:78175
Peak:m/z	Relative Intensity
50.90417	1.5
53.03941	3.4
55.01870	3.2
55.05513	18.2
57.03438	10.7
57.07080	2.8
61.64820	1.4
62.22501	1.5
63.40958	1.5
64.97931	1.7
65.03931	3.0
67.05180	2.9
67.05508	38.8
69.07076	13.2
69.99517	1.7
71.04986	3.2
71.53745	2.2
75.04458	2.2
79.05497	31.1
81.06591	2.9
81.07057	44.6
83.04970	2.6
83.08617	8.4
85.06541	3.2
91.05483	38.8
93.07050	39.7
95.04959	6.4
95.08607	30.8
97.06528	4.1
97.10158	3.1
98.98470	98.9
99.08110	2.4
103.05467	1.8
105.07036	42.3
107.08590	29.6
109.06564	2.8
109.10152	12.4
116.99531	2.1
117.07022	29.6
119.08591	46.7
120.96640	2.2
121.10144	20.5
122.98431	2.7
123.08070	2.6
123.11701	6.0
128.06261	3.0
129.05501	2.7
129.07018	9.9
130.07813	3.0
131.08569	47.6
133.10139	29.3
135.08096	2.6
135.11705	16.7
137.13237	3.1
140.99480	53.6
141.06998	4.5
142.07808	4.6
143.08574	10.8
144.09288	3.9
145.10129	43.0
147.11685	22.8
149.09641	3.7
149.13300	9.0
153.12750	1.7
155.01022	11.5
155.08589	4.7
157.10126	10.7
158.10982	2.1
159.11707	36.6
161.09653	2.1
161.13271	18.1
163.14838	6.1
169.10164	5.0
171.11702	8.1
173.02129	17.0
173.09631	2.1
173.13287	27.2
175.14844	8.8
177.16457	2.2
183.11723	5.4
184.07213	1.7
185.13254	11.4
186.14267	1.8
187.11229	3.3
187.14807	22.1
189.12856	2.2
189.16307	2.1
191.14413	3.1
197.02121	46.9
197.13257	5.7
199.14813	7.2
201.12715	2.4
201.16431	11.0
211.14832	5.2
213.16380	4.3
215.14359	4.0
215.17874	1.7
216.45886	1.8
225.16486	4.0
229.15839	2.6
241.19453	2.7
243.21115	11.9
257.22729	6.6
261.22083	22.1
267.21027	16.3
276.78348	2.3
285.22116	76.6
301.14304	1.7
301.21729	2.9
303.20053	2.9
303.23203	33.3
315.23199	3.0
341.24698	7.9
359.25848	42.2
377.26895	17.0
439.22437	11.4
454.45804	1.9
457.23486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.6
55.05510	6.5
57.03439	1.0
57.07076	2.2
59.04988	1.9
67.05511	14.1
69.03144	0.8
69.03439	9.2
69.07076	12.3
69.25813	7.7
70.36078	0.8
71.04980	3.3
71.08609	1.1
73.06530	0.8
77.62843	0.8
79.05499	3.9
80.85562	0.8
81.03409	3.2
81.07058	17.1
83.04980	8.4
83.08614	6.4
85.02898	9.2
85.06539	3.3
85.93365	0.9
87.00822	3.3
91.05463	3.1
93.07044	8.2
95.04967	1.8
95.08613	30.4
97.02907	3.5
97.06540	1.7
97.10186	1.2
98.20793	1.8
99.08071	2.4
101.43327	0.8
102.52827	0.8
105.01862	2.9
105.07031	6.3
107.08604	20.0
109.02872	2.5
109.06522	7.9
109.10163	90.9
111.08068	2.7
113.09629	1.6
119.08591	39.4
121.10150	12.6
123.08089	12.4
123.11706	7.1
125.09579	1.0
125.21902	1.0
127.03922	5.2
127.04691	1.0
133.10139	21.6
135.11702	100.0
137.09628	15.6
139.11211	2.2
145.04953	2.3
147.11664	1.6
149.13275	6.5
151.11188	9.5
151.14833	11.1
153.12747	3.8
159.02882	1.8
165.12814	0.9
165.16396	2.7
175.14833	49.2
193.14008	1.4
193.15895	74.7
211.16948	79.1
321.57776	0.8
342.97180	0.9
388.92044	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69883	1.1
53.03941	1.6
53.87473	1.1
55.05503	5.7
57.07059	3.2
57.60447	1.2
63.12029	1.3
67.05504	12.1
69.03433	6.3
69.07069	9.4
71.04989	2.8
72.68764	1.1
79.02043	1.2
79.05500	2.0
81.03421	2.8
81.07056	14.8
82.28648	1.1
83.04994	7.6
83.08611	5.8
85.02898	7.8
85.06504	2.0
87.00826	1.3
91.05484	1.8
93.07047	5.9
95.08615	24.1
97.02887	2.3
97.06550	1.2
97.10200	1.6
98.21569	3.7
99.08092	3.6
105.07018	5.2
107.08599	14.3
109.02859	2.4
109.06544	6.8
109.10160	78.9
111.08088	3.8
113.09685	2.0
119.08591	28.2
121.10152	8.1
123.08076	10.0
123.11737	8.5
125.09575	1.2
127.03902	4.5
133.10139	16.4
135.11694	65.6
137.09601	12.4
139.11183	1.4
145.04883	1.8
149.13245	4.0
151.11226	6.4
151.14864	9.4
153.12720	1.6
165.16380	3.3
175.14832	32.6
193.15891	45.1
193.17667	2.5
211.16931	100.0
212.17310	1.1
242.83189	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.4
55.01876	4.6
55.05511	17.5
57.03437	4.3
57.97961	1.8
67.05507	19.1
69.03436	12.7
69.07074	9.5
69.31140	5.0
69.31561	11.8
70.06591	5.2
71.04970	3.5
72.08163	40.8
79.05485	6.0
81.03419	13.0
81.07068	19.3
83.04993	12.1
83.08601	3.0
84.04524	2.8
84.08127	4.6
85.02515	2.1
85.02911	21.6
85.06558	14.5
86.09715	39.1
87.00836	9.5
87.04456	4.0
89.05493	3.2
89.06036	36.7
91.04974	1.9
91.05479	12.7
93.07061	23.5
95.04976	10.7
95.08597	18.1
97.02885	9.2
97.06520	4.3
99.04449	4.8
99.08101	31.4
102.05495	2.7
102.49577	1.9
103.03971	2.1
105.01866	6.9
105.07044	14.8
107.08620	31.0
109.02876	8.3
109.06512	3.8
109.10168	30.3
111.08082	2.9
115.55764	2.0
117.06979	3.7
119.07813	2.5
119.08598	25.0
121.10136	14.6
123.08065	3.1
123.11697	11.7
125.09617	3.0
127.03935	18.9
131.08527	3.5
133.08635	20.5
133.10139	49.0
135.08046	2.5
135.11703	33.0
137.06052	4.8
137.09633	28.3
145.04971	5.1
145.10085	4.5
147.11667	6.7
148.05972	2.8
149.09621	2.8
149.13251	18.5
151.14828	2.5
154.08600	3.3
171.11626	3.0
173.13274	3.5
175.14827	33.3
177.11171	6.9
177.16402	4.3
185.16452	7.1
191.14319	3.0
193.04938	4.2
193.15892	100.0
199.14421	4.0
199.18016	3.6
201.12321	3.6
203.14253	3.0
209.15456	2.4
211.13261	2.5
211.16948	33.8
213.16010	7.2
227.17647	4.3
229.11856	6.4
231.04845	2.8
231.16978	4.2
233.11310	2.6
243.52577	1.9
247.12868	7.3
261.14624	4.8
304.76611	2.2
423.20178	4.1
424.09143	2.4
459.17889	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	459.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.8
55.01859	5.4
55.05516	13.3
57.03428	6.0
57.07084	1.7
59.05011	2.0
61.01152	2.3
61.02942	2.5
61.62791	1.4
67.05508	20.7
67.80287	1.5
68.99780	3.1
69.03437	14.8
69.07072	7.3
70.06593	4.1
71.04982	5.7
71.51398	1.5
72.08165	15.1
73.02908	3.0
79.05492	9.6
81.03426	15.4
81.07068	23.6
83.04986	17.1
83.08617	2.9
84.04513	2.1
85.02916	30.8
85.06554	7.4
86.06042	1.6
86.09716	14.7
87.00839	11.9
89.00594	2.3
89.06055	1.9
91.05486	17.4
91.22633	1.4
93.07046	24.7
93.42539	1.7
95.04977	31.7
95.08624	27.2
97.02895	12.9
97.06545	5.0
99.04457	7.1
99.08105	85.1
101.06002	2.1
103.03953	4.4
105.01874	9.3
105.07028	21.0
107.04951	2.6
107.08603	23.1
109.02894	8.8
109.06497	4.8
109.10166	46.4
111.04466	1.5
111.08073	3.3
113.06005	1.5
115.03767	1.7
115.05434	1.8
117.07043	5.0
119.08594	40.8
121.06480	2.9
121.10172	13.2
123.08067	5.3
123.11703	4.8
125.09679	2.3
127.03947	19.3
127.07549	1.7
129.01859	1.9
129.07005	2.4
131.08562	6.3
133.06506	1.9
133.10144	100.0
135.08067	6.7
135.11694	25.5
137.05916	2.2
137.09624	51.9
143.08549	3.5
145.04976	7.2
145.06459	2.6
145.10127	5.2
147.04381	2.1
147.09135	2.5
147.11647	6.8
149.05899	2.2
149.09589	3.8
149.13271	5.7
151.11153	2.2
155.10681	14.6
157.10115	4.1
159.02884	4.6
161.09550	2.0
161.13269	3.1
163.08707	3.0
165.16318	2.4
169.10109	2.0
173.13235	4.1
175.08682	6.8
175.11191	3.4
175.14851	40.2
176.96962	2.2
177.16447	2.0
183.11754	2.1
185.16412	3.4
189.03976	1.7
191.07103	1.9
193.12215	5.9
193.15897	97.0
197.13332	2.1
199.14816	1.7
205.15829	1.8
211.16956	74.3
215.14128	2.2
217.04968	2.2
231.04977	2.2
231.16942	1.5
232.07028	1.8
235.17018	2.0
243.13716	1.5
245.11668	2.2
247.12894	2.3
249.15016	2.0
261.14816	2.8
263.12720	2.2
297.14459	9.4
301.17999	2.2
339.07529	1.7
367.13806	4.6
385.14923	4.7
405.18893	2.2
415.19064	2.4
423.20636	3.4
424.09732	7.2
441.21188	7.2
459.18033	10.8
459.23874	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88535	2.6
53.03945	6.2
55.01867	3.2
55.05506	15.1
57.03437	5.6
62.33271	2.5
67.05511	18.9
69.03433	24.4
69.07063	19.2
69.66819	17.9
70.06586	5.1
71.04985	6.4
72.08153	6.4
77.03949	2.9
79.05520	14.8
81.03418	26.5
81.07067	34.5
83.04983	13.8
83.08616	9.8
84.04504	4.8
85.02918	49.6
85.06535	5.4
86.09696	11.3
87.00826	22.0
91.05483	10.7
91.62973	3.3
93.07050	23.0
95.04953	12.4
95.08620	36.6
97.02895	17.8
97.06532	6.6
97.10159	3.7
98.20795	3.4
99.04464	14.9
99.08099	26.8
103.03951	9.2
105.01874	22.1
105.07034	17.0
107.04952	4.5
107.08591	27.7
109.02882	19.5
109.06519	11.5
109.10167	100.0
111.08062	8.2
113.58640	2.7
119.08586	40.1
121.10133	17.9
123.08061	14.2
123.11720	17.5
125.09587	3.1
127.03922	51.0
129.01859	3.1
133.10139	44.1
135.07976	3.4
135.11700	80.7
137.09636	28.6
145.04961	11.7
147.08130	3.8
147.09172	11.2
147.11716	5.4
149.13228	7.1
151.11157	10.7
151.14838	8.1
153.12706	8.2
162.07930	3.3
163.08685	13.0
165.16412	4.1
171.85446	2.8
175.08713	32.5
175.14853	49.5
193.12326	3.9
193.15906	75.7
193.17671	4.2
205.09792	4.0
211.16933	81.1
213.03838	4.5
228.27472	2.7
231.05099	4.5
249.06105	3.6
265.69339	2.9
279.13351	8.2
297.14447	52.9
302.54953	2.9
442.18344	3.7
459.17834	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	459.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.2
55.05511	10.5
57.03437	6.0
57.07073	4.9
58.23156	0.8
58.84911	0.8
64.97971	1.3
67.05505	38.0
69.07072	9.4
70.13896	2.4
70.14281	1.9
71.08635	1.5
76.46577	0.8
79.05498	15.2
81.07057	42.5
82.99022	1.3
83.04982	0.9
83.08617	7.5
85.06558	1.8
91.05479	11.1
93.07046	15.8
95.04981	2.5
95.08609	35.3
97.06527	2.2
97.10158	3.9
98.20831	1.1
98.98468	25.6
99.08095	2.2
105.07033	10.3
107.08596	9.4
109.06471	1.0
109.10163	15.2
111.08096	1.9
113.09634	1.3
116.03613	0.8
117.07007	1.6
119.08571	10.9
121.10148	8.1
122.98432	5.2
123.11726	7.3
125.09645	1.9
125.34155	0.9
127.11147	1.2
129.07004	1.0
131.08578	3.7
133.10146	8.4
134.40822	0.8
135.11696	4.4
137.13289	3.5
140.99480	82.8
143.08524	1.4
145.10149	2.4
147.11710	4.1
148.83395	0.8
149.13264	3.8
151.14796	1.7
155.01022	8.3
159.11720	1.7
161.13284	6.5
163.14859	4.4
165.16420	1.8
171.11658	1.6
172.82874	0.9
173.02113	1.0
173.13269	1.4
175.14839	4.5
177.16403	1.0
187.14813	1.2
189.16437	3.6
197.02110	100.0
199.14828	0.9
203.17932	1.0
215.14336	1.0
245.22633	12.4
261.22275	1.3
263.23706	20.9
269.22675	1.4
287.23648	9.1
300.52765	0.9
305.24835	3.4
361.27371	1.9
441.23837	1.5
459.25101	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	460.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.0
55.01876	8.9
55.05498	2.2
57.03437	5.3
60.04523	1.0
61.02924	5.6
67.05495	1.8
68.99774	2.7
69.03431	24.2
69.07079	0.8
70.06587	1.7
70.23336	2.4
71.01363	0.9
71.04993	4.4
72.08156	0.9
73.02919	6.9
79.05487	2.4
80.05037	0.6
80.17715	0.7
81.02939	1.5
81.03418	26.6
81.07050	1.4
83.01340	1.0
83.08588	1.0
84.04501	1.3
85.02907	71.7
87.00829	31.6
87.04462	1.0
91.03966	1.5
91.05477	4.1
93.07042	1.5
95.04959	1.3
95.08607	1.0
97.02897	29.6
97.06518	0.8
97.10220	0.9
98.06048	1.7
98.21391	0.7
99.03865	0.9
99.04464	14.5
100.11262	0.7
101.02334	0.8
102.05542	0.7
103.03936	2.7
103.05473	5.1
105.01868	26.0
105.07026	3.3
105.14372	0.7
107.04954	7.4
107.08600	0.8
108.04474	8.5
109.02132	1.4
109.02882	29.4
109.10162	1.0
115.03945	0.8
115.05465	1.0
117.01857	4.4
117.07021	1.2
119.04920	0.7
119.08585	23.1
121.06508	1.2
121.10151	1.1
126.05534	4.3
127.03922	52.0
129.01845	4.2
130.04993	1.2
131.04921	1.2
131.08614	0.8
133.06512	1.1
133.10049	0.8
135.08043	6.1
136.06169	0.9
139.03955	3.4
144.06541	1.1
145.04965	26.4
147.02882	2.1
154.06247	26.0
159.02887	17.8
162.36578	0.6
163.06154	1.2
163.07542	23.0
165.09001	0.8
167.07036	1.6
177.03951	1.0
180.07860	1.5
189.04005	1.3
195.10172	100.0
196.10535	0.9
199.59334	0.7
207.10173	0.9
211.16925	0.9
212.05511	0.8
212.17209	0.8
213.03943	2.0
219.10089	0.9
225.65601	0.8
227.10580	1.0
230.06561	3.1
231.04997	12.6
248.07675	6.4
249.06088	1.4
266.08743	1.8
303.12286	1.6
350.21906	0.7
460.27524	3.1
476.38077	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.0
55.01871	8.1
55.05508	1.8
57.03450	4.2
60.04515	1.2
60.11399	0.6
61.02930	5.3
67.05496	2.2
68.99780	3.3
69.03432	23.9
70.24339	0.7
71.04980	2.9
73.02917	6.8
79.05488	2.4
80.05034	1.2
81.03423	26.0
81.07049	1.5
83.01347	1.6
83.04980	1.7
84.48341	0.6
85.02907	68.3
87.00311	1.4
87.00830	27.2
87.04459	1.0
91.03941	1.6
91.05472	2.4
91.46066	0.7
93.07050	1.8
95.04951	2.1
95.08587	0.7
97.02896	29.7
97.06535	1.1
98.06065	0.9
99.04459	11.8
103.03921	1.0
103.05470	1.2
105.01867	21.5
105.07029	3.4
107.04956	31.1
107.08558	1.4
108.04490	7.1
109.02885	28.2
109.10156	1.0
115.03988	1.0
115.05437	2.1
117.01862	4.7
117.06993	0.9
121.06520	0.9
121.10178	0.8
123.04379	0.9
123.08066	0.9
125.06006	1.3
126.05490	3.5
127.03918	47.2
129.01859	3.4
131.08568	1.2
135.08058	10.4
141.01814	0.7
145.04962	22.7
147.02922	3.3
147.04384	0.7
149.06023	0.7
159.02898	14.7
159.08075	0.9
163.07549	36.2
167.07039	12.5
180.07809	1.0
181.04948	1.1
187.07492	1.7
189.03940	3.1
195.10175	100.0
205.08633	1.4
207.10133	4.2
212.05598	0.9
213.03935	2.0
219.10237	2.2
221.11691	0.8
229.38449	0.9
230.06613	3.5
231.04976	9.0
237.11165	2.1
248.07652	5.4
249.06097	0.9
266.08698	1.4
275.12643	1.1
285.11386	1.6
298.19092	0.8
303.12302	3.3
368.23120	1.5
460.28360	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	460.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	8.0
57.05817	1.1
57.93937	0.6
58.56397	0.6
64.87874	0.6
71.51002	0.8
72.08161	100.0
85.02921	2.6
88.68549	0.6
97.02943	1.0
109.02863	0.8
114.89386	0.8
116.89162	2.9
118.08665	82.4
123.97939	0.6
127.03962	2.5
127.18034	0.6
145.05003	1.8
161.65126	0.8
183.21330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
55.01866	3.6
55.05515	43.5
56.05018	5.4
56.05831	1.5
57.03436	2.2
57.07060	5.4
59.04988	1.7
59.59637	1.2
63.53988	1.5
65.03943	1.7
67.05508	23.0
69.03431	15.9
69.07073	68.3
70.06589	3.0
70.42881	5.1
71.04980	5.6
71.55914	1.4
79.05502	13.0
79.32732	1.3
81.03420	9.5
81.06602	2.1
81.07063	38.1
82.03757	3.1
83.04971	5.7
83.08631	8.1
83.09042	1.6
84.04511	100.0
85.02890	3.2
85.06536	2.5
91.05482	8.0
93.07047	25.8
95.04960	6.2
95.08616	43.7
97.06561	11.1
97.10176	60.9
99.08075	1.6
102.04865	2.7
102.05548	54.2
105.07052	10.9
107.08601	16.7
109.06454	3.4
109.10169	46.1
111.11720	21.0
113.08900	2.7
113.09655	37.6
117.07069	2.4
119.08594	11.2
121.09335	2.4
121.10147	27.2
123.08066	6.1
123.11720	11.7
125.09663	7.9
127.04025	1.7
130.05005	43.3
131.08542	1.8
133.10139	11.1
133.34503	1.7
135.08037	2.3
135.11702	9.9
136.06125	2.7
137.09613	19.7
138.12767	4.6
139.11186	63.9
145.06441	2.2
145.10133	3.8
147.11688	6.8
148.06058	55.1
148.17250	1.7
149.09547	2.0
149.13261	2.5
151.11229	10.2
153.12718	5.3
157.10155	3.7
157.12238	20.6
159.11703	2.6
161.13249	6.8
163.14749	2.5
165.09085	3.9
167.14322	6.7
175.14841	3.1
179.10651	1.8
179.14326	3.5
184.13335	4.8
185.13240	2.3
193.12196	2.7
194.12592	2.7
201.16426	1.7
203.12700	9.0
206.13029	1.5
231.20978	3.8
240.16022	2.3
241.19521	2.1
247.69934	1.6
249.22115	15.0
259.20609	7.1
267.23151	4.9
268.15469	16.3
277.21640	40.3
277.24615	2.0
286.16464	24.1
295.22681	34.6
314.16125	10.0
368.23312	3.6
378.26373	12.3
386.24194	2.4
396.27448	3.6
406.25708	13.6
424.26959	68.8
442.28174	18.4
460.27982	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	460.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.01867	2.0
55.05511	54.6
56.05029	4.2
56.80143	1.6
57.03424	4.0
57.07059	5.6
67.05506	23.7
69.03423	18.1
69.07067	63.9
69.77810	1.6
70.06562	2.5
70.07390	2.1
70.11768	7.4
70.88487	1.6
71.04971	4.0
71.08621	1.7
79.05496	13.8
79.96159	1.8
80.05833	2.2
81.03426	11.2
81.07052	38.6
82.03730	2.1
83.04980	6.1
83.08624	10.2
84.04504	100.0
85.02895	3.2
85.06531	3.5
86.09700	2.4
91.05493	9.8
93.07040	26.8
95.04964	6.5
95.08613	42.1
97.06523	15.4
97.09554	3.3
97.10173	63.3
99.04435	2.0
99.08095	2.7
100.11239	2.1
102.05547	57.6
105.07014	12.1
107.08611	18.4
109.06507	5.0
109.10152	43.7
111.04374	1.7
111.08097	3.1
111.11160	1.6
111.11732	16.9
113.08894	3.5
113.09645	45.2
115.11239	3.0
119.08573	11.0
119.18050	1.7
121.10146	26.7
123.08053	5.4
123.11678	12.6
125.09596	5.1
127.03934	1.7
127.11258	1.9
129.07002	2.7
130.04048	3.5
130.05005	54.7
131.08560	3.3
133.10161	11.4
135.08107	2.1
135.11665	9.0
136.06165	3.1
137.09634	19.6
137.31895	2.1
138.12769	3.7
139.11180	61.2
141.12741	1.9
143.08540	2.3
145.06459	3.0
145.10112	3.7
147.08107	1.7
147.11703	4.0
148.06055	57.0
149.13274	1.8
151.11189	8.6
153.12712	7.0
155.08485	2.1
157.10101	3.6
157.12234	20.4
159.11656	2.4
161.05983	1.8
161.13243	6.4
163.03856	2.5
163.11192	1.7
163.14774	2.9
165.12709	2.1
167.14301	3.9
171.11697	2.4
175.14752	1.9
179.14275	3.2
181.12285	3.3
184.13312	6.4
189.12679	2.6
193.12279	4.1
194.12613	3.2
203.12766	11.6
231.21031	4.1
240.16022	2.6
241.19328	1.8
249.22101	11.8
259.20505	8.9
267.23105	3.7
268.15399	17.5
277.21631	42.1
286.16476	21.8
295.22668	31.5
314.15952	14.1
319.09439	2.0
328.17545	3.1
330.19196	2.3
368.22913	4.9
378.26453	8.7
386.24057	4.8
396.27295	4.7
406.25839	13.4
416.24203	3.0
424.26971	73.7
442.23178	1.8
442.28024	17.1
460.27893	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	461.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.01866	1.9
55.05518	6.3
57.03426	1.4
57.07088	1.2
61.02930	1.2
66.40749	0.9
67.05502	3.3
69.03436	7.4
69.07076	8.9
69.46376	5.0
69.46786	1.9
70.39899	0.8
71.04974	1.0
73.02873	1.1
75.66879	0.8
79.05502	3.6
81.03414	4.9
81.07063	10.6
83.04932	1.5
83.08622	6.6
85.02910	15.3
85.06577	2.2
87.00816	7.6
91.05483	2.7
93.07043	11.9
95.05003	1.4
95.08613	25.2
97.02896	5.5
97.06528	1.0
97.10182	3.4
99.04445	1.9
99.08080	9.9
105.01854	8.0
105.07046	2.9
107.08598	25.7
109.02882	3.9
109.10175	7.9
111.08083	5.8
113.09653	1.0
119.08605	1.8
121.10150	46.5
123.11720	2.4
125.09641	6.0
127.03922	10.1
135.11688	10.7
137.13300	6.0
139.11212	1.8
141.30438	0.8
145.04985	3.0
149.09238	0.9
149.13258	3.5
159.02873	1.6
177.16397	100.0
195.17456	21.4
213.18507	22.3
224.69395	0.9
231.04968	2.7
249.06165	1.6
326.10254	1.1
460.71909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.6
55.01867	11.5
55.05517	26.3
56.96564	4.5
57.03423	12.5
57.03685	3.1
57.07061	4.6
61.02922	4.9
63.48812	2.9
67.05495	21.5
68.99797	4.7
69.03076	5.7
69.03436	54.0
69.07070	35.9
70.03722	4.1
71.04971	16.0
71.24831	4.8
71.25163	4.2
72.66479	3.0
73.02911	12.6
73.98479	3.4
75.76173	3.6
78.64613	3.4
79.05516	15.5
81.03422	46.6
81.07057	38.8
83.04981	18.8
83.08595	13.5
84.08120	3.3
85.02911	100.0
85.06562	15.7
86.09700	5.8
87.00835	32.7
91.05462	13.3
93.07044	19.5
95.04947	9.7
95.08611	45.0
97.02900	27.6
97.06532	9.4
97.10171	8.9
98.09666	3.5
99.04468	20.9
99.08102	27.6
100.11251	11.8
103.03916	6.8
105.01872	25.5
105.07014	8.7
107.04985	4.1
107.08594	38.0
109.02883	51.1
109.10147	26.9
111.04436	5.5
111.07995	4.0
111.11744	7.0
113.09628	8.2
119.04941	5.1
119.08562	18.2
120.08907	4.0
121.06519	4.6
121.10143	26.1
122.52898	3.5
123.08083	4.6
123.11743	8.8
125.09616	7.8
127.03927	79.4
129.01802	8.1
129.07011	4.6
131.08556	6.1
133.10133	7.7
135.08081	5.8
135.11710	22.0
136.12000	3.8
137.13248	12.4
139.11147	5.4
140.46895	3.2
141.06932	3.2
141.11551	3.2
145.02814	6.5
145.04965	30.4
145.06126	4.0
145.06514	3.9
145.10179	7.8
147.04456	18.0
147.07961	4.4
147.11679	4.0
151.14806	6.7
153.12778	18.4
159.02911	23.5
161.09607	3.6
161.51015	3.7
163.06012	6.8
167.06944	5.2
171.11530	4.5
173.09515	4.0
177.05464	10.6
177.16409	54.7
183.11670	4.7
193.15942	3.7
195.17477	63.5
211.16882	6.5
213.18517	71.8
217.08615	6.6
231.04973	16.9
233.15044	5.1
241.88475	3.7
249.06046	3.5
255.19421	3.5
259.52347	3.4
271.20712	3.0
281.18964	5.0
299.20029	7.7
317.21188	4.1
339.13849	4.5
389.29669	3.3
443.23584	4.3
461.19366	9.8
461.24161	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	461.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58496	0.9
53.03939	2.9
55.01880	1.6
55.05509	8.9
57.03441	5.1
57.07095	1.1
61.02933	1.4
65.03934	1.9
66.10639	0.8
67.05502	22.6
69.03428	2.9
69.07066	6.5
69.45937	0.7
69.46254	6.4
70.06611	1.0
71.01377	0.9
71.04980	1.1
79.05492	26.6
81.03410	7.2
81.07054	19.8
83.04976	7.1
83.08613	4.7
85.02918	2.4
85.06541	2.2
87.04445	0.9
87.85566	0.8
91.05479	21.8
93.06487	1.9
93.07047	26.1
95.04966	9.3
95.08608	14.6
97.02875	1.9
97.06535	4.7
97.10160	3.1
99.08047	0.9
100.11272	2.6
105.07030	18.2
107.04951	2.1
107.08583	10.7
109.02891	2.3
109.06517	3.8
109.10156	6.2
111.04415	0.9
111.08108	1.7
117.07011	3.4
119.08575	12.9
121.06514	2.8
121.10107	4.7
123.08077	3.4
123.11687	2.0
125.05987	1.0
125.09621	1.8
127.03907	1.5
129.06993	6.3
131.08585	3.0
133.10141	6.6
135.04411	0.9
135.08067	1.8
135.11710	3.0
137.09622	2.2
142.08641	1.0
143.08588	5.6
145.06476	1.8
145.10152	6.4
145.91064	0.9
147.08055	1.6
147.11682	13.8
149.09637	1.4
151.07552	9.1
157.10127	2.3
159.08107	1.0
159.11688	2.7
161.09605	1.9
161.13257	6.9
163.03831	1.2
165.09126	12.5
171.11684	11.3
173.05931	1.4
173.09755	0.8
173.13295	1.9
175.11205	1.4
177.09131	3.0
177.12704	1.0
182.15375	1.9
183.11700	1.7
185.13272	2.5
187.14877	1.1
189.12776	4.7
191.10689	6.9
199.14894	1.7
205.12265	4.4
207.13802	9.5
209.03709	0.9
210.14944	2.0
211.15044	1.2
213.16417	1.3
269.19672	1.0
269.22726	3.2
270.23434	1.2
271.20569	2.3
281.17468	100.0
282.18042	1.1
287.23666	1.8
299.20035	2.8
324.41168	0.9
425.23300	2.5
443.24207	2.7
461.27673	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	461.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01868	4.6
55.05511	31.8
57.03443	12.5
65.03940	3.6
67.05510	60.8
69.07076	23.9
70.25198	2.8
70.25546	8.4
71.05002	6.3
74.58322	2.3
79.05493	50.8
79.05918	4.5
80.54966	2.6
81.03400	3.5
81.07058	59.2
83.04991	4.5
83.08611	23.9
85.06509	4.9
91.05486	71.2
93.07048	60.3
95.04967	12.7
95.08626	37.3
97.06546	8.6
97.10179	6.6
97.24419	2.1
99.08109	3.7
103.05508	3.9
105.07036	65.0
105.07691	4.2
107.04962	9.0
107.08600	20.8
109.06571	6.3
109.10152	12.1
111.08106	5.6
115.05476	8.7
117.07027	48.2
119.04934	6.2
119.08585	32.9
121.06536	10.8
121.10154	14.9
123.08069	6.3
123.11835	2.3
125.09641	4.8
128.06207	14.5
129.07013	50.5
130.07863	2.9
131.08578	69.9
133.06517	10.5
133.10115	20.5
135.08032	4.8
135.11702	10.6
137.09665	2.7
139.11261	4.0
141.06995	26.9
141.07851	2.6
142.07832	6.9
143.08562	45.0
145.06517	14.1
145.10136	28.7
147.08066	9.7
147.11722	7.9
149.09659	5.9
149.13303	3.2
153.07021	2.2
154.07823	4.5
155.08542	35.4
157.06490	4.3
157.10135	24.0
159.08080	6.3
159.11647	12.6
161.09651	5.1
161.13266	3.2
163.11252	2.6
165.07066	4.8
167.08571	13.9
168.09398	4.0
169.10089	20.0
171.08102	2.8
171.11684	16.6
173.09631	4.3
173.11862	3.5
173.13322	6.4
175.11211	3.9
177.12778	6.3
179.08618	6.6
181.10100	17.1
183.11697	13.9
185.09679	3.6
185.13289	11.3
187.11227	6.5
187.14847	4.3
189.12836	4.4
193.10252	5.3
195.11687	18.0
197.13309	13.5
199.11124	3.5
199.14886	6.8
203.14394	5.5
207.11766	7.6
209.13202	12.3
211.11258	2.8
211.14833	6.1
213.12885	3.7
215.14424	11.3
217.15990	3.7
221.13205	12.9
223.14824	12.1
225.16495	5.7
229.14276	3.9
233.13329	3.5
233.15421	3.2
235.14955	8.1
237.16322	3.9
239.14418	9.8
249.16676	3.5
253.15991	6.9
257.15442	5.7
259.17197	4.6
267.17505	3.5
271.17001	9.5
275.16586	3.6
283.16928	3.1
285.18195	2.9
315.20972	2.8
323.23584	13.8
333.22122	20.6
341.24786	14.0
351.23184	60.8
359.26242	3.8
369.24255	48.3
387.25275	22.8
404.23965	2.7
407.26010	3.1
415.28235	5.7
425.26904	6.2
443.27963	100.0
461.29129	83.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46990	2.3
53.03936	3.3
55.01886	3.4
55.05517	44.8
56.05034	4.0
56.96550	2.7
57.03449	3.5
57.07072	10.3
57.24600	2.7
61.02932	2.7
67.05511	31.9
69.03430	13.7
69.07076	63.6
69.58121	2.4
71.05005	6.7
71.08634	3.1
71.52140	4.0
72.22412	2.6
73.85011	2.7
79.05486	15.5
81.03423	8.2
81.07061	100.0
83.04993	5.8
83.08625	12.9
84.04513	95.2
84.72839	2.5
85.02908	16.8
85.06545	6.9
86.03264	3.2
86.09740	2.4
87.00889	2.8
91.05495	9.6
93.07049	31.3
95.04962	5.6
95.08612	64.9
97.02898	7.3
97.06542	9.5
97.10178	32.3
99.04463	2.6
100.11263	4.0
102.05549	57.4
105.01938	2.7
105.07042	9.1
107.04960	6.4
107.08607	31.9
109.02861	4.7
109.06511	2.5
109.10162	45.0
111.08044	2.8
111.11739	8.6
113.09632	4.4
119.08608	9.3
121.10145	27.3
123.08103	4.5
123.11714	79.8
125.09617	5.6
127.03926	9.1
130.05011	62.6
131.08591	7.1
133.10178	9.3
135.11691	15.4
136.06187	2.8
137.13300	9.9
139.11179	13.9
141.12819	2.9
145.04999	3.8
145.10112	7.6
147.04456	3.2
147.11711	8.4
148.06065	96.6
149.13249	8.9
151.11159	5.4
151.14871	2.4
153.12744	6.1
159.11739	7.3
161.13251	4.7
163.03966	3.0
163.07574	4.9
163.11259	3.3
163.14825	11.3
167.10641	2.9
169.12199	2.7
172.08678	2.9
173.13193	4.0
177.16428	3.4
187.14830	2.6
189.16275	2.7
195.10229	7.9
195.17528	4.2
196.10623	5.2
197.10623	3.1
203.17789	2.9
223.17154	3.0
233.22676	4.5
243.21138	7.7
245.97980	3.1
251.23711	20.7
255.79315	3.1
261.22131	19.5
276.72778	2.8
279.23218	52.2
286.16525	7.3
297.24252	8.2
298.16513	6.2
316.17551	18.8
342.22897	4.9
371.24847	3.0
380.27939	20.9
408.27451	47.4
426.28519	55.4
444.29095	4.1
462.20148	4.2
462.28461	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	463.179
Annotation	Forsythoside E
Peak:m/z	Relative Intensity
55.05511	0.6
67.05492	0.8
69.03443	0.8
70.06589	1.3
70.45708	0.9
70.46075	1.1
71.79794	0.4
72.08157	0.6
81.03421	0.7
84.04520	0.8
84.08145	1.9
85.02907	0.9
86.09724	2.2
91.05502	0.6
94.78735	0.5
97.02874	0.7
99.04473	0.6
102.05567	0.6
105.81621	0.5
109.10131	0.7
114.08531	0.5
127.03967	0.9
129.04025	0.5
129.10219	2.3
145.04900	0.5
157.08388	1.4
163.03886	0.7
164.18610	0.5
227.31598	0.5
294.18167	0.7
301.12485	1.3
319.13617	7.3
329.08203	0.5
361.14545	2.2
401.17844	16.8
403.15765	9.0
445.16730	1.6
445.22971	2.4
463.17911	100.0
464.18347	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
55.01855	4.3
55.05515	17.6
56.37027	1.8
57.03441	8.8
57.07053	4.1
60.33381	1.6
63.55098	1.8
65.03947	3.7
67.05506	46.9
69.07063	12.8
71.04978	1.8
71.08633	31.9
71.52869	1.9
79.05495	36.1
81.03417	8.4
81.07059	48.8
83.04996	8.7
83.08617	8.3
85.06553	3.3
91.05486	23.7
93.07040	47.7
95.04967	7.8
95.08611	31.5
97.06533	8.0
97.10153	2.2
98.98463	5.1
99.08099	18.6
105.07021	15.9
105.74329	1.8
107.04956	6.0
107.08583	22.1
109.10168	12.3
113.00006	20.5
117.07011	6.2
119.08601	15.3
121.06493	2.2
121.10143	17.8
123.08054	3.6
129.06990	2.9
131.08614	8.7
133.10132	10.6
135.08087	3.1
135.11693	23.3
137.09668	3.4
145.10126	3.9
147.11700	5.5
149.13264	14.2
151.11189	13.9
155.01056	4.6
157.10109	3.9
159.11687	6.7
161.13248	8.5
163.11171	5.3
164.81435	2.2
167.10637	2.6
169.02605	6.1
177.12733	4.9
179.14323	53.7
195.13829	3.2
227.12740	2.1
235.16898	4.1
259.20651	5.5
277.21637	37.3
278.07007	1.8
295.22888	2.0
295.26453	1.8
309.24255	7.7
347.16327	2.5
351.25293	100.0
445.29291	3.3
463.31192	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	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05515	15.6
57.07079	33.9
62.99859	2.2
67.05498	8.4
69.07072	29.4
70.03071	6.3
71.08308	2.3
71.08644	30.3
74.51559	2.0
74.75194	2.0
79.05484	5.0
80.75191	2.0
81.07059	19.0
83.08626	19.3
85.10197	18.7
91.05488	4.1
93.07047	10.9
95.08595	17.2
97.06547	2.7
97.10192	11.0
105.07024	7.2
107.08588	7.9
109.06521	13.9
109.10172	6.8
111.11715	6.7
119.08569	5.2
121.06528	3.6
121.10133	3.0
123.08053	11.3
123.11683	4.6
125.05986	14.9
125.09618	3.3
125.13276	3.0
127.07557	34.3
131.08519	3.4
133.10175	4.1
135.08055	2.9
137.05969	6.0
137.09621	3.2
137.13237	2.0
139.07545	100.0
145.10085	3.3
147.11676	5.2
149.05914	2.3
151.07523	7.4
161.13272	2.9
165.09056	4.8
167.07047	5.5
171.11758	2.3
177.09157	12.5
177.49248	2.4
189.16444	2.4
193.12154	2.4
245.22513	2.3
255.09705	2.5
256.74512	2.3
281.72495	2.4
301.28906	4.5
319.29984	9.0
347.33023	11.4
373.31052	4.2
399.36282	4.1
417.37274	16.7
427.35446	4.2
442.49136	2.5
445.36761	62.1
463.37833	62.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.36893	1.7
55.05515	11.3
57.07077	32.2
62.02224	1.6
64.88746	1.9
67.05494	5.3
69.07072	19.6
69.46039	12.9
69.57220	1.8
71.08636	19.3
79.05499	4.1
81.07064	15.7
82.07470	1.9
83.08635	14.2
85.10189	9.9
91.05458	4.4
93.07030	6.9
95.08602	15.1
97.02937	1.8
97.06525	4.1
97.10183	8.7
99.04436	2.8
105.07024	7.1
107.08575	5.3
109.06528	9.6
109.10154	8.3
111.11696	7.0
119.08569	3.1
121.10118	3.7
123.08075	8.3
123.11694	3.3
125.06001	12.4
127.07549	39.4
131.08559	1.6
133.10095	2.5
135.08046	3.1
137.05942	5.2
137.09578	3.6
139.07542	100.0
147.11650	3.1
149.05920	2.2
149.09622	4.2
151.07573	5.9
161.09642	2.6
161.13310	2.0
163.07477	1.7
163.11148	2.3
165.09174	2.4
167.07037	6.4
169.08609	2.2
177.09129	12.0
189.12804	1.8
219.13699	1.9
274.67905	2.1
301.28864	4.5
311.77634	2.2
319.30112	9.5
347.32944	14.6
372.13879	2.2
373.31061	4.5
399.35983	2.7
403.35651	3.9
417.37286	16.5
427.35834	3.2
445.36758	52.8
463.37830	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82352	0.2
55.05518	0.4
56.05030	0.7
58.06364	0.3
58.06623	0.5
60.08168	5.8
67.05501	0.7
69.03417	0.2
69.07062	0.4
69.26462	0.7
69.26894	0.8
71.07372	2.9
79.05491	0.7
81.03442	0.5
81.07066	0.8
83.05006	0.4
84.08152	0.3
85.02933	0.2
86.09712	29.8
87.10024	0.2
91.05490	0.7
93.07051	0.8
95.04980	0.4
95.08614	0.5
97.06512	0.6
98.20697	0.4
98.98470	2.8
98.99049	0.3
104.10749	3.2
105.07038	0.7
106.72527	0.2
107.08602	0.4
107.79974	0.2
109.06519	0.2
109.10188	0.3
115.83234	0.2
117.07081	0.2
119.08617	0.5
121.10165	0.4
125.00014	20.1
131.08525	0.3
133.10144	0.4
135.11746	0.3
143.08617	0.2
145.06555	0.2
145.10143	0.3
147.11723	0.4
171.11812	0.3
173.13203	0.2
184.07352	100.0
185.07727	0.5
215.07167	0.2
215.14268	0.2
258.11087	0.2
258.99493	0.2
259.09692	0.2
267.15909	0.4
271.20538	0.3
303.13165	0.2
415.77020	0.2
446.23141	1.3
446.29047	0.7
464.24130	6.8
464.30603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.1
55.01871	7.6
55.05510	17.9
55.46359	2.4
56.05048	3.8
57.03435	4.3
57.07080	4.2
67.05508	55.5
69.03437	17.3
69.07077	13.9
70.18812	11.3
71.04990	6.5
74.02416	3.1
77.94607	2.6
79.05498	45.9
81.03413	11.3
81.07063	83.9
83.04961	7.3
83.08613	7.4
84.04512	22.8
85.02909	24.9
85.06530	4.7
91.05483	56.5
93.06496	4.4
93.07057	73.0
95.04981	25.7
95.08613	75.9
97.02890	7.4
97.06542	25.5
97.10151	9.6
99.04462	7.6
99.08073	5.7
102.05547	15.4
103.03942	25.2
105.04486	3.3
105.07035	100.0
107.04939	4.2
107.08603	95.0
109.02876	8.5
109.06518	17.3
109.10159	30.3
111.04512	3.4
111.08082	12.3
115.05468	6.3
116.06245	4.3
117.07014	24.9
119.04975	3.7
119.06049	3.2
119.08586	75.8
120.08144	3.0
121.06506	26.1
121.10152	43.0
123.08084	25.0
123.11726	29.5
125.09634	12.6
127.03929	33.0
128.06230	7.1
129.07010	19.0
130.05011	7.9
130.07767	5.6
131.08569	55.6
133.10141	49.8
135.08070	40.8
135.11723	16.4
137.09602	10.1
141.06984	8.6
142.07817	15.6
143.08582	37.5
144.09329	7.8
145.04945	18.9
145.06406	4.6
145.10133	60.7
147.08044	17.8
147.11705	34.9
148.06024	2.9
148.09692	3.9
148.11974	2.8
149.09637	34.4
149.13330	5.3
151.11189	10.8
153.07030	5.3
155.08534	21.5
156.09323	10.2
157.10141	56.9
158.10896	6.2
159.08072	8.0
159.11710	68.3
161.09590	17.8
161.13245	16.5
163.03912	2.8
163.06029	23.1
163.07561	8.9
163.11198	49.8
165.09126	6.1
165.12817	4.7
167.08562	5.9
167.10577	3.3
168.09357	6.0
169.10123	26.2
170.10759	4.5
171.11707	29.3
173.09616	10.5
173.13280	24.9
175.11201	43.6
175.14845	11.2
177.09067	3.7
177.12744	27.1
179.10716	3.4
181.10054	4.8
182.10844	6.5
183.11736	28.8
184.07224	2.8
185.09608	7.6
185.13248	35.4
187.11154	15.6
187.14825	14.9
189.12703	23.8
191.14333	6.3
193.10123	3.7
195.08142	3.8
195.11740	6.3
197.13301	23.3
199.11296	6.2
199.14845	20.3
201.12779	22.2
201.16376	8.2
203.10678	9.8
203.14339	30.7
205.12149	3.3
207.11674	4.1
209.13283	8.7
211.11205	5.8
211.14804	18.0
213.12823	4.7
213.16391	9.8
215.14352	15.7
215.17892	6.9
217.12207	4.1
217.15834	22.1
221.13243	7.2
223.14847	5.7
225.12727	10.9
225.16331	16.2
227.14339	6.2
229.12201	5.2
229.15878	6.3
231.13855	4.2
235.17052	2.8
239.14345	9.3
241.15872	8.7
243.13828	4.4
243.17537	18.1
243.21068	6.6
245.15465	3.8
253.19539	29.6
257.18884	7.4
259.09564	5.5
263.18073	14.9
271.20554	56.0
281.19061	38.7
283.06168	3.2
289.21579	4.3
299.20074	87.4
307.10104	6.1
317.20908	6.0
400.24872	5.6
428.24344	6.9
446.25095	22.5
464.27676	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	464.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
55.05513	35.7
55.10661	6.4
55.27601	5.9
56.39730	6.2
57.03429	8.5
57.07063	7.2
67.05509	43.2
69.03425	28.9
69.07075	38.0
71.51874	7.6
71.52238	6.8
76.69588	6.0
76.70057	6.4
79.05491	42.9
81.03407	24.8
81.07051	84.5
82.03761	7.4
83.04987	18.9
83.08627	10.5
84.04497	29.4
85.02893	16.2
85.06540	7.1
87.04449	8.4
91.05462	46.9
93.07043	93.3
95.04958	23.8
95.08607	71.8
97.02856	10.0
97.06521	25.0
97.10152	17.3
98.10482	9.2
99.04440	7.4
102.05547	10.1
105.07036	65.0
106.76236	7.7
107.08602	84.0
109.02850	22.1
109.06511	18.0
109.10155	45.9
111.04455	8.6
111.08051	18.4
117.07006	13.4
119.08578	72.6
121.06532	13.9
121.10147	82.4
123.08058	19.7
123.11728	24.6
127.03893	18.6
129.06979	9.1
130.04970	16.4
131.08563	41.1
133.10133	45.9
135.08049	38.8
135.11707	15.2
137.05920	7.3
137.09596	10.6
139.07584	11.7
139.11168	7.7
142.07791	13.6
143.08557	22.0
144.09337	7.4
145.06538	6.5
145.10126	40.1
147.07999	16.4
147.11720	32.4
148.06056	14.9
149.09610	35.8
149.13281	9.1
151.11205	11.3
153.09067	8.2
155.08511	20.4
156.09323	8.0
157.08847	12.5
157.10114	46.9
157.12230	7.9
159.08017	12.7
159.11711	45.1
161.09589	12.4
161.13226	18.3
163.03949	7.2
163.07532	7.4
163.11188	20.5
164.04218	6.5
165.09100	17.7
168.09375	7.0
169.10136	13.9
170.10925	7.3
171.11671	31.1
173.13225	30.3
175.11189	20.3
175.14928	9.5
177.12787	7.3
183.11693	28.6
185.09581	8.0
185.13252	21.2
187.11186	12.0
187.14772	10.3
189.12740	17.6
191.10622	9.0
191.90878	8.4
197.13213	22.4
199.14847	32.4
201.12598	13.6
201.16347	33.7
203.14375	9.3
209.13217	17.1
211.14822	20.4
215.14383	8.9
215.18018	8.4
217.15953	9.3
221.13313	8.5
225.12761	13.7
227.14302	37.7
229.12262	8.2
231.13969	11.4
239.14296	10.6
243.13832	7.5
243.21126	14.0
249.14934	9.3
253.19637	34.6
259.09561	9.1
261.06613	7.0
267.15887	16.2
271.20612	20.4
274.55435	6.5
281.19052	40.5
299.20056	100.0
317.21069	56.4
446.25708	26.9
464.18179	6.7
464.19229	8.5
464.26508	97.6
464.32739	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	464.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	10.0
57.03437	6.3
57.07076	1.8
62.65075	0.7
64.60185	0.7
67.05510	24.4
69.07070	13.0
69.19620	0.7
70.06582	1.2
71.53275	0.9
79.05492	5.8
81.06599	1.1
81.07063	20.0
83.08630	5.4
85.67640	0.8
86.65061	0.7
88.54606	0.6
91.05471	3.8
93.07053	6.7
95.08610	15.1
97.06522	2.2
97.10162	2.8
105.07018	3.5
107.08587	2.3
109.10159	7.4
119.08570	2.3
121.10123	2.2
123.11706	2.4
133.10114	2.4
135.11719	1.5
137.13278	1.2
147.04362	1.0
147.11679	2.1
156.34451	0.8
161.13255	1.2
191.07150	0.6
241.76271	0.7
256.26349	1.4
275.20303	1.0
279.13696	0.7
292.26361	4.0
317.74228	0.9
323.25824	100.0
324.25958	0.9
362.30237	0.8
420.68399	0.8
446.24786	0.7
464.33527	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.02382	0.2
53.03931	0.5
55.01869	0.6
57.03413	0.7
57.79888	0.2
61.02928	1.3
63.98713	0.2
68.99770	0.5
69.03427	3.0
69.49865	1.5
71.04976	0.4
73.02918	0.6
81.03419	2.1
85.02902	9.3
91.03930	0.7
93.03371	0.4
94.22150	0.2
97.02895	3.4
99.04446	0.5
99.99755	0.2
109.02845	1.1
111.00779	1.0
121.02859	1.3
127.03901	1.6
137.01366	0.4
137.02342	3.6
137.03340	0.3
145.04947	2.0
145.06593	0.3
149.02341	0.4
153.01826	4.0
159.04433	0.3
161.06049	0.4
163.03905	0.6
165.01820	2.0
166.02589	0.4
173.06027	0.3
181.41344	0.2
183.02858	0.7
183.04382	0.4
187.03856	0.5
201.05493	1.9
205.04890	0.4
228.04118	0.3
229.04951	5.0
247.06047	0.6
257.04419	2.5
274.04745	0.9
285.03967	1.0
303.04977	100.0
304.05316	1.1
316.15332	0.3
335.49176	0.2
373.14508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01865	0.6
55.05484	0.4
57.03420	0.8
59.05005	0.3
61.02925	1.6
63.35393	0.2
65.03918	0.3
66.50175	0.2
67.05500	0.3
68.99794	0.9
69.03082	0.3
69.03433	3.4
69.23064	1.3
69.23495	0.7
70.06599	0.4
71.04980	0.6
72.08147	0.3
73.02907	0.5
77.82877	0.2
81.03418	2.5
81.07059	0.4
83.01327	0.2
83.08602	0.4
85.02907	10.8
86.09703	1.6
87.04461	0.4
91.03946	0.6
91.05466	0.5
93.03369	0.4
95.04977	0.7
95.08598	0.2
97.02896	3.9
97.06563	0.3
99.04460	1.0
103.03934	0.9
105.03409	0.2
105.07037	0.3
107.04946	0.3
109.02878	1.8
111.00822	0.8
115.07563	0.5
119.04974	0.2
119.08530	0.3
120.08129	1.1
121.02842	1.4
123.04433	0.3
127.03922	2.9
131.04857	0.3
137.02338	3.7
145.02808	0.4
145.04942	2.6
145.06416	0.4
147.04431	0.5
147.11699	0.3
149.02333	0.5
153.01825	4.7
154.76875	0.2
159.10170	0.3
163.03896	0.7
163.06055	0.6
165.01852	2.3
166.02611	0.4
173.06007	0.3
175.11194	0.4
177.05513	0.4
183.02901	0.7
183.04446	0.4
184.07336	0.8
187.03949	0.3
191.03349	0.3
193.12238	0.6
201.05453	2.1
207.02948	0.2
208.74225	0.2
213.05536	0.3
216.93759	0.2
219.06422	0.3
223.06058	0.7
224.06534	0.4
228.04153	0.3
229.04967	5.0
235.10831	0.3
247.06104	1.1
257.04459	2.9
267.15866	0.5
274.04755	0.7
278.10373	0.2
285.03876	1.3
285.12231	0.3
285.17081	0.6
301.11923	0.3
303.04993	100.0
304.05447	1.1
315.05246	0.2
377.06506	0.3
465.08508	0.7
465.16284	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36213	0.1
53.03940	0.6
55.01872	0.7
57.03435	1.0
60.96087	0.1
61.02927	1.4
65.03933	0.4
67.01866	0.1
67.05493	0.1
68.99786	0.6
69.03428	3.3
69.50321	0.2
69.50748	0.6
70.06579	0.1
71.04989	0.5
73.02902	0.4
79.05495	0.2
81.03416	1.9
81.07053	0.1
83.01342	0.2
84.04498	0.1
85.02905	9.6
86.09709	0.4
87.04480	0.5
91.03964	0.8
91.05467	0.2
93.03400	0.3
93.07052	0.2
95.04957	0.3
97.02888	3.1
99.04449	0.7
103.03931	0.1
105.07058	0.1
109.02879	1.4
109.10178	0.1
111.00796	1.1
111.38692	0.1
115.03912	0.1
119.04933	0.1
119.08553	0.2
120.08089	0.3
121.02879	0.9
123.04420	0.4
127.03916	2.3
131.04948	0.2
135.04442	0.2
135.72728	0.1
137.02336	3.4
138.09145	0.2
145.04961	1.8
145.06274	0.1
148.07576	0.1
149.02359	0.6
153.01823	4.3
155.04932	0.4
161.05934	0.3
163.03906	0.6
165.00536	0.2
165.01843	2.2
166.02620	0.3
166.04997	0.3
173.05965	0.6
175.11154	0.1
177.01857	0.2
177.05414	0.2
179.03444	0.2
181.04967	0.2
181.08600	0.4
182.08939	0.2
183.02884	0.8
183.04453	0.3
183.12537	0.1
187.03944	0.3
191.03395	0.2
195.02887	0.4
201.05478	1.9
205.04948	0.1
207.02844	0.2
211.03952	0.1
212.68121	0.1
213.10303	0.2
219.02924	0.2
219.06512	0.3
223.05975	0.2
228.04182	0.2
229.04965	4.6
232.03734	0.1
239.03543	0.1
241.13315	0.2
247.06033	0.7
257.04422	2.9
263.65421	0.1
265.08554	0.1
267.67685	0.1
274.04736	0.8
275.05417	0.2
285.03918	1.5
285.12311	0.3
285.16949	0.2
286.04541	0.1
303.04974	100.0
304.05310	0.9
315.04990	0.3
345.06027	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.05503	3.0
55.55203	1.4
56.90504	1.0
57.03442	1.4
63.61988	1.2
67.05489	4.3
69.03446	5.7
69.07046	5.5
69.21508	8.9
71.04985	1.1
79.05473	5.1
81.03411	5.1
81.07059	9.3
83.04963	1.5
85.02898	2.9
85.06567	1.4
85.09416	1.1
86.09702	3.7
91.05476	4.7
93.07060	7.7
95.04978	6.5
95.08595	5.3
97.06518	3.3
97.10141	3.3
99.04404	1.8
105.07049	8.0
107.08604	6.3
109.02858	3.3
109.06482	2.6
109.10172	5.5
111.04473	1.4
111.08092	2.0
111.11714	1.7
113.10758	1.5
117.07000	2.4
119.08595	5.7
121.06493	2.3
121.10137	5.7
121.34624	1.1
123.11699	3.3
127.03893	3.6
131.08611	3.3
132.08087	1.5
133.10138	3.7
135.04321	1.4
135.08051	2.6
135.11674	3.1
139.11119	1.8
141.10199	2.7
143.08644	1.2
145.04938	1.4
145.10107	4.1
147.11682	4.2
149.09668	2.3
149.13245	1.8
151.11125	1.5
157.10126	2.9
159.09151	1.7
159.11696	3.9
161.13257	1.7
163.04002	1.6
165.12842	1.4
169.09996	1.7
175.11209	1.3
187.11183	1.5
197.13248	1.3
201.05199	1.5
216.07581	10.0
217.08350	7.5
219.13826	1.3
227.05273	2.0
267.15826	1.8
271.04224	2.7
275.20059	3.1
300.17181	2.0
303.05029	3.7
303.23145	2.5
361.51019	1.4
379.13577	4.5
421.09521	2.0
421.14713	25.1
422.15396	1.2
447.27347	3.5
465.13577	100.0
465.27988	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	465.1373
Annotation	Keyakinol
Peak:m/z	Relative Intensity
55.05508	1.1
57.03429	0.3
62.30950	0.3
67.05505	1.4
69.03426	0.8
69.07060	1.7
70.08646	1.2
79.05502	1.2
81.03423	1.2
81.07059	2.8
83.04979	0.5
83.08626	0.5
85.02896	0.9
87.01994	0.3
91.05490	1.5
93.07066	1.9
95.04964	1.2
95.08601	1.4
96.15988	0.5
97.02888	0.6
97.06557	0.9
97.10197	0.6
98.20864	0.7
99.04449	0.6
105.07037	1.5
107.08579	1.6
107.79220	0.4
109.02927	0.8
109.06518	0.5
109.10158	1.3
111.04473	0.4
114.31927	0.4
115.08592	0.4
117.07076	0.5
119.08594	1.5
121.06514	0.4
121.10126	1.3
123.11714	0.8
131.08595	0.4
133.10086	0.8
135.11726	0.8
145.02872	0.4
145.10184	0.9
147.04480	0.9
147.11676	0.7
149.13248	0.6
159.11742	0.8
161.09700	0.6
165.09134	0.5
165.12781	0.5
167.03232	0.6
169.04762	0.6
185.04256	0.8
201.05244	2.9
201.23524	0.4
216.07587	23.1
217.08385	9.8
227.05333	1.8
271.04193	2.6
275.20004	0.9
303.05026	0.9
307.25137	0.4
331.43805	0.5
379.13687	3.6
403.13416	0.6
421.14725	29.0
422.15372	0.5
429.26175	0.5
447.27505	0.6
465.13742	100.0
466.14078	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05508	1.2
56.05024	1.1
58.06596	1.0
60.08164	14.8
64.41144	0.5
67.03487	0.6
67.05497	1.9
69.03428	0.7
69.07080	0.9
70.06573	1.0
71.04998	0.7
71.07377	6.0
72.08160	0.7
73.02925	4.9
74.03246	1.1
79.05502	2.0
81.03419	0.8
81.07051	2.4
83.05003	0.7
85.02905	1.1
86.09710	45.3
87.04489	0.9
91.05482	1.5
93.07052	2.6
95.04996	1.1
95.08602	2.6
98.98476	3.0
99.04470	0.9
99.40301	0.5
103.03937	0.6
104.10748	100.0
105.07050	1.1
107.04958	1.3
107.08589	3.0
109.06525	0.8
109.10135	1.3
111.08104	0.6
115.76627	0.5
119.08543	1.4
120.08141	0.7
121.02880	0.8
121.06482	1.1
121.10103	1.1
125.00008	26.2
127.03952	0.7
133.10138	0.8
135.07959	0.6
135.11703	2.0
145.10150	2.0
158.48441	0.6
163.11203	2.7
184.07347	78.0
201.14880	0.8
204.06691	0.8
211.13188	0.7
227.12840	1.8
230.05539	0.6
258.04651	0.7
258.10950	0.8
283.15350	0.7
285.16943	0.9
303.05038	6.6
304.05307	15.2
448.20901	4.3
466.22043	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	466.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
57.03428	0.2
58.06355	0.2
58.06622	0.5
60.08164	6.4
67.05482	0.2
69.70328	0.9
69.86150	0.1
70.02976	0.2
70.06564	0.4
71.07378	2.2
79.05508	0.3
81.03397	0.2
81.07064	0.4
86.09708	30.0
87.83761	0.2
91.05488	0.3
92.82610	0.2
93.07047	0.8
95.08622	0.7
96.36577	0.2
97.06506	0.2
98.20760	0.3
98.98455	2.5
104.10748	4.9
105.07014	0.2
107.08588	0.7
109.06515	0.2
119.08578	0.3
125.00006	20.0
127.03887	0.2
135.11713	0.9
143.01187	0.2
145.10112	0.4
163.11200	0.8
184.07344	100.0
185.07684	0.4
219.15457	0.2
227.12772	0.6
283.15485	0.3
286.10687	0.4
303.05042	0.2
304.05334	0.3
448.20929	1.2
466.16547	0.5
466.22025	13.4
467.22583	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.4
56.05048	0.4
57.59810	0.2
58.06355	0.2
58.06624	0.6
60.08168	6.5
64.01037	0.2
64.04719	0.2
67.05499	0.3
69.03429	0.7
70.06601	0.5
71.07378	3.0
71.36347	0.3
71.36681	0.3
79.05502	0.7
81.03409	0.5
81.07050	0.6
83.08618	0.3
85.02911	1.6
86.03253	0.5
86.09708	32.3
91.05472	0.9
93.07039	0.6
95.08619	0.6
97.02911	0.5
97.06512	0.2
97.56264	0.2
98.98467	2.4
99.04459	0.6
102.12857	0.2
103.03941	0.5
104.10741	4.0
105.07037	0.3
106.04253	0.2
107.08601	0.7
107.71398	0.2
109.02843	0.4
110.64919	0.2
112.67372	0.2
114.39375	0.2
119.08619	0.3
121.06493	0.3
121.10168	0.3
125.00008	20.9
126.57719	0.2
127.03927	0.9
128.04248	0.4
135.11720	0.7
137.02351	0.3
145.05009	0.4
145.10100	0.3
163.06024	0.3
163.11197	0.7
174.96640	0.2
183.57475	0.2
184.07344	100.0
185.07788	0.3
209.08214	0.2
215.61473	0.2
227.12852	0.4
229.04880	0.3
303.05002	3.7
304.05368	7.3
304.16928	0.3
394.49234	0.2
448.21115	0.6
466.17017	0.5
466.22070	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	466.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.6
55.05508	1.2
56.05024	1.1
58.06596	1.0
60.08164	14.8
64.41144	0.5
67.03487	0.6
67.05497	1.9
69.03428	0.7
69.07080	0.9
70.06573	1.0
71.04998	0.7
71.07377	6.0
72.08160	0.7
73.02925	4.9
74.03246	1.1
79.05502	2.0
81.03419	0.8
81.07051	2.4
83.05003	0.7
85.02905	1.1
86.09710	45.3
87.04489	0.9
91.05482	1.5
93.07052	2.6
95.04996	1.1
95.08602	2.6
98.98476	3.0
99.04470	0.9
99.40301	0.5
103.03937	0.6
104.10748	100.0
105.07050	1.1
107.04958	1.3
107.08589	3.0
109.06525	0.8
109.10135	1.3
111.08104	0.6
115.76627	0.5
119.08543	1.4
120.08141	0.7
121.02880	0.8
121.06482	1.1
121.10103	1.1
125.00008	26.2
127.03952	0.7
133.10138	0.8
135.07959	0.6
135.11703	2.0
145.10150	2.0
158.48441	0.6
163.11203	2.7
184.07347	78.0
201.14880	0.8
204.06691	0.8
211.13188	0.7
227.12840	1.8
230.05539	0.6
258.04651	0.7
258.10950	0.8
283.15350	0.7
285.16943	0.9
303.05038	6.6
304.05307	15.2
448.20901	4.3
466.22043	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	466.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01874	3.8
55.05508	11.8
57.03437	3.6
57.07063	1.8
59.04990	1.4
61.02929	2.8
67.05504	10.0
68.05831	1.1
69.03084	1.8
69.03430	21.2
69.07077	7.3
71.04990	7.3
71.52020	1.8
73.02916	2.5
79.05492	5.0
81.03422	16.5
81.06591	2.2
81.07059	40.9
82.81989	1.1
83.04987	2.5
83.08624	11.3
84.04499	3.5
85.02907	42.3
85.06546	2.5
85.29999	1.0
86.09740	1.6
87.00830	20.5
91.05470	6.3
93.07045	8.7
95.04957	4.1
95.08611	13.6
97.02897	15.1
97.06537	2.5
97.10171	2.3
99.04463	7.6
102.05558	2.5
105.01871	20.3
105.07030	18.2
107.08591	9.0
109.02879	19.2
109.06532	3.3
109.10163	6.5
113.06034	1.9
117.01872	1.1
119.08572	8.2
121.10136	17.7
122.10502	1.4
123.08100	1.5
123.11710	100.0
125.09719	1.6
127.03921	27.3
127.07607	1.4
133.10103	1.9
135.08052	2.1
135.11710	2.4
137.09625	1.6
137.13264	9.0
139.11198	2.8
145.04942	8.5
145.10097	3.3
147.11685	33.8
147.12817	2.2
148.06038	1.6
151.11201	1.3
157.10109	1.4
159.02878	4.8
159.07983	1.2
159.11665	2.2
161.09650	1.3
165.12756	44.5
173.13362	1.5
183.13815	77.7
201.14838	21.1
213.04019	1.9
231.05058	7.1
249.06102	3.1
267.15820	1.2
276.20459	1.4
291.16046	1.2
301.21960	1.4
319.22665	2.0
413.14398	3.2
448.27072	3.4
466.28418	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.05507	4.3
57.03434	6.9
57.07074	2.0
60.05077	0.7
61.02922	1.2
64.22862	0.8
67.05510	20.7
69.03428	1.7
69.07069	8.8
69.86088	3.7
71.04985	2.0
73.02914	1.8
77.28722	0.6
79.05074	1.0
79.05496	11.9
81.03415	1.8
81.07061	31.9
83.04964	2.4
83.08630	6.3
84.04496	1.4
85.02895	3.1
85.06543	1.6
86.09687	0.9
91.03910	1.0
91.05476	5.5
93.06492	1.5
93.07049	25.0
95.04967	2.3
95.08609	10.8
97.02910	1.7
97.06531	4.7
99.04414	0.9
99.08085	1.4
103.90712	0.8
105.07022	4.6
107.08605	14.7
109.06520	2.6
109.10159	5.7
111.08089	3.2
116.93980	0.9
117.07003	4.0
119.08576	3.3
121.06513	1.9
121.10146	9.2
123.08062	1.1
123.11691	2.9
127.03943	1.5
127.07548	0.8
130.05046	1.3
131.08574	5.2
133.10130	5.5
135.08052	1.8
135.11696	5.2
137.09543	1.0
145.10146	1.9
147.11674	2.3
148.06070	1.8
149.09668	1.9
149.13268	17.6
151.11177	1.0
157.10149	1.7
159.11720	6.9
161.13243	1.6
161.85124	0.8
163.11211	1.5
171.11586	0.9
173.13287	1.9
175.11075	0.7
177.12747	3.3
184.07385	0.8
185.13315	0.8
187.14752	0.9
191.14388	1.1
195.13817	5.3
199.14822	1.2
201.12613	0.7
201.14780	0.7
219.13551	0.7
233.39848	0.7
255.21161	1.7
269.17493	100.0
270.17743	1.0
273.22141	1.4
283.20407	1.1
301.21579	3.5
319.22610	1.6
328.51218	0.7
431.22681	1.5
448.26987	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	466.2802
Annotation	Dehydrodeltatsine
Peak:m/z	Relative Intensity
52.56751	0.9
53.03927	2.3
55.01873	1.8
55.05518	9.3
57.01805	0.9
57.03439	1.1
57.07066	2.2
59.05001	1.4
59.19822	0.9
65.03933	1.4
67.05508	39.4
69.03424	8.9
69.07071	23.5
69.37831	8.5
71.04965	2.1
71.22463	0.9
74.15631	1.2
79.05489	9.9
81.07058	46.9
83.04976	4.8
83.08612	4.0
84.04511	4.6
85.02936	1.1
85.06560	2.6
86.09702	1.5
89.56895	1.0
91.05479	9.0
93.07051	19.6
94.07840	0.9
95.04981	6.3
95.08608	20.1
97.06535	4.5
97.10174	2.3
102.05527	2.5
105.07039	15.3
107.07878	1.8
107.08597	27.2
109.06525	5.8
109.10157	100.0
111.04443	1.1
111.08114	1.5
111.11745	1.6
113.09616	2.0
117.06999	2.0
119.08594	17.2
121.06493	4.3
121.10146	19.4
123.08072	2.3
123.11701	16.1
125.09627	1.8
129.07014	2.0
130.05000	6.2
131.08572	15.5
133.10127	9.6
135.08041	2.9
135.11705	8.9
137.09634	9.3
137.13293	1.4
139.11174	3.1
142.07768	1.3
143.08548	4.3
145.10132	10.1
147.08075	6.6
147.11713	8.3
148.06047	8.7
149.09628	27.5
149.13231	2.0
151.11192	6.7
153.09111	1.4
153.12733	6.5
155.08586	1.2
155.10669	2.6
157.10150	6.0
159.08052	2.3
159.11694	10.2
161.09605	3.9
161.13261	3.8
163.03923	1.3
163.11174	4.8
165.09125	19.6
165.12747	1.0
167.10667	4.4
171.11707	4.3
173.09596	1.4
173.13271	8.3
175.11192	2.9
175.14839	3.5
177.09090	6.1
177.12796	1.3
179.10645	2.9
183.10191	3.0
183.11707	1.2
184.07388	2.0
185.09740	1.3
185.13297	3.1
187.14796	3.9
189.12749	2.4
191.10704	2.5
191.14346	4.2
193.12192	2.7
195.10117	3.0
199.11029	1.0
199.14856	5.8
201.12720	1.8
201.16365	3.7
203.14357	2.4
209.13379	1.1
213.16400	2.1
215.14380	2.2
215.17949	2.7
217.12234	1.4
217.15848	2.1
219.13811	5.7
227.14337	3.0
233.15387	2.3
235.13309	2.1
237.14755	1.3
241.19522	2.6
245.15378	5.0
251.16331	2.3
255.21037	5.0
257.22552	1.3
263.16479	1.6
265.19574	1.4
273.22122	11.7
283.20590	4.4
291.23273	1.9
301.21655	18.0
319.22690	21.2
393.54993	1.0
418.24899	1.0
448.26865	5.0
466.28281	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	466.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.6
55.01870	1.3
55.05517	14.4
56.90252	1.0
57.03444	5.3
57.07082	10.1
58.82256	1.0
61.02925	2.0
67.05505	22.3
69.03437	7.1
69.07071	22.0
70.53017	2.1
70.53390	2.2
71.05001	1.3
71.08628	6.8
73.06576	1.1
79.05498	12.9
81.03426	2.0
81.07056	27.7
83.04979	5.6
83.08624	18.3
84.21275	1.2
85.02906	17.6
85.06538	2.9
85.10185	4.6
87.04467	5.4
91.05476	1.7
93.07053	13.5
94.85773	1.1
95.08603	21.0
97.02898	5.7
97.06534	10.3
97.10177	12.7
98.32508	1.0
99.04474	1.7
101.06025	4.0
105.07011	1.3
107.08592	12.0
109.02849	1.1
109.10160	15.1
111.08076	3.5
111.11721	2.9
115.03956	2.3
121.10146	32.0
123.11721	13.7
124.06544	1.2
125.13294	1.8
127.03893	2.5
135.11702	21.0
137.13266	1.2
139.11180	1.3
145.04956	2.5
149.02327	1.0
149.13271	9.2
153.12677	1.4
155.14253	1.6
163.14842	2.8
167.14467	1.1
179.17966	2.2
197.18990	6.5
205.19522	28.1
215.17876	1.7
223.20575	16.6
233.19019	3.0
241.21623	32.7
251.20090	3.3
269.21124	100.0
336.57913	1.0
353.56314	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73178	0.3
55.05518	0.6
57.07084	5.2
58.06585	1.3
62.69445	0.3
65.03939	1.4
67.05498	0.7
69.03436	0.4
69.07079	0.4
70.06599	13.6
70.22630	0.3
70.67870	0.3
71.08638	2.2
71.25558	0.7
71.25887	0.3
81.07056	0.4
81.68590	0.3
84.08148	0.6
85.10190	0.8
88.07639	16.7
93.07052	0.5
102.09189	13.0
103.01829	0.5
121.02876	0.9
132.10219	1.2
135.11765	0.4
139.03914	0.7
146.11755	1.2
149.02359	50.5
149.03418	2.9
162.19437	0.3
174.72021	0.3
180.74905	0.3
193.04979	54.9
212.23686	0.7
237.07588	52.1
238.07895	0.5
256.26376	38.4
300.28983	4.5
324.86301	0.3
326.02667	0.3
379.24744	0.3
466.31686	100.0
467.31909	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	467.1551
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
53.03943	0.7
53.95866	0.3
55.01863	0.9
57.03447	0.4
65.03951	1.6
67.05505	2.0
69.03421	1.1
70.06593	3.4
71.04979	0.4
71.52497	0.3
72.08158	0.4
73.02923	0.4
79.05499	0.4
81.03429	2.7
81.07034	0.4
84.08153	0.5
85.02911	3.7
85.35237	0.4
86.09705	1.5
91.05489	0.9
93.03416	2.2
93.07067	0.7
95.04974	1.2
95.08620	0.5
97.02370	0.3
97.02908	1.7
99.43336	0.4
103.03956	0.5
104.10756	0.8
105.07037	1.1
107.04987	0.4
108.02101	1.4
109.02878	1.0
111.04446	1.6
115.05511	0.4
115.08717	0.4
119.04956	0.9
121.06491	0.3
122.05936	0.3
123.04420	0.9
124.99983	0.6
125.05993	1.8
127.03899	0.8
128.06212	0.4
129.07007	1.0
130.06529	0.6
131.04944	0.5
132.08023	0.3
133.06505	1.1
136.01538	0.6
137.05989	3.2
141.05478	1.4
143.04900	0.6
143.08540	0.4
145.04875	0.4
145.06491	0.6
147.04427	1.7
147.08060	0.4
149.06001	1.5
151.03914	100.0
151.04996	7.2
151.07533	1.5
152.04216	0.4
153.06944	0.6
157.06450	1.0
159.09163	0.7
161.06017	2.1
163.03893	0.3
165.05479	5.6
167.07005	0.5
169.04985	4.7
171.08075	0.6
173.06030	0.7
175.07538	1.4
177.05377	0.4
179.03418	0.4
179.07071	2.8
181.06516	0.8
184.07375	1.8
185.06050	0.7
185.07637	0.5
189.05473	0.7
191.07016	0.7
195.06485	0.7
199.07556	1.1
203.07033	3.2
205.08578	0.6
211.06062	1.0
217.08601	1.7
221.08115	1.8
222.22459	0.4
227.07095	0.8
227.39835	0.3
233.08147	0.8
245.08081	4.7
253.07074	2.5
263.09167	4.3
281.10272	0.8
290.29861	0.4
295.08194	1.8
313.09256	3.3
431.13196	0.6
455.85800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
51.26100	1.0
53.03944	4.1
55.01873	1.6
55.05515	4.5
56.75886	0.8
57.07068	4.1
58.06587	1.3
65.03938	2.2
67.01842	0.9
67.05510	8.5
69.03432	6.4
69.07063	6.2
70.06591	1.4
71.04982	1.0
73.02920	0.9
74.09669	0.9
79.05495	14.2
81.03421	11.6
81.07060	14.1
82.07400	1.0
83.04963	1.1
83.08607	1.8
84.04514	1.9
85.02908	7.9
85.06552	1.3
87.00827	2.9
91.05484	17.8
93.07050	13.2
95.04971	9.4
95.08604	10.3
97.02859	4.5
97.06503	5.0
97.10154	2.9
98.21531	2.1
99.04462	1.6
100.11285	4.6
103.05451	2.6
105.01878	2.0
105.04523	1.2
105.07034	24.6
107.04961	11.0
107.08598	7.3
109.02869	5.2
109.06528	5.5
109.10142	3.8
111.04479	1.9
115.05476	2.5
116.06238	1.5
117.07028	9.8
119.04860	0.9
119.08577	13.4
119.79807	0.8
121.06509	17.3
121.10150	34.5
123.04482	1.3
123.08073	2.8
123.11725	3.4
125.06026	1.3
127.03906	6.2
128.06197	2.7
129.07007	8.8
130.07805	3.6
131.08571	61.5
132.08966	1.2
133.06607	1.0
133.07571	1.2
133.10155	4.3
135.08038	1.7
135.11688	2.0
137.05998	1.8
137.09669	1.3
137.13272	1.2
139.11241	1.3
140.10704	3.1
141.06967	4.5
142.07758	3.8
143.08565	20.0
144.09364	6.4
145.04959	2.9
145.06473	5.3
145.10132	25.6
147.08134	1.1
147.11713	2.4
149.06009	2.1
149.13330	2.1
153.07048	4.4
155.08539	6.7
156.09341	4.1
156.13853	5.5
157.06491	1.2
157.10150	6.4
158.10919	22.3
159.02910	2.7
159.08099	4.7
159.11685	4.7
160.08774	1.1
161.13118	1.1
163.07509	2.1
167.08533	2.0
168.09270	7.9
169.10185	1.0
171.08044	1.7
171.11667	4.6
172.08804	1.5
173.08282	1.6
173.09663	16.1
173.13271	61.1
176.24333	0.9
182.15442	2.7
183.11702	17.6
184.13373	3.5
185.13330	1.1
186.10394	3.5
187.11250	1.0
201.12753	100.0
202.12952	1.3
210.14915	3.2
215.14281	1.2
219.13800	1.3
231.05055	1.2
237.81609	1.0
243.13893	2.3
259.09799	1.4
260.64053	1.0
284.23257	2.4
300.26468	1.9
305.24985	1.4
323.15848	0.9
369.11661	1.1
394.26956	1.9
414.14514	1.2
449.27921	1.1
449.34915	1.5
467.09363	1.4
467.19232	2.7
467.29642	2.2
467.35999	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.4
57.03426	1.4
57.07081	34.4
59.05008	4.5
65.03933	1.6
66.13127	0.7
67.05509	93.6
69.07066	7.4
71.04982	1.7
71.08635	21.2
71.53709	1.2
72.81306	0.8
79.05510	2.6
81.07062	26.6
83.08621	13.0
85.06548	3.5
85.10184	11.2
89.06022	0.9
90.77931	0.8
91.05476	6.0
93.07045	2.5
95.08615	21.1
97.10181	4.9
99.08078	1.1
107.08607	2.3
109.10164	69.2
110.23922	0.7
111.08067	2.0
111.11699	1.4
119.08598	4.4
123.11720	3.3
125.13310	1.1
126.38409	0.8
137.09599	3.3
137.13275	1.8
147.70419	0.7
151.14804	1.2
155.10719	4.8
156.01003	0.7
167.26357	0.8
173.11743	20.3
180.87503	0.9
239.23679	8.3
371.26257	1.0
411.20898	0.8
467.37378	100.0
468.37576	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	468.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
55.05506	1.1
56.05037	0.8
57.03427	1.2
58.06599	1.7
60.08168	15.1
66.17735	0.5
67.05510	1.3
67.35416	0.5
69.03434	1.3
69.07076	0.9
70.56390	1.2
71.04984	0.9
71.07376	6.1
79.05499	2.3
81.03430	3.7
81.07085	3.1
81.24244	0.6
83.04967	1.8
85.02917	3.0
86.09709	47.3
91.05466	1.5
93.07047	2.6
95.04974	1.7
95.08600	2.4
97.06529	2.5
98.98464	2.8
99.04459	1.6
104.10748	100.0
105.07031	2.8
107.08610	1.4
109.02860	1.7
109.06515	1.5
111.08047	1.1
119.08604	1.8
121.06525	4.5
121.10049	0.6
125.00007	26.3
125.06006	1.3
127.03922	1.9
131.08604	0.8
133.10155	2.0
135.08089	1.2
139.07513	1.3
143.06985	0.9
147.11667	3.0
157.10172	0.9
159.06525	0.8
161.13196	0.7
165.12772	1.2
169.12230	1.1
171.11784	0.9
173.09689	0.7
175.11191	2.3
184.07352	90.0
187.06065	0.7
189.12755	2.1
191.08183	4.6
193.12279	3.0
199.11191	2.0
205.07076	0.5
211.13321	2.2
217.12254	4.6
229.14383	1.3
235.13310	6.7
253.14359	9.8
258.10977	1.0
271.15375	2.7
284.49719	0.5
289.16486	1.6
305.05536	0.6
307.12863	1.2
325.14066	1.5
339.10489	0.6
361.16736	0.6
396.10138	0.6
397.18817	2.1
415.14664	0.8
415.19846	0.7
450.22528	7.6
451.17264	0.8
468.23608	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
57.03440	0.3
58.06607	0.3
59.07380	0.1
59.19098	0.1
60.08167	6.5
67.05509	0.3
69.29604	1.0
70.06589	0.3
71.04984	0.1
71.07378	2.8
79.05486	0.3
81.03414	0.4
81.07055	0.4
81.37275	0.1
83.04958	0.2
83.08622	0.1
85.02920	0.6
86.09710	30.0
91.05499	0.5
93.01879	0.1
93.07072	0.3
95.04952	0.3
95.08607	0.2
98.98463	2.5
104.10748	3.5
105.07014	0.3
109.06547	0.1
116.41443	0.1
119.08556	0.2
121.10204	0.2
123.08068	0.5
123.11738	0.1
125.00009	21.8
127.03953	0.2
133.10155	0.1
143.01096	0.2
147.11708	0.1
148.04845	0.1
184.07347	100.0
185.07678	0.5
185.27324	0.1
205.16876	0.1
220.05960	0.2
228.19362	0.1
258.10864	0.2
306.05832	0.2
450.22595	1.2
468.23605	7.9
470.15271	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	468.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.5
55.05511	2.6
57.03431	2.5
58.06616	2.0
60.08172	15.6
61.47648	1.3
67.05490	5.3
68.11143	1.6
69.03444	8.2
69.07059	6.0
70.90842	3.9
71.05006	4.1
71.07362	5.9
72.69405	1.4
79.05513	7.1
81.03417	8.3
81.07062	20.3
83.05006	9.9
83.08608	2.6
85.02895	6.8
85.06576	1.8
86.09711	52.6
91.05490	5.4
93.07048	19.3
95.01537	1.4
95.04961	7.4
95.08601	14.4
97.02898	6.6
97.06531	12.7
98.98477	4.7
99.04456	10.1
104.10748	92.6
105.07041	14.2
107.04981	3.1
107.08591	9.1
109.02895	9.8
109.06519	12.0
109.10157	2.7
111.08093	11.4
113.06021	3.1
119.08584	8.1
121.06496	22.6
121.10196	2.9
123.04409	2.3
123.11724	5.0
125.00005	28.8
125.06029	7.6
125.75626	1.3
127.03911	13.8
127.07574	2.7
129.07034	2.4
131.08582	3.5
133.06537	2.2
133.10161	8.4
135.04404	1.8
135.08037	4.3
137.05914	1.5
139.07520	8.5
143.07045	9.6
143.08559	2.0
145.10126	2.2
147.08073	1.8
147.11699	18.5
149.13249	1.7
151.11188	4.6
157.08752	2.7
157.10168	6.5
159.06609	3.4
161.13286	4.1
165.12686	7.4
169.04889	1.6
169.12257	12.3
171.11697	5.5
175.11206	15.6
181.10077	2.0
184.07346	100.0
187.06018	4.1
189.12733	13.4
191.08127	3.3
193.12251	16.5
199.11205	11.4
205.07133	3.7
207.13777	7.7
211.13280	16.0
217.12242	28.2
222.00273	1.4
229.14395	8.0
231.61447	1.5
235.13307	43.5
236.13449	1.4
253.14352	58.0
271.15359	13.8
289.16385	8.0
303.05002	2.9
304.05219	3.9
305.05524	4.2
306.05679	4.3
379.17462	5.8
397.18631	17.1
415.19800	7.8
428.21359	1.7
433.20505	3.8
450.22455	5.8
468.16904	2.6
468.23563	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.01861	3.8
55.05512	3.7
60.08173	12.4
67.05510	5.0
68.83122	2.2
69.03440	8.0
69.07071	7.8
69.40822	4.3
69.41228	9.2
71.04997	5.8
71.07375	6.7
79.05481	10.1
81.03432	13.7
81.07059	22.3
83.04990	13.7
83.08597	3.1
85.02910	8.3
85.06529	4.2
86.09710	39.9
91.05488	6.8
93.07043	23.0
95.04993	9.0
95.08615	21.7
97.02899	5.3
97.06529	15.8
98.21481	3.7
98.98473	4.0
99.04454	12.6
104.10751	66.2
105.07040	18.2
107.04942	3.0
107.08606	9.2
109.02888	13.7
109.06519	16.2
109.10157	3.7
111.08073	12.6
113.06047	4.2
119.08586	9.4
119.09300	1.7
121.05668	2.5
121.06522	35.8
121.10154	3.9
123.04439	2.5
123.08108	2.3
123.11700	5.4
125.00010	20.0
125.05998	11.4
127.03937	19.1
127.07554	5.2
129.06944	2.3
131.08601	4.1
133.10109	9.4
135.08035	6.7
139.07513	11.4
141.05516	2.9
143.07045	11.9
143.08525	2.6
145.10170	3.7
147.08049	4.6
147.11688	25.1
149.09613	3.0
149.13251	2.7
151.07639	1.6
151.11200	4.5
157.08611	6.1
157.10150	9.3
157.12119	1.7
159.06569	4.1
161.13280	5.4
165.12738	11.2
169.12233	16.0
171.11699	6.5
175.11185	21.5
181.10098	3.6
184.07344	100.0
187.06038	6.3
189.12758	14.4
191.08232	8.3
193.12247	20.7
199.11195	13.1
205.07123	4.8
207.13838	9.3
211.13286	19.5
217.12241	40.3
225.14885	2.0
229.14444	11.5
235.13295	50.9
253.14368	72.7
271.15448	19.7
289.16479	6.8
325.13846	2.0
361.16360	4.0
379.17465	5.5
397.18546	16.2
415.19681	12.8
433.20731	2.0
450.22614	4.8
468.23508	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	468.3091
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
55.05515	0.6
56.05031	1.2
57.03436	0.8
57.07078	3.0
58.06607	1.2
60.08170	16.7
65.28379	0.3
67.05495	0.6
69.07069	0.8
70.08137	0.3
70.08482	1.4
71.07381	6.4
71.08636	2.0
81.07048	1.1
85.10179	1.1
86.09713	46.2
90.99055	0.3
95.08646	1.7
98.98476	2.8
100.94994	0.3
104.10751	100.0
105.11092	0.4
109.10143	0.6
125.00017	25.1
125.47463	0.3
163.01543	0.5
184.07353	96.4
224.58112	0.4
258.11209	0.5
285.24304	3.0
319.29407	0.4
450.29855	9.2
468.30905	40.1
469.30884	0.5
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
55.05534	0.2
56.05041	0.4
57.03434	0.2
57.07079	0.9
58.06614	0.3
60.08167	5.7
67.05508	0.3
69.07076	0.4
71.07379	2.7
71.08631	0.6
71.52605	0.3
83.08601	0.2
85.10190	0.2
86.09708	27.3
87.10047	0.2
95.08620	0.4
98.98465	2.2
104.10749	2.5
114.35967	0.1
125.00009	18.4
166.02614	0.2
184.07346	100.0
185.07787	0.2
199.54208	0.2
285.24136	0.4
343.27780	0.2
389.46634	0.2
450.29822	1.2
468.30954	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.05510	7.6
57.07076	8.6
61.02925	3.5
62.09906	1.2
67.05508	28.7
69.03417	3.7
69.06727	2.1
69.07071	24.6
69.69045	1.4
69.71838	6.4
71.04953	1.8
71.08620	3.0
71.14738	1.4
79.05471	1.4
81.03390	1.9
81.06598	2.3
81.07058	39.9
83.04966	1.7
83.08621	17.9
85.02905	14.8
85.06525	2.5
85.10185	2.1
91.03916	1.5
93.07021	1.6
95.08611	67.9
97.02870	4.0
97.06512	1.5
97.10168	13.0
99.08082	2.1
107.08583	1.5
109.10158	37.0
111.11738	10.2
113.09647	1.4
121.10127	1.7
123.11709	19.4
125.13271	6.4
127.03952	2.6
137.13272	10.1
145.05037	2.9
147.89989	1.3
151.14777	5.5
163.03818	1.6
165.16391	1.5
173.03110	1.3
201.95396	1.3
207.21121	19.7
225.22142	100.0
235.20474	2.4
253.21654	3.4
269.96249	1.2
271.19989	2.6
271.22699	33.4
315.94904	1.2
415.25595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79076	0.5
53.03945	3.6
55.01873	1.3
55.05512	1.2
57.03432	1.9
60.08171	2.9
61.52541	0.5
69.03434	10.9
69.68198	2.2
71.01340	0.5
71.05000	5.7
71.07339	0.6
73.02915	0.6
73.83953	0.6
75.88767	0.5
81.03423	23.3
81.07034	1.5
83.04969	4.1
85.02898	2.0
86.09718	8.0
87.10054	2.2
91.05458	0.7
95.08624	0.7
97.06519	0.6
98.98451	0.7
99.04459	10.5
100.11251	1.0
103.03929	2.3
104.10751	14.1
105.06976	0.7
105.10478	0.6
105.11082	3.9
109.02885	9.8
117.05495	2.8
118.06543	3.0
121.06519	1.1
123.67021	0.6
124.99992	4.9
126.00417	0.8
126.16150	0.6
127.03945	2.9
145.07620	4.2
147.09164	6.2
147.35841	0.5
162.07858	0.9
163.08614	0.8
173.07117	7.3
175.08673	10.8
182.15462	1.1
184.07346	13.9
185.06209	0.5
185.07671	4.4
191.08159	100.0
192.08495	0.9
198.14917	0.8
204.08954	0.7
205.09714	0.8
213.10240	0.6
226.14468	0.6
231.11270	0.9
233.09290	1.1
236.13591	0.9
253.14407	0.9
254.14937	0.8
271.10757	1.9
289.11829	6.9
307.12897	36.6
308.13483	0.6
325.13956	29.9
331.12906	6.7
349.13919	6.6
354.23587	1.1
371.16138	1.4
389.16968	3.5
397.13916	4.8
407.18301	1.1
415.14969	11.1
433.16104	11.7
451.17172	13.2
451.22913	1.6
452.31085	0.9
469.23953	7.5
469.33606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
53.24291	1.4
55.05509	3.0
57.03433	3.9
57.07066	1.9
60.08152	1.5
61.02913	2.1
65.66075	1.5
67.05505	4.8
69.03439	11.2
69.07053	3.5
69.23479	13.4
70.06614	2.0
71.04977	5.7
73.02927	2.4
79.05497	5.2
81.03426	21.9
81.07071	7.3
81.15652	1.5
83.04977	3.6
83.08627	3.1
85.02912	63.4
85.06553	1.7
86.09703	5.6
87.04473	2.4
91.05467	3.8
93.07030	2.0
95.04968	1.9
95.08631	4.0
97.02896	32.2
97.06533	5.4
97.10113	1.5
99.04464	39.4
99.08074	1.6
100.11272	1.5
103.03948	69.1
104.10721	5.2
105.07004	3.3
107.08585	3.2
109.02880	19.2
109.06545	1.5
109.10200	2.0
111.04444	2.5
111.08072	2.0
117.03368	1.5
119.08575	1.6
121.10134	2.1
125.00005	3.0
127.03925	100.0
131.08565	3.2
145.04976	62.0
147.11699	2.1
149.09616	1.6
149.13191	1.3
152.05644	1.8
156.18674	1.5
159.10164	6.7
162.23030	1.4
163.03917	2.6
163.06020	48.6
163.07397	2.6
164.04137	1.6
173.13263	4.8
175.11102	1.5
184.07343	13.9
187.05997	6.6
193.12277	4.9
198.14821	2.2
209.15376	2.5
210.14902	3.8
211.13364	12.2
215.07076	1.9
225.16344	1.3
227.16377	4.3
255.15932	4.1
271.08136	12.5
273.17026	2.4
277.10812	1.5
278.11078	3.5
289.09180	9.0
291.18054	1.6
307.10345	10.0
355.22430	1.9
399.16602	1.9
439.58395	1.4
470.25925	1.5
470.32498	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	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.6
55.01867	7.1
55.05499	5.4
57.03429	10.1
61.02915	6.1
67.05490	7.8
69.03434	40.0
69.07059	7.2
70.06586	6.6
70.47304	5.6
71.04999	13.8
73.02908	6.1
79.05495	9.8
81.03425	44.7
81.07069	5.4
83.01319	2.2
83.04977	13.0
85.02912	56.8
86.09705	4.8
87.00835	24.4
87.04491	2.4
91.05496	14.7
93.07056	15.6
95.04967	22.9
95.08625	12.9
97.02895	28.1
97.06537	3.0
99.04459	47.1
103.03954	3.0
105.01861	14.4
105.07037	28.0
107.04934	3.7
107.08591	24.0
109.02893	37.7
109.06529	9.5
109.10167	6.6
111.04474	3.1
111.08076	3.2
117.07026	9.2
119.08594	54.3
121.06521	11.0
121.10148	9.3
123.08076	13.5
123.11625	2.5
125.09641	3.4
127.03918	51.3
129.01865	2.5
129.06955	5.3
130.07744	4.5
131.08583	10.6
133.06538	2.6
133.10146	20.0
135.08063	12.1
135.11708	8.4
137.06004	2.8
137.09633	17.4
143.08554	7.4
144.09373	5.1
145.04987	15.8
145.06491	4.1
145.10144	27.1
147.02876	4.4
147.08066	18.3
149.05991	3.1
149.09644	10.7
149.13232	3.0
151.07585	3.6
151.11211	2.5
153.09114	5.3
157.10103	4.0
159.02917	13.9
159.08005	4.0
159.11711	42.8
161.09650	22.1
161.13289	31.6
163.07544	4.6
163.11208	40.6
165.09123	50.5
169.09991	2.5
173.09532	3.0
175.11206	4.0
177.12758	19.6
179.10692	22.9
187.11201	51.4
188.11989	3.7
189.12756	3.1
203.10675	3.5
205.12248	100.0
207.10214	2.9
207.13782	4.5
213.03946	3.0
221.11687	5.4
223.13290	99.2
224.44193	2.3
231.05006	7.8
245.91782	2.2
246.14206	2.3
247.13231	4.1
251.12842	4.0
257.99777	2.2
271.86136	2.1
417.15521	2.4
427.19543	9.9
435.16522	5.4
453.17426	5.2
471.18735	62.6
471.25369	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	471.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	6.1
54.73669	1.1
55.01891	6.5
55.05518	7.7
57.03437	5.2
61.02924	3.6
67.05512	7.2
68.99773	1.6
69.03094	1.6
69.03439	28.2
69.07069	1.9
69.84027	6.2
70.06594	2.2
71.05004	9.9
73.02914	4.9
79.05496	7.2
81.02988	2.1
81.03427	25.6
81.07062	9.2
83.04995	29.7
83.08621	2.1
84.28210	1.1
85.02914	46.0
85.06570	2.1
86.09701	1.8
87.00838	19.4
91.05482	10.9
93.07052	10.3
95.04974	24.6
95.08623	17.0
97.02904	17.2
97.06556	13.7
98.26088	2.0
99.04468	31.2
100.07611	4.9
100.11270	12.2
103.03947	1.7
105.01868	11.2
105.07043	39.4
107.04951	1.6
107.08608	24.6
109.02890	26.1
109.06528	5.8
109.10165	2.2
111.04431	3.9
111.08083	1.5
115.03945	1.6
115.43153	1.1
117.01895	2.4
117.07013	4.6
119.04935	1.7
119.08596	26.0
121.06516	8.3
121.10131	5.4
123.08087	39.3
125.05982	2.8
125.09641	12.4
127.03923	35.3
128.06206	1.4
129.01868	2.4
129.06984	3.1
130.07780	1.9
131.08624	6.8
133.06459	1.2
133.10172	9.0
135.08044	9.7
135.11691	3.9
137.05890	1.3
137.09627	5.0
141.09155	7.8
143.08551	2.9
144.09335	3.4
145.04968	12.8
145.06464	1.9
145.10133	14.4
147.02876	1.6
147.08035	11.2
147.11688	1.2
149.06009	8.7
149.09618	4.8
149.13261	3.4
151.07587	2.7
157.10094	1.6
159.02908	11.6
159.08078	2.8
159.11703	36.2
161.09616	9.0
161.13295	8.6
163.07556	5.9
163.11214	13.2
165.05382	1.4
165.09126	62.1
167.07115	1.7
169.10094	2.2
177.12769	18.3
179.10670	12.0
182.15430	4.2
184.07350	3.1
185.07661	2.0
187.11247	7.0
203.10738	1.9
205.12262	67.4
207.13786	2.3
209.16484	3.0
210.14911	6.4
213.03912	3.4
221.11781	1.3
223.06047	9.9
223.13312	100.0
224.13620	1.5
231.04898	5.7
299.15146	1.3
471.18411	7.3
471.35788	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28088	0.5
53.03954	4.2
55.01875	4.5
55.05503	1.0
57.03439	3.9
59.04970	0.5
61.02930	3.2
66.81227	0.5
67.05502	2.1
68.99786	1.9
69.03433	19.5
69.07066	1.1
69.15916	4.2
71.01350	0.5
71.05000	3.9
73.02925	4.0
79.05495	2.3
81.03425	17.8
81.07050	2.1
81.50686	0.5
81.87659	0.5
83.01338	0.5
83.04987	6.3
85.02909	42.5
85.06550	0.6
86.09700	2.8
87.00830	17.1
87.04475	0.6
91.03961	0.9
91.05479	1.3
93.07028	2.8
95.04970	1.7
95.08606	4.3
97.02897	14.7
97.06526	2.1
99.04465	8.5
99.08092	2.7
101.20403	0.5
103.03951	0.7
105.01876	13.2
105.07019	2.3
107.04964	0.7
107.08574	2.6
109.02888	19.1
109.06517	10.6
109.10130	1.1
109.11295	0.4
111.04431	5.4
111.08112	0.5
115.03932	0.7
117.01851	2.5
117.37790	0.5
119.08589	3.3
121.06503	2.1
121.10145	5.4
123.08073	100.0
124.08360	0.6
125.05984	1.4
125.09635	1.7
127.03924	32.3
127.07549	1.0
129.01819	2.5
131.08549	0.5
133.10135	1.4
135.08043	0.9
135.11710	1.3
137.09601	0.8
137.13213	0.5
139.11145	0.7
145.04962	12.7
145.10109	1.0
147.02881	1.8
147.08025	0.9
147.11684	1.9
149.09624	6.0
151.07568	1.3
151.11197	4.6
159.02904	10.7
161.13257	1.3
163.11174	2.1
165.09200	0.6
165.12762	1.8
167.10649	5.1
171.11703	0.5
177.03998	0.7
177.05406	0.5
181.12230	7.5
189.03899	0.7
189.12761	2.2
197.82217	0.4
201.12425	0.8
205.12256	1.7
207.13808	10.8
213.03946	1.4
224.25809	0.5
225.14874	31.0
229.12010	0.6
231.05014	7.0
288.89755	0.4
305.85110	0.4
320.35062	0.5
348.04291	0.4
378.68707	0.5
411.20187	0.6
437.17706	0.7
473.20343	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	473.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
53.21664	0.9
55.01866	3.8
55.05498	3.1
57.03426	1.9
57.07076	1.4
57.88613	0.9
59.56799	0.8
63.02290	1.0
67.05505	7.9
68.76060	0.9
68.99772	1.1
69.03432	30.4
69.07072	5.8
71.04997	2.2
71.06457	1.8
72.08157	2.5
79.05501	5.4
81.03420	8.3
81.07051	7.9
82.70835	0.9
83.04964	1.7
85.02899	9.1
86.09715	5.2
87.00819	3.7
87.04414	1.1
91.05502	2.4
93.07063	6.1
95.04983	7.0
95.08600	6.8
97.02882	4.1
97.06521	3.8
99.04453	2.6
105.01869	1.9
105.07028	10.9
107.04943	1.7
107.08603	3.8
109.02866	4.8
109.06510	7.5
109.10156	3.5
110.07303	1.3
111.08082	3.6
117.01890	1.0
119.08587	8.7
121.06519	2.2
121.10164	8.5
122.07318	0.8
123.04425	13.4
123.08060	9.8
125.09706	1.1
127.03909	5.9
133.06497	3.2
133.10139	18.2
135.08090	1.3
135.11649	1.6
137.06006	2.9
137.09615	12.2
139.11201	12.8
145.04965	2.2
145.10103	2.4
147.08025	2.1
147.11684	10.5
147.90479	1.0
149.09625	1.7
151.07578	4.2
151.11147	0.9
156.09360	3.1
159.11717	1.9
161.13277	6.2
163.11183	6.1
165.09242	1.1
167.10698	1.0
171.11737	5.0
174.10448	3.2
177.12729	1.0
179.14374	1.2
189.12769	17.1
205.12285	1.9
207.13811	81.3
208.14088	1.6
225.12634	1.5
225.14861	29.8
231.04958	1.2
240.88823	0.9
311.14813	1.8
351.17850	1.0
371.96674	0.9
411.20001	4.9
413.17770	5.7
473.19989	100.0
474.20233	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01883	4.9
55.05503	1.4
57.03442	4.4
61.02942	3.1
67.05495	1.7
68.99794	2.4
69.03436	23.5
69.45544	1.3
69.45952	3.1
71.04996	3.2
73.02920	3.4
73.05948	0.5
73.33316	0.5
73.47874	0.5
79.05489	1.6
81.03428	20.3
81.07066	2.1
83.01330	0.6
83.04978	6.1
83.08644	0.5
85.02911	45.5
86.09723	3.9
87.00838	19.7
91.03991	1.1
91.05473	1.3
93.07053	1.9
95.04972	2.2
95.08597	3.6
97.02898	17.3
97.06510	1.3
99.04465	8.9
99.08092	8.6
103.03909	0.9
104.27086	0.5
105.01870	14.3
105.07030	2.3
107.04987	0.7
107.08614	3.0
109.02891	22.9
109.06525	21.5
111.04453	10.2
115.03951	1.1
117.01859	2.6
119.08582	2.7
121.06525	3.6
121.10175	4.5
123.08078	100.0
125.06005	0.7
125.09637	3.9
127.03928	34.0
129.01830	2.8
131.04947	0.7
132.05693	0.7
133.10172	0.9
135.11694	0.7
137.09651	0.6
139.11238	0.6
145.04977	12.6
145.10080	0.7
147.02859	1.7
147.11737	2.6
149.09648	7.7
151.07559	1.2
151.11217	2.3
159.02908	9.6
161.13261	1.0
163.11197	1.8
165.09091	1.1
165.12776	1.4
167.10707	6.5
177.05524	0.6
181.12254	9.5
189.03979	1.3
189.12770	2.0
191.07047	1.0
192.07851	2.6
205.12254	1.1
207.13824	12.9
213.03998	1.3
225.14871	33.1
231.04987	6.7
473.30685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05503	3.2
57.07068	6.1
65.03930	2.2
67.05511	19.5
69.03461	6.9
69.57051	8.8
74.65353	1.3
79.05505	4.1
81.03423	4.6
81.07053	2.5
83.04954	2.0
85.02921	13.0
85.06541	10.8
87.00834	8.5
91.05488	3.9
93.07065	8.0
95.04971	2.7
95.08611	100.0
97.02905	4.7
98.21487	2.6
99.04449	1.5
105.01846	9.5
105.07024	8.2
107.08601	9.8
109.02895	4.4
109.06511	3.1
109.10143	3.5
112.29653	1.3
113.06020	10.8
119.08586	18.6
121.06525	2.7
121.10169	9.1
123.08073	36.4
123.11655	1.7
127.03902	9.3
131.08553	2.4
133.10139	3.4
135.08133	1.3
135.11707	14.4
137.09613	7.2
145.04973	4.2
147.08052	3.7
147.11696	6.8
149.08427	2.1
149.09624	43.6
151.07558	2.3
151.14824	4.2
159.02817	1.5
161.13258	16.1
163.11249	9.6
165.09068	2.2
165.12810	7.7
171.11717	3.6
174.10352	2.2
179.14340	4.0
189.12766	18.4
205.19838	1.4
207.13814	81.9
225.14833	10.2
231.05101	3.1
249.06081	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	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46094	1.2
53.03933	2.1
55.01870	2.2
55.05502	2.7
55.66076	1.3
57.03446	1.3
57.07073	3.5
65.03941	2.2
67.05178	1.9
67.05511	24.0
69.03434	9.9
69.07062	3.2
69.96497	6.6
71.04974	2.4
72.08187	1.4
73.46251	1.1
79.05486	4.3
81.03417	4.4
81.07042	2.9
83.04967	2.1
85.02908	15.8
85.06553	14.5
86.09711	2.4
87.00837	6.8
89.20368	1.3
91.05470	5.3
93.07046	10.8
95.04971	3.5
95.08613	100.0
97.02904	5.3
99.04509	1.5
105.01861	10.2
105.07036	7.7
107.04964	1.4
107.08617	10.9
109.02875	5.7
109.06503	4.4
109.10173	3.1
113.06010	13.0
119.08583	17.6
121.06518	1.4
121.10143	9.1
123.08073	37.9
123.11711	2.6
127.03936	10.5
129.07004	1.6
131.08600	2.1
133.10120	3.7
135.08063	1.5
135.11710	16.3
137.09575	3.2
139.07565	1.4
145.04930	4.1
147.08051	2.4
147.11694	5.1
149.07494	8.4
149.09624	34.9
151.07555	3.6
151.14854	4.6
153.05412	2.8
159.40028	1.4
161.09665	1.3
161.13281	12.2
163.11230	9.2
165.09117	2.7
165.12755	6.1
171.11742	1.9
179.14377	3.6
181.12239	1.7
189.12762	16.7
195.06474	1.7
207.13820	88.9
225.14923	7.2
231.05023	2.4
473.14499	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01862	2.7
55.05507	3.7
57.02320	0.8
57.03431	1.5
59.04986	2.9
61.02905	1.3
67.05508	7.8
68.08336	0.8
69.03431	6.5
69.07059	3.6
69.80661	3.6
71.04977	2.4
72.08154	2.3
72.36626	0.8
72.62546	0.8
73.02927	1.1
73.03312	0.9
78.78466	0.8
79.05502	5.0
81.03428	6.6
81.07064	6.6
83.04977	2.3
85.02913	11.6
86.09705	8.3
87.00850	4.2
91.05486	7.6
93.07062	5.4
95.04945	4.4
95.08601	6.1
97.02891	5.5
97.06526	2.0
99.04450	3.7
103.03936	3.3
105.01886	4.3
105.07030	10.3
107.04957	4.3
107.08604	10.3
109.02848	4.0
109.05807	1.5
109.06522	24.1
109.10151	10.9
111.08108	1.3
117.07011	1.2
119.08588	13.5
121.06476	3.8
121.09474	0.9
121.10168	8.6
122.07318	2.3
123.04388	1.9
123.08060	6.6
123.11684	1.6
125.09644	1.6
127.03940	11.0
129.06941	1.2
131.08575	2.6
133.06436	2.0
133.10132	5.7
135.08063	13.9
135.11676	1.5
137.09624	100.0
138.09952	1.0
145.04988	5.3
147.08031	4.9
147.11705	8.2
149.09631	11.6
151.07614	1.9
151.11256	1.1
153.09113	5.6
156.09271	1.9
157.57942	1.1
159.02898	1.4
161.09605	1.8
161.13281	10.2
163.11166	2.7
165.12743	3.3
167.10695	1.1
171.11697	3.8
174.10292	1.3
179.14319	4.1
189.12738	18.5
191.14352	1.3
207.13812	45.4
215.13950	1.4
225.14874	19.0
229.11996	1.2
231.05055	1.9
267.16104	1.1
287.25021	1.0
329.03232	1.7
432.81552	1.0
473.14154	1.9
473.19998	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.4
55.01875	8.1
55.05513	1.9
57.03452	5.5
61.02928	4.1
67.05498	3.1
68.99784	3.1
69.03432	29.9
69.07074	1.4
69.55715	3.1
69.56148	3.6
70.06591	9.1
71.05001	5.3
73.02916	7.4
79.05486	3.4
81.03423	33.6
81.07055	3.2
83.04984	3.1
85.02908	49.4
86.09698	4.1
87.00831	24.3
87.04465	1.8
87.33464	1.1
91.03947	1.6
91.05463	6.6
93.07055	7.0
95.04974	7.3
95.08607	4.5
97.02899	30.5
97.06560	1.0
98.21499	1.4
99.00842	2.3
99.04452	14.1
105.01881	13.8
105.07036	10.1
107.04961	2.3
107.08595	8.2
109.02884	28.1
109.03608	2.2
109.06540	3.0
109.10143	3.1
111.04453	2.3
112.68925	1.1
115.03952	1.3
117.01865	4.4
117.05618	1.3
117.07024	2.2
119.04969	3.9
119.08591	15.4
121.06513	3.2
121.10142	11.0
123.08079	11.7
125.09695	1.1
127.02972	2.3
127.03920	47.1
129.01822	5.3
129.07022	1.9
131.08566	4.1
133.06450	1.6
133.10138	5.6
135.08075	5.8
135.11700	2.3
137.06004	1.4
137.09650	5.1
142.07684	1.1
143.08583	2.5
145.04970	20.4
145.10153	6.7
147.02838	2.5
147.04404	2.9
147.08070	2.9
147.11693	11.3
149.09628	7.6
151.07561	2.0
151.11186	1.1
156.09317	1.7
157.10217	1.4
159.02899	14.7
159.11697	2.7
161.09654	2.8
161.13255	3.2
163.11201	17.9
165.12750	3.7
165.26260	1.0
167.10684	45.2
171.11618	1.3
175.11096	1.4
179.10684	1.3
181.12300	5.4
185.09662	1.2
187.11136	3.0
189.12759	11.7
191.14299	1.5
193.12343	1.6
205.12274	4.6
207.13809	100.0
213.03914	2.4
223.13252	1.5
225.14880	12.6
229.15350	1.4
231.05026	9.4
265.14343	1.5
271.13120	1.4
275.07477	1.5
289.14484	2.6
367.17288	1.3
375.14508	2.4
393.15271	3.0
411.16434	11.1
429.17496	3.2
473.20319	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1736
Annotation	Raloxifene
Peak:m/z	Relative Intensity
63.59823	0.3
69.85162	0.5
69.85570	1.1
72.08109	0.4
72.71527	0.2
77.47631	0.2
78.43240	0.2
86.09663	0.2
92.93887	0.3
95.06069	0.5
97.06468	0.3
104.04997	0.5
105.03340	0.4
105.05739	0.7
106.06489	0.3
111.04923	0.3
111.05567	3.3
120.03768	0.3
120.04484	2.3
123.05517	0.6
125.05846	0.6
125.49035	0.3
126.06647	2.0
132.04465	22.2
134.06021	4.7
137.04730	1.3
146.02272	0.3
148.61708	0.2
150.05594	0.3
151.06157	8.8
152.04594	0.3
159.05487	0.4
160.07394	0.4
165.07710	0.3
166.07390	0.3
177.04041	0.3
194.06752	4.3
195.07484	1.0
202.09714	1.5
208.08281	0.3
214.09770	0.3
216.11325	0.8
227.09337	0.4
230.09262	1.5
232.10831	0.6
242.09265	4.5
255.08748	0.3
257.10333	4.4
258.08734	0.4
259.11911	10.2
284.11453	6.6
302.12509	12.5
327.11960	3.5
345.13077	100.0
346.13504	1.6
456.16446	1.6
474.17361	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	474.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.31149	0.4
55.05510	0.7
57.24451	0.4
67.05501	1.4
69.03429	1.1
69.07053	1.5
69.41895	1.4
69.42320	1.8
70.06597	0.6
71.73611	0.4
79.05490	2.1
81.03420	0.9
81.07053	1.8
83.08619	0.6
84.04502	1.0
84.08131	0.8
85.02884	1.1
85.06516	0.5
86.09714	0.7
89.03917	6.7
91.05466	1.4
93.07065	1.0
95.04984	0.7
95.08619	0.9
97.02879	0.8
97.06544	3.0
100.11238	0.5
103.03950	0.6
103.11530	0.5
105.07027	0.9
107.04954	2.3
107.08619	0.8
109.10164	1.0
117.03384	7.6
117.07063	0.5
119.04951	0.9
119.08589	0.6
121.10162	0.6
125.09615	0.7
127.03937	1.2
129.07018	1.0
130.05078	0.7
131.04962	0.5
131.08557	0.9
133.10162	0.7
135.04428	17.5
136.05914	0.5
136.07584	0.8
139.03917	1.1
145.02859	12.0
147.04431	0.7
148.06059	0.8
154.08607	0.5
157.10133	0.9
159.04456	0.6
161.05997	0.9
163.03915	100.0
164.04201	0.9
165.09048	0.8
167.08549	0.7
181.04971	1.7
185.09711	0.6
187.07498	0.7
189.09103	0.6
195.08127	2.0
195.10144	0.8
201.09221	0.5
213.09087	3.6
215.07056	1.1
217.08563	0.5
227.13026	0.4
231.10242	1.3
241.08617	1.8
249.11371	0.5
254.85405	0.5
259.09561	2.7
277.10782	1.9
282.98935	0.5
420.27896	0.6
474.25986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	3.4
54.18336	0.6
55.05508	2.3
56.78757	0.6
57.03444	13.7
57.07080	34.5
58.27889	0.7
61.02929	1.2
62.21935	0.8
67.05511	1.2
69.07069	0.8
70.06598	0.9
70.10252	1.4
70.10674	2.5
71.01354	1.0
73.02926	1.8
77.03955	1.1
79.05499	8.2
81.03427	1.1
81.07055	1.4
83.08633	0.7
85.02910	7.3
85.06548	33.8
91.05494	1.3
92.21085	0.7
93.07061	1.2
94.93533	0.7
95.01337	2.3
95.04980	3.0
97.02901	1.4
97.06519	0.8
97.10184	0.7
99.04503	1.0
100.11264	3.6
103.03932	1.5
103.07593	8.1
105.03400	100.0
105.07024	1.0
106.03747	0.9
107.08606	0.9
111.04470	1.1
113.02374	3.2
113.89609	0.7
120.57451	0.7
123.04439	13.4
128.07115	0.9
131.03400	2.1
135.04346	1.0
139.71555	0.7
141.01843	5.5
141.18124	0.7
145.05008	1.0
145.10010	0.7
150.71307	0.7
156.13858	2.0
159.10179	97.5
163.03952	4.9
165.09084	3.9
166.09566	0.7
168.13902	1.3
169.08659	0.9
179.07047	91.3
182.15379	1.4
184.13397	1.4
196.13379	1.3
197.08168	1.9
210.14867	2.0
238.00372	0.7
261.09720	4.7
263.12802	46.8
281.13855	2.5
335.13400	3.0
348.83163	0.7
355.10193	1.6
437.82721	0.8
474.36728	1.6
475.26779	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
56.06900	0.3
57.03429	0.9
61.79594	0.3
66.12943	0.3
69.03439	2.0
69.07069	0.7
69.86457	0.4
69.86727	1.6
73.02910	0.3
73.48338	0.3
81.03393	0.3
85.02913	5.2
86.03233	0.3
86.09714	100.0
87.10051	0.4
97.02877	1.6
98.20852	0.6
109.02902	0.5
114.74676	0.3
127.03924	3.8
132.10216	88.1
133.03600	0.3
133.10506	0.4
143.01915	0.6
144.01942	0.4
145.04959	2.6
155.01900	0.7
161.03041	0.3
163.05980	0.5
167.01926	0.4
173.02997	0.5
183.05072	0.3
183.55049	0.4
185.02962	0.6
203.03941	0.7
245.05063	0.5
246.05251	1.0
247.04839	0.7
263.05954	0.4
264.57773	0.7
273.58386	0.9
274.08267	0.6
274.58282	0.7
275.05844	0.4
279.43326	0.3
345.13120	1.0
366.19186	0.3
367.08875	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.3
53.03928	0.5
55.01835	0.7
55.05509	2.2
55.58838	0.2
57.03415	0.4
63.02347	0.6
65.03918	0.3
67.05506	3.3
69.03439	1.4
69.07032	1.1
69.37869	0.2
69.38190	2.2
71.04974	0.4
77.03889	0.6
79.05499	4.6
81.03417	3.8
81.07056	3.0
83.04939	0.8
83.08591	1.0
85.02881	0.8
89.03918	8.0
91.05486	2.8
93.07049	2.8
95.04970	2.6
95.08610	2.0
97.02869	0.7
97.06488	0.7
97.10143	0.8
99.04435	0.7
99.08041	0.3
103.05458	0.4
105.03363	1.1
105.07056	1.8
107.04968	3.3
107.07998	0.2
107.08596	2.1
109.02860	0.8
109.06466	0.5
109.10152	1.1
111.04466	0.4
111.08087	0.3
115.05404	0.3
117.03384	9.6
117.06985	0.8
119.04919	0.5
119.08596	1.4
121.02851	0.5
121.06499	1.0
121.10168	1.2
123.03586	0.5
123.04433	7.6
123.05329	0.4
123.08054	0.7
123.11722	0.5
125.09648	1.0
127.03896	0.7
128.06238	0.4
129.07019	0.9
131.04893	0.9
131.08557	1.1
133.02853	7.6
133.06512	0.9
133.10095	1.1
135.04422	17.9
135.08061	0.8
135.11678	1.3
137.02362	1.2
137.09528	0.4
139.07564	0.3
142.07753	0.3
143.08580	0.7
145.02855	12.0
145.03870	0.4
145.06491	0.7
145.10120	1.6
147.04388	1.2
147.08032	0.7
149.05901	0.3
149.09648	0.5
151.03902	4.9
151.11247	0.4
153.06923	0.3
153.09077	0.3
155.08632	0.6
157.10097	0.7
158.06075	0.3
159.04433	0.6
159.08098	0.5
159.11624	0.5
160.05234	1.7
161.02415	0.4
161.05983	1.0
161.09645	0.4
163.03908	100.0
163.11201	1.7
164.04231	1.0
165.06982	0.8
165.09067	1.2
167.08562	0.5
167.33260	0.3
169.10150	0.6
171.07996	0.4
171.11732	0.5
173.02362	2.9
173.09639	0.5
175.11171	0.4
177.05519	0.3
177.09190	0.3
177.12798	0.3
179.08511	0.4
181.06459	0.6
181.10120	0.5
181.12154	0.2
183.11711	0.3
185.09691	0.5
185.13298	0.4
186.05495	0.6
187.07468	0.4
187.11203	0.8
189.09064	0.6
191.03383	0.9
191.10667	0.3
193.06538	0.5
193.12234	0.9
195.08188	0.4
197.06039	0.4
199.11145	0.4
201.09059	0.4
201.12773	0.3
205.06522	0.7
205.12354	0.2
209.11768	0.3
211.07602	0.7
211.11217	0.5
213.12802	0.5
215.10748	0.3
221.06000	1.6
223.07603	0.8
225.12766	0.4
227.12779	2.8
229.39383	0.2
231.13638	0.3
233.06142	0.3
237.05309	0.5
239.07129	0.9
239.14378	0.3
243.06506	0.3
243.13873	0.5
247.13310	0.4
249.05508	1.2
250.06296	0.9
251.07120	1.1
255.06584	1.8
255.17587	0.4
263.07077	0.3
265.05148	0.5
265.15851	0.7
267.06528	2.1
267.13925	0.5
267.17514	0.6
268.07312	4.6
269.08197	0.8
269.15363	0.3
270.09012	0.3
271.13208	0.4
277.05182	0.4
279.06628	0.6
283.05887	0.3
283.16916	2.8
285.19061	0.3
289.14389	0.9
291.06638	1.0
295.06000	7.4
295.17075	1.0
296.06830	0.6
313.07031	2.6
313.18066	2.4
314.07919	0.6
319.06073	1.4
321.07773	0.5
337.07581	0.5
347.05231	1.2
355.22620	0.3
365.21326	0.7
383.22253	3.4
393.07614	0.3
401.23120	1.2
411.08948	0.5
421.24023	0.4
429.09964	0.7
431.07712	0.3
431.24469	0.7
439.07938	0.2
457.09332	0.6
457.26465	2.5
475.10120	1.7
475.27216	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	475.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
55.01881	3.0
55.05489	1.0
57.03438	0.7
61.02919	0.4
62.26548	0.4
65.03938	1.5
65.52984	0.5
67.05491	1.7
68.99786	0.8
69.03432	4.2
69.07049	0.7
70.06576	1.2
71.04984	1.0
71.51655	0.8
72.08162	5.3
73.02924	19.7
73.71557	0.4
76.35070	0.5
76.51789	0.4
79.05489	0.8
81.03425	5.3
81.07047	0.9
82.04198	0.6
83.04977	1.7
84.04504	1.1
84.08163	0.9
85.02914	11.0
85.06529	0.6
86.06047	0.4
86.09710	7.2
87.00838	4.5
91.05486	1.2
93.07058	1.2
95.04962	2.1
95.08613	1.6
97.02916	4.3
97.06542	0.8
97.16689	0.5
99.04434	1.7
102.05534	0.8
105.01876	2.9
105.07034	1.3
107.08603	1.4
108.02085	0.9
109.02914	2.9
109.06513	0.7
109.10168	2.8
117.01815	0.6
119.08595	1.4
121.06470	1.3
121.10152	1.1
123.04449	5.7
123.08059	1.0
125.05994	0.9
125.09598	0.6
127.03929	5.6
130.15891	0.6
131.08578	0.8
132.10167	0.5
133.10139	1.0
137.09595	1.6
140.03607	1.2
140.04697	24.1
141.05077	0.7
142.02654	1.1
145.04970	2.0
147.11673	0.8
148.05992	0.9
149.05980	0.8
151.03912	0.6
153.05440	0.9
155.07042	45.6
159.02888	2.1
163.11188	0.5
171.06548	1.2
173.08102	1.6
173.13237	0.7
177.05479	2.2
179.07004	1.5
179.14337	1.7
181.04970	49.1
181.08372	2.6
187.10866	0.6
191.14357	0.6
201.12366	1.5
209.08101	14.2
209.15421	4.8
215.10310	1.2
227.09158	100.0
227.16447	2.1
228.09503	1.0
229.11868	1.3
231.05096	0.6
247.12758	0.8
261.14450	1.7
467.44675	0.5
475.17587	2.3
475.23950	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
53.49412	0.9
55.01870	4.2
55.05505	2.2
57.03436	1.6
57.84051	0.8
59.23673	1.1
61.02914	1.1
63.65514	1.3
65.03938	2.2
67.05499	3.6
69.03434	6.6
69.07067	1.5
70.06586	2.1
71.05038	1.2
71.51701	1.0
72.08157	7.3
73.02917	13.6
74.06091	1.1
81.03429	6.0
81.07065	2.6
83.01336	0.9
83.04968	4.6
84.04491	1.3
84.08140	4.0
85.02916	13.5
85.06555	2.2
86.09714	10.9
87.00818	5.9
91.05495	2.4
93.07056	3.9
95.04962	5.0
95.08616	4.1
97.02880	4.6
97.06521	1.7
97.65911	1.0
99.04469	1.9
100.08037	0.9
101.06046	1.4
102.05553	1.4
103.05479	1.5
105.01873	3.1
105.07023	2.5
107.08597	3.4
109.02905	3.8
109.10158	6.9
111.08084	1.2
119.08598	3.4
121.06529	3.7
121.10107	2.5
123.04449	4.7
123.08079	3.0
125.09603	2.1
127.03929	9.1
129.01860	1.1
129.10225	2.5
133.10126	2.2
134.41562	1.0
135.08066	1.2
137.09634	5.0
140.04703	24.2
145.04990	2.7
145.10162	0.9
147.11690	1.6
149.06024	1.6
149.09700	1.0
149.13214	0.9
151.03896	2.0
151.11208	1.3
155.07039	34.8
159.02937	3.5
161.13310	1.3
163.11224	1.0
165.12737	0.9
168.50911	1.0
169.47690	1.0
171.06650	1.1
173.08162	1.1
177.05511	4.8
179.14360	5.6
181.04971	39.9
181.06564	2.1
181.08589	3.8
191.14377	2.0
201.12343	2.2
203.94720	0.9
207.13893	1.4
209.08083	11.2
209.15410	10.0
215.10425	1.1
227.09160	100.0
227.16460	4.1
229.11906	1.5
243.13470	1.5
261.14493	1.9
344.14273	1.1
408.07364	0.9
475.18118	4.3
475.23807	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	475.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01870	1.3
55.04796	0.8
55.05506	2.1
56.31379	0.9
57.03425	1.1
61.02951	1.8
62.97315	1.0
65.03944	1.6
66.06863	1.0
67.05513	4.5
69.03432	7.5
69.07057	1.9
69.34340	6.8
71.04993	12.6
73.02907	1.1
73.88097	0.8
79.05478	1.7
81.03426	9.6
81.07066	5.1
83.08621	2.7
85.02905	22.0
85.06542	2.7
87.00825	5.4
91.04038	1.1
91.05490	1.9
93.07036	7.6
95.04972	79.3
95.08618	4.7
97.02896	6.8
97.06529	2.1
98.20711	1.7
99.04459	61.7
99.08101	1.6
103.03951	8.0
105.01893	4.9
105.07061	5.2
107.08621	7.7
109.02888	5.9
109.06519	2.7
109.10147	7.3
111.08057	2.2
115.07574	2.7
119.08572	3.0
120.08102	1.9
121.02866	2.1
121.10154	3.8
123.08055	2.1
123.11734	3.1
127.03921	19.2
131.08565	3.7
133.10136	21.0
135.08060	1.6
135.11668	1.5
136.35141	0.9
137.09647	1.1
139.11206	2.9
143.08598	1.2
145.04991	8.5
145.06119	1.3
145.10129	2.1
147.11705	2.6
149.13286	5.4
151.11194	4.3
153.09117	33.8
159.02887	2.0
163.06052	4.1
163.14828	2.7
169.12274	3.7
173.13248	12.5
191.14308	18.0
205.07103	1.1
209.15372	100.0
210.15623	1.2
227.16409	29.6
231.04936	2.2
313.17853	1.6
383.22351	1.4
413.21463	1.2
434.45575	1.1
457.21722	1.2
457.68564	1.1
475.21497	14.3
475.26941	1.8
475.32541	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	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39223	1.3
53.03941	2.9
55.01871	3.0
55.05505	6.3
57.03436	4.4
57.07064	2.3
59.05012	1.8
61.02923	3.4
64.56251	1.5
67.05506	7.6
68.99786	1.7
69.03432	10.8
69.07069	8.2
69.59234	8.7
70.06578	2.0
71.04993	3.9
79.05491	9.6
80.21722	1.4
81.03426	8.9
81.07061	15.3
83.04981	8.5
83.08618	4.0
84.04500	3.0
85.02908	19.1
85.06552	7.5
86.09706	7.0
87.00831	11.4
90.68069	1.6
91.05469	8.4
93.07046	21.7
95.04969	4.6
95.08617	23.3
97.02896	9.0
97.06542	8.8
99.04462	5.5
99.08095	13.1
103.03944	2.3
105.01862	8.9
105.04453	1.6
105.07037	13.4
107.04975	7.5
107.08601	44.0
109.02919	7.4
109.06517	9.5
109.10151	13.5
110.19550	1.3
111.08075	6.5
117.07008	1.8
119.08608	8.7
120.08840	1.5
121.06523	14.3
121.09327	2.5
121.10149	29.7
123.08073	16.4
123.11749	3.3
123.16901	1.3
125.06020	3.0
125.09650	6.6
127.03933	16.2
131.08575	13.1
133.10146	19.9
135.08031	10.8
135.11685	5.8
135.76347	1.7
137.09634	5.5
139.07587	1.8
139.11212	2.0
142.35217	1.4
143.08571	3.1
145.04982	5.0
145.10127	4.2
147.11710	6.7
148.11993	1.3
149.08417	2.7
149.09624	51.0
149.13260	15.5
151.03915	2.8
151.11194	16.2
153.09113	5.9
158.10858	1.7
159.02931	2.3
161.13255	1.7
163.05867	1.8
163.11240	2.3
163.14830	26.6
165.12822	1.9
173.13246	23.0
191.14320	71.6
191.16066	3.6
201.12357	2.9
203.14355	7.6
204.14603	11.1
209.15382	100.0
215.13994	1.4
227.16383	5.0
231.05089	2.9
231.13780	6.3
232.14142	10.0
249.15009	2.0
259.13196	1.8
260.13693	3.0
277.14429	4.8
278.14731	15.7
295.15335	2.7
296.15747	6.1
457.16592	1.6
475.16382	2.9
475.32437	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	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01875	2.8
55.05508	4.4
57.03430	4.6
57.07081	2.4
67.05502	5.9
69.03436	10.5
69.07079	8.7
69.47789	11.8
71.04995	6.8
79.05503	6.9
80.61987	1.5
81.03412	5.8
81.07061	13.3
81.40255	1.5
83.04975	7.6
83.08618	4.2
83.82772	1.5
85.02906	15.7
85.06528	5.9
86.09664	1.8
87.00817	4.9
91.05483	5.3
93.07065	15.1
95.04957	4.1
95.08614	18.1
97.02905	6.9
97.06519	3.6
99.04448	8.7
99.08105	12.4
105.01862	5.3
105.07032	9.1
107.04960	5.9
107.08599	35.1
109.02888	7.7
109.06544	11.8
109.10159	10.7
111.08096	4.8
119.08594	5.4
121.06508	13.8
121.10146	28.6
123.08080	14.4
123.11682	4.6
125.05991	2.7
125.09621	5.0
127.03932	15.0
131.08556	10.6
133.10135	15.0
135.08075	13.1
135.11688	3.1
137.09601	6.7
137.10614	1.5
139.11185	3.0
143.27638	1.7
145.04964	5.5
145.10139	3.0
147.11702	6.3
149.09631	55.0
149.13278	13.1
151.03941	3.5
151.11192	16.2
153.09131	6.6
156.43643	1.6
158.10889	4.2
159.02895	3.2
163.11191	4.0
163.14836	25.9
165.12695	2.0
173.13286	18.6
191.14320	64.5
209.15385	100.0
227.16422	11.6
475.32596	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	475.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01875	3.1
55.05507	5.0
57.03432	5.3
57.07081	2.3
59.05009	1.6
61.02930	1.9
67.05505	3.2
69.03431	22.0
69.07067	7.5
70.83900	1.7
70.84215	3.8
71.04989	7.4
73.02934	3.9
79.05489	5.8
81.03421	15.6
81.07083	12.1
83.04984	5.7
83.08625	4.9
85.02909	48.7
85.06545	5.3
86.09711	5.0
87.00832	20.8
91.05493	5.8
93.07055	11.4
95.04970	50.9
95.08613	12.7
97.02874	14.0
97.06540	24.3
99.04469	19.3
99.08067	5.0
103.03958	2.3
105.01882	19.4
105.07041	14.6
107.08611	19.3
109.02867	10.8
109.06524	38.5
109.07265	2.4
109.10150	13.6
111.08098	4.8
115.07592	10.4
119.08602	10.2
121.10150	25.8
123.08083	7.1
123.11713	5.1
125.05991	2.4
125.09666	3.4
127.03922	28.5
127.07637	2.3
131.08585	11.4
133.10135	48.0
135.08067	7.9
135.11667	4.5
137.05986	2.2
139.11179	3.5
145.04961	9.9
145.10123	5.1
147.11691	38.3
149.09660	4.5
149.13278	3.2
151.07614	2.2
151.11189	4.7
153.09117	35.3
153.10321	1.8
159.02945	3.6
163.11143	5.2
163.14830	7.4
165.12787	7.5
171.10182	4.9
173.13278	24.2
191.14316	37.1
207.13890	2.7
209.15387	96.7
227.16437	100.0
231.04906	3.3
243.13448	1.9
261.11481	2.4
320.63300	1.8
475.22290	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38373	1.7
53.03933	3.7
55.05515	17.9
56.22440	1.8
57.03444	10.9
59.04992	2.3
60.16535	1.6
65.03923	2.2
67.05507	51.0
69.07071	12.9
70.71008	2.5
70.71338	3.9
79.05499	30.9
81.03432	3.5
81.07059	54.2
83.04968	2.1
83.08624	6.5
86.99892	1.7
91.05489	21.0
93.07050	33.1
95.04966	5.1
95.08615	39.9
96.29450	1.7
97.06518	2.7
97.10170	2.9
98.20811	1.8
98.98473	21.5
105.07038	20.3
107.08590	24.5
109.10163	17.3
117.07014	8.5
119.08598	16.0
120.32223	1.7
121.10130	12.0
123.08098	1.9
123.11684	7.2
125.09647	2.1
129.06967	2.4
131.08588	15.3
133.10135	10.7
135.11682	9.6
137.09564	1.8
137.13268	2.6
140.99484	39.5
141.06990	2.9
143.08562	3.6
145.10156	12.4
147.11708	10.6
149.09546	2.2
149.13266	7.0
159.11658	9.1
161.13271	7.4
163.14764	3.5
165.09090	3.1
171.11633	2.8
173.02122	3.4
173.13266	8.1
185.13283	2.3
187.14783	4.2
197.02065	2.5
215.03049	2.6
215.14354	1.8
243.21107	5.8
261.22150	12.6
267.20892	2.7
285.22159	8.4
291.23013	1.8
295.15268	1.8
303.23141	6.2
317.24808	1.9
335.25797	100.0
336.25992	2.6
359.25610	6.2
370.62387	1.9
377.26920	4.2
419.70837	2.6
457.24292	3.8
475.25803	4.8
475.31512	2.7
475.36536	7.4
481.01212	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	475.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.2
53.03940	3.3
53.63725	1.0
54.08982	1.1
55.01871	2.7
55.05515	15.4
57.03444	11.8
57.07084	2.3
63.80972	1.1
63.85893	1.2
63.96289	1.4
65.03946	3.0
67.05508	60.7
69.03392	1.4
69.07065	14.0
69.30992	5.6
69.31415	4.4
71.04977	1.9
71.08636	3.3
79.05495	34.9
81.03423	2.3
81.07060	66.3
83.04977	3.1
83.08624	7.8
85.06522	1.2
89.03914	2.5
91.05483	30.1
93.07043	41.8
95.04970	5.4
95.08612	44.2
97.06521	4.1
97.10148	3.4
98.98471	26.3
99.08112	2.6
105.04506	1.3
105.06332	1.2
105.07034	23.5
107.08611	21.3
109.06551	2.9
109.10165	18.9
111.08082	2.9
117.03400	2.6
117.06989	8.4
119.08580	18.7
121.06543	2.0
121.10149	16.8
123.08093	1.8
123.11699	9.6
124.68909	1.3
125.09634	1.4
129.06995	3.7
131.08582	14.6
133.10133	12.4
135.04449	4.9
135.08090	2.1
135.11703	12.5
137.09651	2.1
137.13306	1.8
140.99489	51.1
143.08572	2.0
145.02838	2.6
145.10132	13.1
147.11694	9.3
149.13280	9.8
151.11180	3.3
155.01031	2.5
157.10156	2.5
159.11711	9.8
161.09569	1.4
161.13269	9.4
163.03911	26.2
163.11171	2.2
163.14816	2.8
165.12769	1.7
171.11684	3.5
173.02138	2.2
173.13257	10.1
175.14874	2.4
179.14424	1.5
183.11621	1.4
185.13243	2.1
187.14819	3.8
197.02103	3.5
199.14810	2.2
201.16489	1.6
207.13739	2.5
215.03152	5.2
238.22705	1.4
243.21101	5.6
261.22153	12.8
277.21661	1.7
279.23203	2.1
285.22110	7.6
303.23257	9.7
317.24765	5.3
333.24225	1.7
335.25809	100.0
336.26520	1.8
340.36493	1.2
359.25821	9.1
377.26859	3.7
421.56693	1.5
457.23679	7.1
475.25812	4.4
475.30844	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	475.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
55.01869	5.3
55.05518	21.0
57.03450	5.3
60.06067	0.8
62.09590	0.8
65.03942	1.7
67.05179	1.5
67.05509	22.6
69.03427	3.1
69.07075	7.5
71.04989	3.5
79.05501	23.1
81.03428	19.2
81.06590	1.3
81.07059	22.3
83.04987	4.5
83.08630	10.3
85.02888	1.3
85.06571	1.8
91.05487	16.7
93.07047	18.5
95.01346	1.2
95.04975	11.6
95.08618	15.9
97.02893	2.4
97.06562	4.6
97.10176	11.2
97.76006	0.8
103.05422	1.1
105.03399	0.9
105.07043	14.6
107.04285	1.5
107.04957	11.7
107.08604	12.9
108.84451	0.9
109.02881	4.1
109.06525	3.0
109.10157	8.2
111.08084	2.9
111.38739	0.8
115.05466	1.7
115.18349	0.9
117.07040	9.1
119.04975	3.4
119.08587	8.4
121.02900	1.1
121.06517	7.9
121.10135	4.8
123.04427	3.7
123.08064	2.3
125.02357	3.0
125.09647	8.4
128.06238	2.0
129.07011	8.5
130.07796	1.5
131.04929	5.6
131.08557	8.1
133.06471	5.3
133.10121	4.2
135.04434	3.1
135.08066	4.8
135.11699	9.3
137.06000	1.2
137.09657	1.6
141.07028	3.1
143.08585	6.1
145.02827	1.1
145.06491	7.8
145.10141	9.5
145.98927	0.8
147.04445	6.3
147.08031	6.0
147.11705	3.7
149.06027	1.8
149.09627	2.7
149.13216	0.8
153.09117	1.4
155.08559	5.3
157.06522	3.9
157.10168	4.3
159.04462	1.6
159.08084	4.2
159.11707	2.1
160.05228	3.4
161.05998	18.8
161.09648	3.6
163.03943	6.0
163.07585	1.0
163.11221	12.4
164.04265	1.9
165.09137	2.6
167.08606	3.0
168.09465	1.0
169.06575	1.6
169.10149	3.0
171.08052	4.5
171.11702	1.9
173.06046	3.1
173.09659	7.4
174.06607	1.1
175.07549	2.8
175.11249	3.7
181.06517	1.3
181.10147	1.8
181.12262	2.1
183.08098	2.1
183.11696	2.9
185.06076	1.4
185.09634	2.2
185.13187	1.2
187.07555	2.3
187.11176	1.7
189.09096	1.6
189.11191	3.2
191.10741	2.8
191.91547	0.9
193.10501	1.2
193.12213	6.0
195.07964	1.2
195.11707	1.4
197.09688	2.3
197.13359	1.2
199.07549	1.4
199.11244	2.0
201.09187	1.1
201.12709	1.9
203.14391	1.6
205.10413	1.1
205.12314	2.4
209.11662	1.2
211.11237	4.8
213.12817	3.1
221.13477	1.4
223.11185	1.3
225.12813	1.8
227.10715	0.8
227.12782	17.1
229.81535	0.9
231.13858	4.0
235.11194	1.0
237.11043	1.3
239.10777	1.4
243.13875	4.9
253.12299	1.6
255.06546	1.3
257.11948	1.3
257.15475	1.7
261.15030	1.1
265.14432	2.2
268.07312	2.4
269.15411	4.0
271.13318	5.6
273.14877	3.4
275.16269	1.0
285.14804	1.1
287.16339	2.3
289.14340	11.5
299.16550	1.7
303.15973	2.2
337.21716	2.7
347.20102	1.3
355.22546	5.7
365.21158	12.1
373.23828	1.4
383.22189	49.2
393.24219	1.5
401.23242	21.3
403.22827	1.6
419.24478	2.7
421.23862	2.9
429.26682	1.0
431.24365	5.7
439.24863	5.9
457.25912	42.6
475.26974	100.0
476.27280	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.4
55.01867	3.2
55.05516	6.9
57.03439	18.3
57.07080	36.9
61.02930	43.6
67.05508	16.6
69.03092	1.6
69.03434	23.2
69.07072	11.2
70.01199	1.8
70.01598	1.5
71.01352	3.3
71.04980	3.4
71.08636	27.5
73.02923	22.0
75.04471	1.3
77.09337	1.0
79.05495	8.7
81.03427	14.1
81.07057	24.3
83.01315	1.2
83.04966	2.8
83.08620	11.8
85.02908	43.5
85.06551	1.5
85.10191	15.7
87.04462	2.4
91.03426	1.6
91.03963	30.9
91.05463	5.1
93.07053	8.2
95.04961	2.6
95.08608	26.6
97.02898	40.3
97.10168	7.9
99.04464	6.9
99.08071	1.7
99.11714	1.0
101.02378	9.1
103.03954	7.0
105.07034	3.6
107.08591	3.0
109.02890	10.6
109.06524	0.9
109.10167	14.0
111.04434	1.3
111.11683	2.7
115.03921	3.9
117.05496	2.4
117.06977	1.1
119.08559	2.4
121.10167	1.8
123.11729	6.3
125.13258	2.0
127.03920	18.7
129.05492	3.0
129.06996	1.4
135.11705	1.4
137.13226	3.9
145.04977	8.5
145.10120	1.1
147.11682	2.2
149.13235	3.2
151.14835	2.0
159.06538	2.1
159.11696	1.3
171.06512	1.4
171.11674	2.0
183.06512	4.8
195.13837	1.1
201.07607	5.3
207.13786	3.9
211.14465	0.8
221.22684	1.1
239.23705	30.0
239.26118	1.8
257.24750	3.7
313.27380	100.0
314.27771	1.6
341.26837	3.1
355.28323	3.3
383.27798	2.0
390.47409	1.0
457.31445	7.3
475.32547	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	476.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
56.07163	0.7
59.46051	0.6
60.64709	0.6
65.03938	1.7
67.05509	2.0
69.03438	3.9
71.01909	1.5
71.05002	1.3
73.02917	1.0
74.06063	0.9
79.05508	4.3
80.05002	1.0
81.03400	5.2
81.07062	1.1
83.04970	1.3
84.04503	0.8
85.02907	9.1
86.09698	3.0
87.44167	0.7
92.05030	3.4
96.08145	4.6
97.02901	6.0
99.04465	7.8
103.03942	5.6
106.06559	34.2
108.08123	35.9
109.02877	4.6
123.06833	5.8
124.06710	1.4
124.07601	23.0
127.03926	11.1
131.08353	0.8
131.65300	0.8
134.06021	22.3
136.06190	2.3
136.07581	10.5
145.04965	2.7
152.07072	79.4
163.45584	0.8
164.07103	1.0
170.08136	30.8
174.09143	0.8
187.06017	1.5
192.33038	0.7
194.08156	0.8
286.39142	0.8
314.12247	1.0
396.16440	1.3
414.17743	1.7
440.15384	2.6
458.16626	13.7
458.22556	0.8
476.17667	100.0
477.17914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
56.57668	0.3
57.07076	1.9
59.04982	0.6
61.67901	0.3
67.05512	5.1
68.56496	0.4
69.03425	0.5
69.07072	4.4
70.82199	0.9
79.05471	1.2
81.07063	4.4
81.88640	0.3
83.08603	1.4
85.02903	1.2
85.06538	1.3
91.05477	4.4
93.07053	3.8
95.04946	0.7
95.08611	17.4
97.02869	0.5
99.04454	1.2
103.03954	0.5
104.06319	0.3
105.07037	9.3
107.08605	5.5
109.06522	0.5
109.10161	20.3
117.07012	1.2
119.08587	37.6
121.10159	2.5
123.08060	0.8
123.11681	1.0
127.03921	1.2
131.08577	1.3
132.09309	0.4
133.10135	44.6
134.10497	0.4
135.11697	9.1
137.09624	8.1
145.04938	1.0
145.10130	2.6
147.11691	11.1
149.09642	0.9
149.13260	3.0
150.09900	0.5
151.14833	3.8
159.11696	0.4
160.12509	2.4
169.12274	0.5
170.12543	0.5
173.13304	0.8
175.14832	100.0
176.15173	1.4
193.15895	35.2
194.16246	0.5
228.16766	0.5
244.66437	0.4
305.13513	0.4
315.75699	0.4
345.17941	0.4
420.00943	0.5
476.24600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	7.9
55.01863	8.7
55.05503	7.6
57.03432	3.9
61.02910	7.6
67.05505	9.6
68.99775	2.1
69.03090	2.8
69.03429	41.7
69.04003	2.1
69.07074	13.7
71.04974	5.7
71.52577	2.8
73.02906	3.9
76.63721	1.9
79.05491	7.0
81.03417	22.0
81.07062	17.8
83.04970	6.0
83.08598	5.8
85.02905	93.4
85.06519	1.9
86.09715	2.1
87.00833	52.3
87.04494	2.4
91.05478	10.7
93.07058	13.0
95.04953	3.8
95.08604	24.0
97.02892	30.7
97.06494	4.0
97.10135	2.9
99.04457	13.9
99.08065	2.9
103.03922	3.0
105.01868	73.3
105.07027	21.5
107.08598	18.6
109.02874	38.1
109.06489	3.7
109.10155	40.9
111.08076	4.3
115.05423	2.2
117.07021	4.7
119.08580	70.1
119.75818	1.8
121.10151	11.4
123.08050	5.1
123.11680	8.9
127.03916	63.5
129.01845	2.7
130.66736	1.9
131.08556	3.3
133.09132	2.5
133.10136	40.9
135.08015	2.1
135.11685	39.8
137.08485	2.0
137.09598	8.1
145.04948	22.0
147.11633	5.9
149.13251	3.2
151.11156	6.3
159.02870	8.3
163.11264	2.2
169.27774	2.1
175.14824	100.0
177.05467	3.3
189.03944	4.1
193.15895	38.9
211.14867	2.6
211.16933	53.2
213.03944	8.3
231.05017	22.9
249.06079	9.0
289.32547	2.3
304.94470	1.9
385.23557	2.3
476.27081	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	476.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.05518	4.6
56.84391	0.4
57.03439	4.0
57.07074	0.4
62.06068	0.6
62.77383	0.4
65.03953	0.5
67.05511	19.9
69.06722	0.5
69.07073	4.6
69.78399	2.2
71.04972	0.7
79.05075	0.7
79.05498	9.8
81.07061	17.2
83.04964	0.6
83.08610	1.5
85.06516	0.5
91.05477	4.5
93.07053	9.9
94.60308	0.4
95.04990	0.8
95.08612	13.3
97.06524	0.7
97.10146	0.6
98.06051	0.6
98.98458	0.6
105.07035	3.0
107.08610	4.6
109.10161	4.7
117.06965	0.5
119.08586	2.0
120.44773	0.4
121.10126	3.4
123.08074	0.4
123.11698	1.3
129.45622	0.4
131.08566	1.6
133.10114	1.3
133.64751	0.4
135.11707	2.4
135.87984	0.4
145.10139	0.9
147.11684	1.1
149.13248	1.3
161.13287	0.7
173.13301	0.8
187.14839	0.4
216.06404	0.7
226.16931	0.4
261.22366	0.7
304.26346	8.4
335.25821	100.0
336.26196	1.3
421.16693	0.4
429.66132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	9.2
57.03442	3.3
59.81659	1.3
62.06090	40.0
67.05506	26.0
69.07065	6.8
69.23620	7.9
69.24049	5.3
71.05030	1.8
79.05503	20.4
81.07056	22.5
83.08614	3.2
91.05483	9.0
93.07043	24.2
95.08614	18.8
98.21556	2.2
98.98479	10.2
105.07025	7.5
107.08607	9.5
109.10174	8.2
119.08576	5.4
121.10157	8.7
123.11700	2.0
124.01595	2.7
131.08569	4.7
133.10144	3.4
135.11687	6.1
145.10066	2.0
146.20088	1.4
147.11719	2.7
149.13263	2.5
155.01051	3.2
156.50897	1.4
159.11760	2.0
163.14714	1.7
173.02107	3.2
173.13210	2.5
198.05177	2.4
216.06363	3.3
243.21043	2.4
261.22192	5.8
266.63348	1.4
304.26404	10.5
335.25797	100.0
458.26651	7.4
476.27542	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	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91736	1.1
53.03930	3.0
55.01860	2.3
55.05513	14.4
57.03439	1.7
57.07059	3.0
67.05504	12.1
69.03428	8.5
69.07079	6.9
70.06593	2.5
71.04988	5.9
71.52171	1.4
72.08135	1.5
75.44702	0.9
79.05479	6.8
81.03424	6.3
81.06602	1.6
81.07062	29.5
83.04970	5.0
83.08604	2.6
85.02913	15.8
85.06546	29.6
86.09679	1.4
87.00831	6.4
89.06009	1.4
91.05485	13.9
92.05797	1.4
93.06480	2.0
93.07044	27.1
95.04977	5.5
95.08614	47.2
97.02908	5.7
97.06528	2.4
97.10143	1.5
99.04457	10.9
99.08084	9.9
101.06029	1.2
103.03931	1.2
105.01855	4.6
105.07035	33.8
106.07378	4.2
107.08598	44.8
109.02885	4.7
109.06503	2.6
109.09386	1.2
109.10158	21.8
111.08060	3.8
113.09633	1.9
117.06998	2.4
119.08582	49.7
120.08121	1.5
120.08913	2.2
121.06531	1.2
121.10136	14.4
123.08076	3.2
123.11714	7.0
125.09623	10.5
127.03909	10.6
131.08530	3.4
133.10138	37.3
135.07994	1.2
135.10696	2.3
135.11687	31.8
137.09612	10.8
143.08575	1.3
145.04936	3.3
145.10150	3.6
147.11696	11.7
148.11993	6.9
149.09602	1.1
149.13219	5.3
151.11212	2.4
153.09155	1.2
153.12674	1.4
155.10672	100.0
157.10112	1.7
158.10452	1.6
159.02916	1.9
163.14825	39.9
171.09938	2.7
173.13225	2.7
175.11169	4.3
175.14835	57.6
176.11548	2.5
181.15897	6.4
191.14297	2.3
193.15887	70.3
194.12621	1.3
199.16910	11.5
209.15456	1.9
210.15767	1.5
211.16930	68.4
229.17986	55.4
231.05058	1.6
273.70160	1.1
277.66455	1.1
333.15170	4.6
375.16312	1.3
415.19391	8.9
417.17435	5.4
477.14136	3.3
477.19415	58.4
478.19705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34026	1.6
53.03943	6.9
55.01871	5.2
55.05514	18.6
56.94381	1.4
57.03433	6.5
57.81594	1.5
59.05001	3.9
61.02914	3.3
67.05501	20.4
69.03435	17.3
69.07067	12.3
70.06577	1.7
71.05006	7.5
71.06614	1.8
71.06951	2.8
73.02898	3.0
79.05500	21.9
81.03425	20.2
81.07063	16.9
83.04993	2.8
83.08611	10.1
84.04489	2.1
85.02909	73.4
86.09678	1.9
89.27441	1.6
91.05470	12.8
93.07048	26.2
95.04987	9.4
95.08604	20.0
97.02895	21.9
97.06530	30.0
97.10172	17.0
98.97591	2.3
99.03848	3.0
99.04459	40.8
103.03947	99.2
105.07051	12.5
107.04967	11.0
107.08602	39.8
109.02878	18.9
109.06502	5.4
109.10167	21.3
111.08101	2.2
111.11741	2.0
117.07033	4.7
119.08598	9.8
120.08080	1.9
121.06541	9.9
121.10158	3.8
123.04423	2.3
123.08101	4.5
125.06001	2.7
125.09620	11.2
127.03923	95.7
128.06203	1.8
129.07004	2.0
131.04903	1.8
131.08574	4.7
133.06497	4.4
133.10147	7.8
134.10529	2.0
135.08052	4.4
135.11696	48.5
137.09639	6.0
143.08539	2.3
145.04962	64.9
145.06245	2.5
145.06535	3.1
145.10184	4.0
147.08051	3.2
147.11729	3.4
149.09642	1.7
151.03911	7.0
153.09134	4.4
153.12753	100.0
155.08598	2.1
157.06491	3.1
157.10124	2.8
159.08055	2.3
159.11755	2.7
161.09532	2.0
163.06024	50.0
163.11185	1.6
169.04956	2.0
171.11679	3.2
171.12262	2.3
171.13795	29.3
173.13258	1.9
175.11208	2.2
175.14760	3.8
176.15178	2.8
181.10071	1.7
187.06042	3.3
189.11166	5.3
189.12703	2.9
191.14328	4.6
193.12306	3.7
199.11024	1.7
201.12604	2.6
205.07088	4.9
211.16797	2.0
221.05980	4.5
227.14577	2.0
233.15358	4.3
249.05573	2.4
267.15903	3.4
271.08215	6.1
273.14871	4.1
287.19928	2.0
289.09198	4.6
295.05975	13.5
307.10153	10.3
339.23145	2.7
349.21725	4.1
357.24268	2.2
367.22668	16.5
385.23749	23.0
392.86987	1.9
403.24731	6.4
441.26422	3.6
459.27695	23.1
477.17352	6.5
477.28760	13.4
499.37677	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	477.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.05279	1.3
55.05519	16.4
57.03444	8.9
57.07069	3.5
64.97910	1.4
65.03944	2.7
67.05507	35.3
68.92249	1.2
69.07074	17.7
69.68034	3.5
69.68443	2.1
74.02925	1.0
74.94807	1.1
79.05492	15.2
81.07063	41.1
83.04979	1.4
83.08632	11.1
85.06532	2.0
91.05489	11.8
93.07053	20.0
95.04988	2.2
95.08612	33.8
96.36307	0.9
97.06556	3.0
97.10182	5.1
98.98470	16.7
105.07053	9.3
107.08607	8.9
109.10159	12.7
117.07015	2.1
119.08595	8.4
121.10165	6.2
123.11737	5.5
125.09648	1.8
131.08594	1.7
131.43634	1.1
133.10136	7.3
135.11740	6.3
137.13251	3.0
140.99481	36.6
145.10150	3.2
147.11676	5.1
149.13274	3.0
152.72040	1.0
155.01071	1.9
159.11731	2.1
161.13292	3.7
163.14838	3.1
173.02124	2.0
175.14774	2.7
177.16251	1.4
189.16426	2.3
197.02092	9.9
215.03101	3.5
216.24554	1.0
227.12708	1.5
245.22630	4.6
263.23703	7.2
287.23746	6.3
305.24744	9.0
306.00339	1.1
311.25687	1.1
336.25995	2.7
337.27393	100.0
338.27307	1.4
361.27350	3.2
379.28287	2.4
387.74521	1.3
441.23822	1.6
459.25192	1.6
477.27820	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2851
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
55.01871	7.7
55.05262	3.0
55.05517	32.5
57.03447	16.7
59.05008	2.3
65.03955	2.0
67.05513	42.2
69.03430	10.2
69.07072	18.0
69.58844	11.7
71.04996	5.2
73.02914	3.6
79.05502	43.4
81.03423	24.4
81.07065	42.6
83.04985	8.3
83.08627	13.9
85.02917	6.5
85.06574	3.0
91.05490	39.0
93.07057	29.1
95.04977	16.0
95.08614	24.2
97.02905	5.0
97.06537	4.9
97.09640	1.8
97.10173	14.1
98.21457	2.8
98.97607	5.6
99.04494	3.3
103.03971	3.5
103.05467	2.0
105.07043	41.3
107.04984	12.3
107.08590	21.0
109.06541	6.0
109.10175	10.3
111.04493	3.0
111.08086	2.6
113.06073	2.3
115.05492	4.5
117.07027	28.1
118.74867	2.0
119.08586	24.9
121.06516	9.4
121.10139	11.8
123.04453	2.7
123.08058	2.7
123.11694	3.1
125.09637	9.5
128.06252	7.4
129.05479	3.7
129.07025	31.8
131.04996	2.7
131.08580	35.1
133.06502	8.3
133.10132	16.0
135.08044	6.1
135.11711	6.5
137.06105	2.1
137.09633	2.6
141.06987	14.7
142.07828	6.5
143.08578	29.0
145.06485	12.4
145.10135	27.9
147.08073	8.0
147.11711	12.9
149.09665	5.4
149.13269	3.1
151.07437	2.0
153.07039	5.6
153.09109	2.8
154.07791	4.3
155.08553	19.7
156.09340	4.1
157.06529	6.6
157.10153	23.4
158.07199	2.9
158.99634	2.5
159.08086	8.9
159.11668	15.6
161.09563	2.7
161.13266	5.5
163.11179	4.2
165.06984	5.4
165.09177	7.8
167.08571	11.5
168.09360	6.0
169.10135	20.9
170.10963	2.0
171.08116	12.1
171.11703	20.7
173.09625	9.5
173.13272	7.3
175.11183	4.0
175.14865	3.7
179.08560	4.0
180.09415	3.1
181.06511	2.4
181.10190	10.9
182.07338	2.7
182.11098	2.4
183.08127	9.0
183.11694	17.7
184.08904	2.1
185.09586	10.4
185.13292	12.5
186.10437	2.0
187.07558	3.0
187.11223	8.0
187.14894	3.8
189.11169	5.0
189.12749	3.2
193.10211	2.7
193.12253	7.4
195.08043	3.7
195.11743	10.3
197.09668	9.1
197.13240	11.1
199.11215	9.5
199.14873	5.4
201.09180	2.5
201.12808	5.5
203.14255	3.5
205.10237	2.7
207.11719	5.4
209.09647	5.4
209.13354	8.6
211.11270	7.4
211.14903	5.8
213.12781	4.6
214.80515	2.0
215.10727	2.3
215.14374	4.6
217.12335	2.8
221.13341	4.5
223.11237	4.5
223.15004	2.8
225.12714	5.4
227.12675	2.9
231.13910	2.3
237.12628	3.9
239.14307	4.7
251.14400	3.0
255.13924	2.9
255.17505	2.2
267.16013	7.0
269.19165	2.8
271.20587	2.6
273.15018	4.7
276.13068	4.0
277.21854	2.2
283.20569	2.6
285.22168	3.0
297.22073	5.4
301.21564	3.2
305.26791	5.8
307.20691	5.8
313.21637	9.2
321.22220	5.9
325.21634	10.7
331.20172	3.3
336.26242	6.5
337.21848	4.2
339.23172	11.3
341.21243	2.3
343.22818	5.9
349.21561	24.7
351.25311	2.3
357.24335	6.3
367.22662	39.8
373.23734	6.0
385.23703	33.7
387.25320	5.8
399.25256	4.7
403.24829	11.5
413.26889	3.8
417.26434	14.4
423.25540	7.1
429.26337	14.6
441.26431	59.1
459.27454	83.0
477.28537	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.9
53.63770	2.2
55.01867	12.7
55.05273	3.0
55.05517	46.5
57.03441	11.7
67.05508	55.2
69.03423	9.8
69.07063	14.5
70.71922	2.9
70.72276	4.6
71.05004	4.0
79.05493	55.2
81.03423	58.0
81.07058	44.4
82.92504	2.2
83.04983	8.2
83.08621	29.5
85.06538	2.5
91.05484	43.3
93.07053	37.1
95.04972	29.1
95.08611	22.1
97.06527	5.8
97.10179	37.9
97.51501	2.0
99.08082	2.3
103.05454	3.0
105.07049	32.0
107.04953	27.1
107.08598	26.2
109.06518	9.8
109.10164	10.1
111.08081	7.7
115.05520	3.0
117.07034	13.6
119.08588	22.5
121.06500	26.6
121.10162	12.4
123.04485	2.6
123.08057	7.9
123.11767	2.4
125.09644	28.5
125.10485	3.8
129.07008	14.1
131.04930	4.5
131.08578	25.3
133.06496	8.8
133.10150	14.6
135.04410	4.1
135.08083	8.8
135.11607	4.7
141.06973	4.0
143.08540	9.6
145.06471	18.1
145.10091	13.1
147.04405	3.7
147.08055	9.9
147.11702	7.1
149.09619	8.9
153.09116	5.1
153.12685	3.3
155.08580	6.5
157.06551	3.2
157.10164	10.1
159.08070	6.7
159.11673	5.4
160.36406	2.0
161.05991	3.7
161.09570	4.2
161.13458	2.8
163.11133	5.3
165.12801	2.2
167.08545	4.0
169.10153	8.1
171.08078	4.1
171.10236	5.0
171.11729	7.7
173.09663	5.0
175.07587	2.2
175.11198	8.9
178.61870	2.1
179.08664	2.7
181.10141	2.9
181.12224	2.4
183.11690	4.9
185.09579	4.9
185.13284	4.0
187.11128	4.2
187.14876	2.6
189.11217	15.4
189.12816	5.9
193.12244	25.9
197.09331	2.0
199.11208	5.4
201.12720	2.2
205.12268	3.3
211.13185	3.1
212.17159	2.5
213.12863	3.5
215.14354	8.2
219.13835	3.2
225.12773	2.3
227.12689	16.7
231.13739	4.2
233.15387	17.9
237.12601	3.1
241.11960	2.5
241.14209	2.9
245.15498	4.8
249.14839	5.7
255.13795	3.7
257.15601	2.3
267.15924	47.4
273.14859	12.9
289.17966	3.7
323.20074	3.2
337.87354	2.6
339.23209	7.0
341.21036	7.1
349.21738	14.0
357.24194	9.1
367.22702	38.1
385.23740	72.1
403.24759	25.9
415.24792	3.8
431.27835	2.4
433.25943	19.7
441.26175	7.2
459.27438	100.0
459.33902	5.4
460.27484	2.8
477.28500	58.4
488.91025	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	477.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	20.6
57.07077	9.8
60.30894	4.9
67.05510	31.3
69.07073	24.1
70.70667	12.9
71.04980	14.7
73.41702	4.4
79.05488	20.1
81.07054	92.1
83.08611	10.1
85.06466	5.2
90.85886	4.1
91.05466	21.0
93.07050	64.0
93.89362	4.2
95.08611	100.0
97.10165	10.8
105.07034	48.7
107.08585	52.2
109.06522	7.2
109.10162	55.4
111.08089	12.3
111.11676	7.4
117.07024	6.6
119.08591	51.0
121.10146	47.2
123.11723	34.6
127.73152	4.0
131.08601	10.6
133.10149	35.5
135.11699	32.2
137.13287	5.1
143.08655	6.3
145.10133	33.7
147.11668	30.1
149.13254	30.9
157.10162	9.2
159.11708	30.3
161.13274	34.0
163.14822	25.8
171.11649	11.0
173.13269	26.8
175.14841	18.7
177.16356	6.4
184.90314	4.4
185.13283	6.5
187.14838	17.2
189.16435	17.0
191.17990	10.8
199.14781	9.3
201.16418	17.5
203.17975	14.9
204.68010	5.4
213.16348	5.1
215.17949	9.0
217.19583	20.7
225.16331	5.6
227.17897	5.9
229.19498	11.8
243.21173	5.0
259.24200	8.9
271.24048	5.1
285.25656	7.5
302.98468	4.4
367.29901	5.4
407.32889	5.5
419.36664	9.6
459.39792	14.0
477.40915	80.0
482.85577	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	478.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83467	0.7
51.16347	0.7
53.03946	1.8
55.01873	2.0
55.05519	4.0
56.44089	0.8
57.03433	0.8
57.07079	1.5
61.02926	1.9
63.20927	1.0
67.05501	3.3
69.03434	7.2
69.06728	0.9
69.07076	8.9
69.41169	2.2
69.41593	3.4
71.04988	2.0
73.02926	1.4
79.05505	3.9
81.03424	6.8
81.07064	8.4
83.08617	6.5
85.02910	24.9
85.06562	1.0
87.00827	12.3
91.05504	2.6
93.07050	11.5
95.04993	0.8
95.08613	21.5
97.02885	7.4
97.06551	1.0
97.10181	3.6
98.21625	0.7
99.04457	3.3
99.08102	6.9
105.01871	15.6
105.07052	3.6
107.08605	26.2
107.71799	0.8
109.02901	6.7
109.10165	6.1
111.08063	2.2
113.09641	1.1
119.08559	1.0
121.10152	42.6
123.11737	1.6
125.09639	2.0
127.03915	14.6
133.10100	1.7
135.11705	11.3
137.13258	4.5
145.04971	8.2
145.06059	1.1
147.02936	1.1
149.13258	4.6
159.02931	2.7
175.14836	2.6
177.16397	100.0
178.16641	1.2
191.18251	0.9
195.17447	19.3
203.56981	0.7
213.18492	15.8
213.20488	1.2
219.17599	1.0
220.75722	0.8
231.05046	4.5
249.06142	2.7
267.17404	0.8
389.19766	1.4
407.20374	1.2
425.21817	1.2
432.49417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.01934	0.3
53.03933	0.7
55.05515	7.6
57.03196	0.4
57.03440	5.1
57.07068	1.0
62.06057	0.3
65.03941	0.3
67.05509	14.9
69.07072	10.1
69.32382	1.1
69.32816	1.2
71.04981	0.6
71.08630	0.8
79.05493	4.0
80.50861	0.3
81.07060	16.1
81.83337	0.3
83.04967	0.4
83.08626	5.0
85.06552	0.5
85.72359	0.3
91.05487	2.5
93.07047	4.0
95.08611	13.5
97.06520	1.4
97.10179	2.5
98.98436	0.3
99.51673	0.3
105.07029	2.2
107.08596	2.7
109.10158	4.6
111.08053	0.4
111.11715	0.7
119.08593	2.3
121.10142	2.5
123.11712	2.0
133.10150	2.2
135.11682	1.3
137.09595	0.3
137.13284	1.3
147.11668	1.4
149.13283	0.6
151.14861	0.5
161.13281	0.9
163.14833	0.6
175.14818	0.5
193.15947	0.3
216.06239	0.3
229.30145	0.3
245.22624	0.3
251.17567	0.3
263.23776	0.9
306.27859	2.6
337.27374	100.0
338.27902	1.8
396.81357	0.3
466.79846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2931
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.27293	0.9
55.05512	9.9
57.03434	3.7
57.07100	2.1
62.06094	33.6
65.03953	1.0
67.05177	1.8
67.05508	21.0
69.07074	9.7
69.30447	3.6
69.30866	5.1
79.05501	6.6
81.07066	20.2
83.08617	4.0
86.07234	1.1
91.05481	4.0
93.07042	6.7
95.08619	17.3
97.06508	1.3
97.10178	1.5
98.21460	1.8
98.98460	7.7
101.69555	1.2
105.07046	3.0
107.08601	4.6
109.10152	8.0
118.91154	1.1
119.08606	2.6
121.10177	3.2
123.11700	2.8
131.08569	1.0
133.10139	2.2
135.11694	2.1
142.02621	1.3
147.11690	1.7
155.01060	5.1
163.14853	1.2
173.02139	1.7
181.21684	1.1
198.05275	2.6
216.06281	3.9
245.22768	2.0
263.23779	5.6
306.27914	8.3
319.26135	1.7
326.38766	1.1
337.27383	100.0
338.27765	2.0
417.23892	1.7
460.28278	6.2
468.28757	1.3
478.29187	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	479.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70825	2.3
53.73092	2.3
71.51025	2.6
83.92672	2.5
87.10922	2.6
90.08363	2.2
94.93016	7.8
95.17052	2.6
109.77709	2.6
115.72373	2.2
121.65485	2.3
136.94026	73.2
148.94020	18.1
166.95073	25.0
196.96158	12.0
256.98328	16.7
381.07941	100.0
419.03568	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	479.1186
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
53.03932	0.8
55.01865	0.6
57.03424	1.0
61.02930	1.6
65.03911	0.2
65.35220	0.2
69.03433	4.2
69.42518	0.3
69.42920	1.4
71.04986	0.5
73.02914	0.6
81.03421	2.0
81.07021	0.4
83.01374	0.3
85.02905	10.8
86.09689	0.4
87.04438	0.4
91.03940	0.4
92.02621	1.0
93.03397	1.0
93.07016	0.2
95.04984	0.3
95.08621	0.2
97.00317	0.2
97.02892	3.7
99.04477	0.5
107.08642	0.4
109.02874	1.1
109.10144	0.3
111.00819	0.2
119.08527	0.3
120.26236	0.2
121.02876	0.8
126.03164	0.4
127.03906	2.6
128.10728	0.2
139.03893	1.0
145.04979	2.0
151.03891	0.9
153.01826	8.1
165.01830	0.8
201.05496	0.8
203.03397	0.5
213.60303	0.2
217.04915	0.6
218.05804	0.5
228.04111	1.1
229.04941	3.6
231.02917	0.6
245.04472	1.4
246.05264	1.8
256.03693	0.3
257.04449	2.7
260.03128	0.4
261.07596	0.3
273.03888	1.5
274.04721	4.1
284.03143	0.5
285.03937	4.6
299.88785	0.2
302.04211	12.2
317.06552	100.0
318.06921	0.7
344.13913	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01872	8.5
55.05519	47.4
57.03452	7.3
66.04726	5.4
67.05512	74.4
68.99798	6.0
69.03436	8.7
69.07079	36.5
69.66821	5.6
71.04977	12.7
71.53065	8.0
71.58743	5.2
79.05502	64.8
81.03403	28.0
81.07064	93.9
83.04989	16.3
83.08627	31.7
85.06535	12.2
90.93140	6.5
91.05489	100.0
93.07052	73.9
95.04975	20.9
95.08604	55.9
97.06533	19.7
97.10172	19.5
99.08018	6.3
105.07037	73.2
106.36559	6.1
107.04971	15.0
107.08596	48.9
109.06505	17.4
109.10164	29.8
111.08078	11.1
115.05480	7.9
117.07030	55.6
119.08598	44.8
121.06512	17.4
121.10170	31.7
123.08072	6.8
125.09664	7.4
128.06242	14.6
129.07016	62.7
131.08569	96.5
133.06541	10.7
133.10147	39.7
135.08035	9.9
135.11740	9.6
137.09592	10.8
141.05321	6.8
141.07028	24.4
143.08540	52.4
145.06473	8.4
145.10109	35.3
147.08020	13.4
147.11702	13.4
149.09622	13.0
149.13312	8.6
151.11131	7.6
155.08566	47.3
157.10153	29.0
159.07932	8.8
159.11726	22.0
161.06017	7.6
161.09653	8.5
163.11281	12.0
165.09117	23.5
167.08592	16.1
169.10149	18.9
171.11737	14.6
173.09641	7.4
175.11208	11.5
177.05545	10.4
179.08517	11.0
181.10043	15.9
182.10869	7.0
183.11755	16.2
185.13313	14.0
193.10112	7.3
193.12323	7.3
195.11707	21.3
197.13310	11.1
199.14819	8.7
203.14391	6.8
207.11833	9.3
208.69260	6.9
209.13249	14.1
211.14859	9.7
213.16527	8.4
215.14445	8.9
221.13295	19.2
223.14777	9.0
227.12662	8.7
235.14911	9.2
239.14351	7.7
257.15298	8.7
271.16803	8.1
303.04962	14.4
303.19022	6.4
323.23694	10.9
333.22021	23.4
341.24728	13.3
345.14783	6.5
351.23166	63.8
369.24213	59.5
387.25348	36.8
438.11963	6.6
443.27982	32.2
461.29184	46.7
479.25363	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	479.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.1
55.01872	8.5
55.05519	47.4
57.03452	7.3
66.04726	5.4
67.05512	74.4
68.99798	6.0
69.03436	8.7
69.07079	36.5
69.66821	5.6
71.04977	12.7
71.53065	8.0
71.58743	5.2
79.05502	64.8
81.03403	28.0
81.07064	93.9
83.04989	16.3
83.08627	31.7
85.06535	12.2
90.93140	6.5
91.05489	100.0
93.07052	73.9
95.04975	20.9
95.08604	55.9
97.06533	19.7
97.10172	19.5
99.08018	6.3
105.07037	73.2
106.36559	6.1
107.04971	15.0
107.08596	48.9
109.06505	17.4
109.10164	29.8
111.08078	11.1
115.05480	7.9
117.07030	55.6
119.08598	44.8
121.06512	17.4
121.10170	31.7
123.08072	6.8
125.09664	7.4
128.06242	14.6
129.07016	62.7
131.08569	96.5
133.06541	10.7
133.10147	39.7
135.08035	9.9
135.11740	9.6
137.09592	10.8
141.05321	6.8
141.07028	24.4
143.08540	52.4
145.06473	8.4
145.10109	35.3
147.08020	13.4
147.11702	13.4
149.09622	13.0
149.13312	8.6
151.11131	7.6
155.08566	47.3
157.10153	29.0
159.07932	8.8
159.11726	22.0
161.06017	7.6
161.09653	8.5
163.11281	12.0
165.09117	23.5
167.08592	16.1
169.10149	18.9
171.11737	14.6
173.09641	7.4
175.11208	11.5
177.05545	10.4
179.08517	11.0
181.10043	15.9
182.10869	7.0
183.11755	16.2
185.13313	14.0
193.10112	7.3
193.12323	7.3
195.11707	21.3
197.13310	11.1
199.14819	8.7
203.14391	6.8
207.11833	9.3
208.69260	6.9
209.13249	14.1
211.14859	9.7
213.16527	8.4
215.14445	8.9
221.13295	19.2
223.14777	9.0
227.12662	8.7
235.14911	9.2
239.14351	7.7
257.15298	8.7
271.16803	8.1
303.04962	14.4
303.19022	6.4
323.23694	10.9
333.22021	23.4
341.24728	13.3
345.14783	6.5
351.23166	63.8
369.24213	59.5
387.25348	36.8
438.11963	6.6
443.27982	32.2
461.29184	46.7
479.25363	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	480.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93370	0.4
53.03944	1.8
55.01866	1.6
55.05509	0.5
62.06087	0.8
65.03951	1.8
67.05513	0.8
67.21321	0.5
69.03390	0.4
70.06584	0.8
72.08164	0.7
75.04488	3.4
78.04714	2.1
79.05515	2.0
81.03434	0.7
81.07040	0.7
84.04517	0.8
85.02911	3.0
85.51027	0.3
86.09719	0.5
89.03921	0.7
89.06001	1.0
90.99856	0.3
91.05490	10.4
93.03415	9.5
93.07064	5.2
95.04982	3.5
97.02870	0.4
97.06532	2.0
98.97543	0.4
99.04420	0.5
103.03970	0.4
103.05472	3.8
105.03448	0.5
105.04524	1.1
105.07027	0.9
106.04187	21.8
107.04979	2.5
108.11240	0.4
109.02866	0.7
109.06527	0.8
111.08091	0.5
117.03381	1.5
118.04163	0.7
119.04933	1.1
121.02879	0.8
121.06516	25.6
122.07271	0.6
123.04440	1.3
123.08080	0.6
124.05206	0.7
125.06009	6.9
127.03917	1.2
131.04939	2.1
133.06505	0.5
133.61366	0.4
134.03661	3.6
135.04431	0.9
137.05965	3.9
138.06760	1.2
139.07530	2.5
145.02859	1.3
145.04980	0.5
147.04401	0.5
148.05165	2.1
149.05997	41.1
151.07527	2.1
152.08311	0.9
153.05507	1.5
153.09119	10.0
161.06104	0.4
163.03941	1.8
163.07535	2.2
165.05475	0.6
166.06245	1.0
167.07040	3.9
177.05484	23.7
177.08971	0.7
180.07758	0.7
181.08609	16.9
182.09315	0.8
191.07059	1.5
195.06567	1.0
197.11746	2.1
199.47011	0.4
209.08107	100.0
210.08800	1.9
223.06085	1.3
262.39923	0.4
271.08179	0.4
272.07571	0.5
275.01672	0.4
283.08252	0.6
283.15436	0.4
338.05188	0.4
355.47833	0.5
369.13513	0.6
401.15955	0.5
477.62411	0.4
480.23108	0.6
481.26318	0.6
494.81488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82842	0.5
53.03941	0.7
55.01866	1.0
55.05262	0.6
55.05510	3.2
56.02397	0.5
57.03430	1.3
61.02909	1.1
62.16591	0.4
63.89836	0.5
65.22593	0.4
67.05514	4.0
69.03416	1.1
69.07053	2.4
69.66225	0.5
69.85912	1.9
69.86317	1.0
70.06566	0.8
71.04986	0.8
71.73689	0.4
73.02913	0.7
74.08274	0.5
79.05498	7.7
81.03429	2.3
81.07062	6.5
83.01395	0.5
83.04957	0.9
83.08625	3.7
85.02919	2.3
91.05481	2.5
93.07043	11.4
95.04963	3.2
95.08607	14.2
97.02878	2.2
97.06519	1.3
99.04453	1.5
105.07044	2.5
107.04967	3.8
107.08589	10.9
109.06538	0.7
109.10143	1.4
111.04420	0.6
111.08071	1.1
117.07024	3.4
119.08586	4.8
121.06532	2.2
121.10145	6.0
125.05959	1.6
127.03870	0.8
131.08574	0.6
133.10139	1.4
135.08070	1.2
135.11693	22.9
139.07530	0.8
139.11162	0.6
145.10121	12.2
153.12775	0.7
163.03789	0.6
163.11182	31.0
167.72188	0.5
173.09575	0.6
181.12225	6.9
193.12225	0.5
209.11705	1.8
227.12785	38.9
240.06677	0.7
283.15399	100.0
284.15576	0.8
286.17371	0.6
301.16684	0.7
394.25027	0.6
427.19519	0.7
445.20767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38668	0.7
55.01861	1.5
55.05503	3.3
57.03432	2.4
60.08154	1.5
61.02919	1.2
67.05504	4.0
69.03410	1.1
69.07051	2.3
69.89126	3.3
70.06613	0.8
71.05001	0.7
73.02905	0.7
79.05497	7.7
80.93717	0.6
81.03405	2.2
81.07063	7.6
83.04968	2.0
83.08620	3.4
85.02910	2.4
86.09706	6.6
91.05479	2.1
91.43262	0.7
93.07048	12.5
95.04965	2.2
95.08608	13.1
97.02890	3.0
97.06534	1.3
99.04434	2.1
103.03957	0.8
104.10719	0.7
105.07023	2.7
107.04960	3.2
107.08601	11.7
109.10160	1.2
113.49364	0.6
117.07006	2.8
119.08582	5.2
121.06513	2.7
121.10153	6.3
123.08105	0.8
124.24847	0.7
125.00026	4.8
125.05997	1.6
127.03910	1.5
132.10963	0.6
133.10135	1.9
135.08069	1.5
135.10704	1.3
135.11703	20.6
139.07562	1.2
145.04903	0.9
145.10135	12.9
153.12709	1.1
153.15823	0.7
163.11191	37.5
169.08611	1.6
173.09618	1.0
181.12250	7.8
184.07347	26.4
191.10722	0.7
209.11702	2.7
227.12790	46.6
231.17471	1.7
283.15408	100.0
284.15948	0.9
289.05228	0.9
301.16461	3.7
315.19617	0.9
321.10779	0.7
353.16031	0.7
394.19022	1.9
408.28833	0.8
436.20084	3.7
462.28467	1.7
477.49680	0.7
480.19104	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	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01873	1.5
55.05511	3.7
57.03427	2.7
57.07069	0.7
61.02917	1.9
67.05509	5.3
69.03432	1.3
69.07061	2.5
71.04993	1.3
71.48079	1.1
74.02446	0.8
79.05490	8.1
81.03410	3.0
81.07062	8.5
81.07498	1.3
83.04972	2.1
83.08618	3.8
85.02905	3.5
86.09708	5.2
91.03934	1.1
91.05481	2.7
93.07053	14.6
95.04954	2.7
95.08608	15.5
96.93110	0.7
97.02891	2.7
97.06528	1.8
99.04447	2.5
101.81687	0.7
103.03897	0.7
104.03676	0.8
104.10760	0.8
105.07063	4.9
107.04953	3.7
107.07891	0.8
107.08600	10.7
109.06535	1.5
109.10166	1.5
111.04394	0.7
114.81557	0.7
117.07037	3.3
119.08569	3.9
121.06492	3.6
121.10167	7.0
123.08036	1.3
124.99998	3.2
125.06011	1.1
127.03906	2.0
131.08585	1.0
133.10110	2.2
135.08047	1.4
135.11699	23.3
137.09633	1.3
139.07570	1.0
145.10123	12.4
147.11696	0.8
149.09625	1.0
163.11192	32.3
167.10770	0.8
169.08658	1.7
173.09593	1.1
181.12218	6.0
184.05785	1.5
184.07355	19.9
209.11757	3.1
227.12790	53.2
231.17514	2.8
283.15405	100.0
284.15732	0.9
289.05255	1.2
301.16443	4.1
305.21432	1.1
353.15939	1.4
354.03677	0.8
371.17310	0.8
394.19437	1.1
409.15002	1.0
436.20273	4.4
462.28455	2.1
465.85959	0.8
480.19193	20.5
480.25546	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	480.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80035	0.2
55.05516	0.2
56.05034	0.4
56.88596	0.2
57.03442	0.4
57.07091	0.3
58.06609	0.4
60.08167	5.9
61.91249	0.2
65.86038	0.2
67.05505	0.6
69.07073	0.6
70.03242	0.8
71.07372	2.5
72.51759	0.2
79.05506	0.5
81.07058	0.7
83.08632	0.4
84.08113	0.2
86.09710	28.0
91.05473	0.3
93.07063	0.6
95.08630	0.4
96.16097	0.2
97.06517	0.3
97.10159	0.3
98.98470	3.0
99.41046	0.2
104.10751	3.2
107.08636	0.4
121.10172	0.4
125.00007	20.0
143.01038	0.2
149.13487	0.2
184.07347	100.0
185.07787	0.3
205.19518	0.3
258.11111	0.2
280.27225	0.2
462.29938	1.4
480.30850	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	480.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05275	1.0
55.05520	11.9
56.02782	1.0
56.12428	0.8
57.03433	2.0
57.07073	4.3
62.06091	17.0
67.05508	6.2
68.67760	0.9
69.07076	13.4
70.70383	2.6
71.08640	2.1
79.05499	3.9
81.07052	8.0
83.08642	9.0
93.07043	4.3
95.08598	7.4
97.10180	5.3
98.06045	7.2
98.98456	4.5
99.96893	1.0
107.08582	2.2
109.10151	3.8
111.11707	1.2
112.75507	1.0
121.10160	3.1
123.11662	1.6
135.11716	1.5
142.02658	1.2
155.01056	4.4
198.05270	1.4
216.06345	1.8
239.56433	0.9
265.25223	2.5
308.29483	100.0
322.93198	1.0
339.28970	67.4
419.25708	3.5
462.20215	1.0
462.30087	5.0
480.30655	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	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.03933	0.5
55.05513	11.9
57.03440	6.3
57.07078	6.5
67.05505	10.1
69.07071	18.8
71.04972	0.5
71.08636	3.6
79.05497	4.2
81.06593	0.6
81.07058	11.1
83.04948	0.4
83.08623	11.6
85.06522	0.6
85.10175	2.0
86.09689	0.5
87.10007	0.3
91.05486	0.7
93.07040	5.9
95.08604	11.0
97.06556	1.5
97.10173	6.7
98.06066	0.6
98.21606	0.8
98.98444	0.6
107.08595	3.0
109.10178	4.3
111.08072	1.1
111.11735	2.1
112.88162	0.3
121.10145	5.6
121.28644	0.3
123.11706	1.3
124.01599	0.5
124.12225	0.3
125.09633	0.6
135.11682	3.9
137.13210	0.4
139.11174	0.6
147.76726	0.3
149.13271	1.8
150.64070	0.3
151.14731	0.4
163.14795	0.4
198.05284	0.4
216.06361	0.5
229.50060	0.4
233.66647	0.4
240.83992	0.4
247.24196	0.8
265.25284	1.4
308.25934	0.6
308.29489	10.7
339.28937	100.0
340.29285	1.1
409.96420	0.3
480.33469	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	480.309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84776	0.6
53.20193	0.6
54.63128	0.6
55.05507	1.6
55.70882	0.6
57.03435	1.1
58.06597	1.7
60.07885	1.1
60.08166	15.7
67.05495	2.3
69.07066	1.8
69.11935	0.8
69.74580	3.7
71.07382	6.4
79.05496	1.9
81.07056	2.3
83.08598	1.2
86.09711	47.4
88.87182	0.7
93.07050	2.3
95.08601	1.4
97.06507	1.5
98.20748	0.8
98.43952	0.8
98.98461	3.5
102.09505	0.7
104.10749	100.0
107.08593	1.6
109.10159	0.8
121.10176	1.2
125.00013	27.1
163.01563	0.8
178.12616	0.7
184.07353	96.6
297.24246	0.8
305.24429	0.8
409.56354	0.8
462.29831	8.8
480.30835	33.9
481.30646	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
55.05507	2.1
56.61634	0.8
62.26687	0.8
66.37283	0.8
67.05096	0.8
67.05500	4.7
67.17265	0.8
69.03403	2.2
69.07069	2.3
69.35202	7.7
70.06570	1.3
73.02895	0.9
79.05486	2.9
81.02990	1.0
81.03400	4.7
81.07065	5.0
83.04973	1.8
83.08596	1.6
85.02909	4.2
91.05486	4.2
93.07040	3.9
95.04944	1.2
95.08610	6.7
97.02842	1.0
97.06532	1.9
99.04411	1.2
99.37378	0.9
103.03986	0.9
105.07025	4.4
107.08569	3.9
109.02885	1.4
109.06529	1.8
109.10172	5.9
111.04456	1.0
111.08116	1.4
119.08574	12.1
119.24518	1.1
120.08062	2.1
121.10129	2.8
121.50348	0.8
123.08071	1.3
127.03894	2.6
131.08618	1.4
133.10127	14.5
135.08067	1.4
135.11702	3.1
137.06006	1.4
145.10147	2.0
147.11697	3.2
149.13245	1.4
151.11147	1.0
157.10004	1.0
162.80663	0.9
173.13142	1.4
175.03615	1.1
175.11194	1.1
175.14842	7.4
181.12218	1.7
185.04254	1.5
193.12227	2.6
203.05339	1.5
210.14912	1.9
227.05273	1.0
245.06305	7.0
279.54053	1.0
283.15384	1.2
284.15781	2.8
285.17029	6.1
287.03687	4.5
289.05313	100.0
290.05377	1.2
299.19070	1.0
303.05032	1.4
317.06638	2.6
318.06747	1.9
319.07028	4.3
319.22537	1.1
329.08414	2.6
356.46774	1.0
419.13409	1.0
421.10410	1.2
437.21490	1.3
465.18335	0.8
481.13092	49.0
481.20367	80.5
482.20929	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2799
Annotation	Glucosilsteviol
Peak:m/z	Relative Intensity
52.15158	0.8
52.26583	0.8
53.03942	2.2
55.01871	1.6
55.05508	4.8
55.23788	0.7
57.03418	2.9
61.02910	3.5
62.86951	0.7
67.05512	5.8
69.03092	1.0
69.03438	16.3
69.07072	4.0
69.64660	4.9
69.73215	0.7
70.06525	0.7
70.34605	0.9
71.04977	1.8
73.02911	2.2
79.05486	5.5
81.03070	0.7
81.03427	7.4
81.07048	8.3
83.04963	2.3
83.08606	1.6
85.02911	24.1
85.06521	1.0
87.04466	2.7
91.03936	1.2
91.05489	4.9
92.21682	0.8
93.07059	8.3
95.04966	3.0
95.08617	7.7
97.02895	9.0
97.06518	3.1
97.10153	2.5
99.04459	4.0
99.08113	0.9
101.02325	1.2
105.07034	8.3
107.04989	1.0
107.08591	9.1
109.02856	4.4
109.06526	1.1
109.10168	6.4
111.08046	1.9
117.07006	1.5
119.08575	5.7
121.06496	2.9
121.10152	7.3
123.08056	1.8
123.11701	1.9
125.09637	2.6
127.03934	7.6
129.07004	1.5
131.08546	4.4
133.10141	5.8
135.08087	2.5
135.11694	2.3
137.09630	3.6
139.11183	2.1
143.08525	2.9
145.04956	2.6
145.10138	5.8
147.08046	1.8
147.11678	3.0
149.09624	6.3
149.13245	1.5
151.11168	5.2
153.12892	1.1
155.08572	1.0
157.10136	5.2
159.08093	1.9
159.11720	3.0
161.09573	2.5
163.03964	0.8
163.11230	3.9
169.10097	1.7
171.11703	3.5
173.09637	1.9
173.13242	2.3
175.11201	2.5
177.09074	1.2
177.12749	5.3
183.11731	1.8
185.13283	1.7
185.86308	0.8
187.11258	1.4
187.14876	4.2
189.12727	1.4
193.12262	1.8
199.14809	4.0
201.12694	2.3
203.14388	1.0
215.14281	2.0
217.15854	1.1
225.16386	1.3
233.15427	1.2
241.15742	1.1
253.19681	0.9
257.19009	1.3
271.20645	4.9
273.21921	0.9
283.20618	2.6
301.21701	7.9
319.22653	27.1
437.21524	1.3
463.27289	1.2
481.20691	7.5
481.27942	100.0
482.27890	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	482.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42663	0.8
56.72978	0.9
70.61938	0.8
74.00407	0.8
74.38575	0.7
99.24541	0.8
139.91479	100.0
298.66931	1.1
381.07953	39.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.0312
Annotation	Unknow
Peak:m/z	Relative Intensity
71.50970	1.3
139.91479	100.0
140.06836	6.4
186.38158	1.2
215.98561	1.3
240.95605	1.6
347.55786	1.8
381.07983	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76814	0.4
53.03941	0.8
55.01865	0.8
55.05509	4.0
57.03441	4.9
61.02919	1.8
65.03940	0.8
67.05505	6.2
69.03423	1.7
69.07061	1.6
69.74523	2.3
71.04991	1.5
73.02925	0.7
76.14800	0.4
79.05499	7.2
81.03422	23.2
81.07058	8.2
83.04986	6.1
83.08622	9.5
85.02911	10.2
85.06535	0.8
86.09701	0.9
88.43099	0.4
91.03975	0.5
91.05481	8.6
93.07050	4.7
95.04965	9.2
95.08609	3.5
97.02887	2.2
97.06516	1.8
97.10138	1.1
98.21486	0.5
99.04413	0.5
105.06402	0.6
105.07045	5.8
107.04948	2.4
107.08607	2.7
109.06516	2.0
109.10152	0.8
111.04430	1.1
111.08067	3.8
119.08584	6.1
121.06491	0.8
121.08405	0.6
121.10148	3.0
123.08040	1.0
127.03886	0.7
129.07019	3.1
131.08565	4.5
133.06506	0.8
133.10146	3.7
137.09619	1.1
137.26750	0.4
138.09157	1.2
142.07828	1.1
145.04948	0.7
145.10095	0.8
147.08037	1.3
147.11691	5.9
149.09644	2.4
151.03926	0.9
152.84895	0.4
157.10147	5.0
163.11192	0.5
165.12744	1.8
166.08646	3.5
175.11221	7.6
176.07124	0.5
184.07312	1.0
193.12253	25.8
196.61404	0.4
199.13362	0.5
211.13306	20.1
227.86896	0.4
229.14330	0.7
243.98422	0.5
256.31714	0.5
267.15900	6.5
285.16971	100.0
286.17236	1.0
411.20398	0.6
429.21286	1.0
447.22101	2.0
482.16071	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43027	0.6
53.03938	1.4
55.01851	1.3
55.05515	4.9
57.03449	4.8
61.02930	3.6
67.05506	7.3
69.03416	2.7
69.07074	3.3
69.49621	5.2
71.04982	1.9
73.02913	0.6
78.81555	0.7
79.05499	8.4
79.42670	0.7
81.03420	39.9
81.07058	10.1
83.04986	6.8
83.08620	14.6
85.02431	1.1
85.02901	11.1
89.39528	0.6
91.03941	1.3
91.05489	11.6
93.07061	5.6
95.04971	13.2
95.08599	3.0
97.02863	1.9
97.06473	1.5
97.10181	1.9
98.20824	1.4
99.08076	0.9
102.93795	0.8
105.07029	8.3
107.04939	2.4
107.08587	2.2
109.06514	2.1
109.10137	1.2
111.04457	1.6
111.08088	6.3
119.08573	8.3
121.10133	4.3
123.08068	1.2
123.11687	0.7
129.07014	5.2
131.08563	5.0
133.10146	5.8
137.09608	1.3
142.07771	1.4
147.08069	2.1
147.11682	11.2
149.09605	3.5
157.10136	7.2
165.12759	2.3
175.11180	9.8
188.75620	0.7
193.12250	39.3
211.13298	33.5
229.14285	0.8
267.15945	15.6
285.16980	100.0
286.17105	1.1
335.27927	0.7
475.91788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41331	1.8
53.03947	4.5
53.84396	1.9
55.01863	5.3
55.05521	8.9
55.05736	1.8
57.03434	4.7
57.07063	10.5
61.02907	5.6
67.05493	6.6
69.03436	21.0
69.07074	59.3
70.14421	1.6
70.14772	8.1
70.24841	1.9
71.05012	9.3
71.08628	7.2
73.02906	2.9
73.06541	8.1
74.74533	2.3
75.05201	2.0
75.46210	1.9
77.41096	1.8
79.05489	4.6
81.03429	21.9
81.07042	4.2
83.04999	1.9
83.08606	3.7
85.02906	48.2
85.06495	2.1
85.10139	3.3
87.00840	22.3
89.06034	27.2
91.05478	5.3
93.07001	3.9
95.08585	1.8
97.02898	30.5
97.06530	2.6
99.04450	8.8
105.01872	37.2
105.07012	3.7
107.08592	2.4
109.02891	20.0
109.10155	5.4
110.32701	1.8
111.10937	3.7
111.11726	74.5
117.01833	2.5
118.65887	1.7
119.08563	2.6
123.85386	1.8
127.03923	40.7
129.01801	2.8
129.12762	100.0
133.10152	2.3
145.04935	16.4
147.02881	2.1
149.09569	2.7
159.02919	9.0
179.82536	2.4
193.12357	2.3
199.16939	14.7
213.03940	3.1
217.17992	17.3
231.05078	11.2
249.06099	3.7
340.40714	1.8
359.16809	2.1
482.29163	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	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35588	2.1
53.03949	6.3
55.01871	5.6
55.05520	10.3
55.97041	1.8
57.03433	5.4
57.07087	14.2
59.04996	3.6
59.43414	1.9
61.02924	4.5
66.91759	1.9
67.05504	6.0
69.03426	21.6
69.06686	2.4
69.07069	47.3
71.05000	4.8
71.05832	4.9
71.08627	9.0
73.02921	6.2
73.06553	10.9
76.20272	2.0
79.05529	2.8
81.03423	19.8
81.07079	5.7
83.08632	3.7
85.02914	45.7
85.10216	2.6
87.00832	27.0
89.06052	24.3
91.05492	4.4
93.07054	3.3
95.08636	3.3
97.02901	32.5
99.04465	9.5
105.01874	39.7
105.07058	3.6
107.08621	3.5
107.71790	2.0
108.09004	2.0
109.02882	15.0
109.10160	5.1
111.11729	70.8
115.04002	2.1
119.08689	2.3
121.10186	3.2
124.30859	2.0
127.03922	45.5
129.12764	100.0
133.10127	4.7
137.00882	2.0
145.04996	26.0
151.11282	3.0
159.02936	7.8
159.24759	2.2
164.41396	2.1
170.15414	3.4
199.16966	21.1
217.18050	20.9
231.04994	16.5
249.06050	6.8
359.16663	3.3
464.26752	3.0
482.28851	3.7
501.97656	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	482.2751
Annotation	18-Demethylpubescenine
Peak:m/z	Relative Intensity
53.03933	10.3
55.01865	11.8
55.05515	24.4
61.71751	9.2
67.05499	45.2
69.03425	32.7
69.07066	21.0
70.69402	11.5
70.69729	26.2
72.04204	9.5
79.05494	36.8
81.03412	15.8
81.07065	100.0
83.04990	19.4
84.04508	29.2
85.02916	17.1
88.29447	10.1
91.05486	45.7
93.07058	78.0
93.42249	12.3
94.07359	11.0
95.05000	19.4
95.08604	70.3
96.08984	11.4
97.06530	46.9
97.10241	16.6
98.20872	12.2
99.04479	12.6
102.05551	15.4
104.81370	11.4
105.07053	78.0
105.98056	10.6
107.08608	69.8
109.02876	14.3
109.06528	12.4
109.10140	52.8
117.07009	22.9
119.08594	67.5
121.06545	35.1
121.10167	40.0
123.08060	15.6
123.11746	21.8
125.09650	12.0
127.03909	23.6
131.08554	37.3
133.06480	10.0
133.10161	44.4
135.08057	22.0
135.11723	25.9
139.11205	12.5
143.08585	20.0
145.10129	55.7
147.08043	20.4
147.11682	31.0
149.09654	33.6
151.11157	15.2
155.08601	15.1
156.09337	10.2
157.10138	45.8
159.11656	56.8
159.41917	10.5
161.09654	12.9
161.13219	22.2
163.11185	38.6
169.10085	24.5
171.11728	27.1
173.13329	19.2
175.11162	35.6
177.09180	11.3
177.12714	15.8
183.11743	24.0
184.07387	10.4
185.13274	30.8
189.12782	31.3
197.13249	15.6
199.14928	20.7
201.12737	14.2
203.14314	30.0
209.13397	13.1
217.15977	16.0
241.16208	12.5
243.21251	10.6
247.81569	10.7
253.19524	27.7
271.20645	42.3
281.19012	39.1
299.20016	66.7
317.21082	18.2
318.11191	10.6
446.25250	33.8
482.28040	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	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05032	1.4
57.03440	0.5
57.07083	3.1
58.06606	1.5
60.08169	15.0
62.30793	0.3
64.71391	0.3
67.05497	0.8
69.07068	1.0
69.99724	1.2
71.07381	5.4
71.08630	2.3
72.03233	0.3
78.86169	0.3
81.07056	0.9
83.08630	0.9
85.10201	0.5
86.09712	49.1
95.08619	1.2
96.30183	0.3
97.10141	0.3
98.98479	3.4
104.10751	100.0
105.11118	0.4
109.10157	0.4
125.00015	26.5
150.10934	0.4
163.01587	0.7
166.06326	0.3
184.07353	93.4
219.99957	0.3
258.11090	1.2
299.25827	2.3
311.25897	1.2
392.45535	0.3
405.24130	0.4
464.31451	9.1
482.32477	37.8
483.32703	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05037	0.5
57.03412	0.3
57.07077	0.7
58.06358	0.2
58.06628	0.5
59.07405	0.2
60.08167	5.8
65.13964	0.2
69.07055	0.2
70.06579	0.2
70.97233	0.3
71.07376	2.5
71.08636	0.3
81.07040	0.3
85.10210	0.3
86.09708	26.9
94.27528	0.2
95.08603	0.4
98.98473	2.5
104.10743	3.2
125.00008	18.5
139.30646	0.1
143.01089	0.3
161.21031	0.2
166.52151	0.2
184.07346	100.0
185.07669	0.3
225.58998	0.2
242.56393	0.1
299.25763	0.5
437.33984	0.2
464.31393	1.5
482.32498	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	483.12
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10140	0.9
58.90236	0.9
69.03427	1.7
69.57017	6.4
74.91607	0.9
76.38671	1.0
82.99863	2.8
85.02897	3.3
89.23609	1.0
97.02880	2.8
101.00270	1.5
101.00880	15.6
109.02884	1.0
113.00834	5.5
115.02422	1.5
119.01920	18.7
122.01383	2.2
127.02413	3.2
127.03934	1.4
128.01341	1.2
131.01906	12.5
133.03474	1.8
137.00925	1.1
137.01892	1.5
139.02429	1.3
142.72469	1.0
143.01903	29.1
145.03468	11.2
145.04628	1.4
145.04820	1.1
147.01355	1.3
149.01840	1.0
149.02945	1.5
149.90706	1.1
155.01894	28.3
157.03490	7.1
159.01390	3.1
161.02951	20.2
167.01901	11.5
169.03476	4.1
171.05093	3.3
173.02968	39.1
175.04561	1.8
177.02380	4.6
179.01820	5.2
183.01450	3.8
183.05032	1.0
185.02963	43.6
187.04506	3.8
191.02048	1.1
191.03995	1.5
195.09859	0.9
197.02957	17.7
200.48433	1.0
200.98375	2.8
201.02455	68.2
203.04028	13.5
209.02960	3.1
213.02467	12.7
215.04022	8.6
219.03510	83.5
220.03850	1.6
221.05029	2.5
224.04350	2.3
225.02475	1.7
227.04030	11.4
229.05505	1.0
231.03537	10.7
233.04985	1.3
237.02422	2.8
237.04401	2.4
239.03928	1.8
242.05122	2.0
243.03600	3.1
245.05083	100.0
246.05304	1.2
249.04555	7.9
254.05740	1.3
255.03448	5.5
257.04971	4.9
261.04556	16.7
263.06180	12.1
273.04492	2.2
275.06122	12.1
279.05560	6.2
285.04575	2.9
291.05490	2.0
293.07141	4.0
303.02094	1.3
303.05618	30.6
305.07318	9.4
321.06665	48.6
335.08194	5.8
339.07413	1.2
365.09265	11.0
381.10995	1.3
483.11923	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	483.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
53.11544	1.2
55.01867	1.8
55.05288	1.4
55.05518	9.1
57.03436	3.2
58.04118	1.3
59.04997	1.3
61.02919	2.8
66.24001	1.4
67.05525	10.1
69.03425	8.2
69.06732	2.0
69.07075	29.5
69.41761	10.4
71.05000	3.3
72.43964	1.5
79.05076	1.5
79.05498	18.4
81.03428	10.5
81.07066	24.8
83.04986	3.9
83.08625	3.5
83.71783	1.2
85.02917	3.2
85.06525	3.0
86.09730	1.6
89.03908	1.7
91.05487	6.5
93.07053	11.5
95.04979	6.3
95.08615	14.5
97.02906	3.0
97.06535	81.5
97.10175	5.3
99.04461	5.7
99.08105	1.8
105.07053	10.0
107.04951	2.1
107.08625	11.6
109.02895	4.4
109.06532	3.3
109.10144	11.4
111.04443	1.5
111.08099	4.4
111.11728	2.5
112.38153	1.2
117.03381	3.4
119.08585	8.5
121.06557	2.4
121.10162	10.4
123.11701	6.9
125.09620	1.9
127.03930	4.8
129.06989	1.8
129.09126	2.6
131.08574	4.4
133.02892	2.4
133.06544	2.2
133.10152	7.2
135.04436	6.0
135.08060	2.3
135.11705	5.7
136.12495	1.2
137.09636	4.8
137.13289	1.9
139.11198	3.0
141.06929	2.0
143.08554	1.8
145.02869	5.1
145.10144	4.4
147.04346	2.0
147.08037	1.5
147.11707	5.6
149.09644	2.2
149.13301	3.0
151.11156	2.0
153.12813	3.0
157.10152	2.8
157.12286	2.4
159.04398	7.5
159.08099	1.8
159.11621	2.8
161.02348	25.2
161.09682	2.5
161.13286	2.5
163.03922	52.8
163.11125	2.4
165.09142	1.8
165.12772	1.5
169.06435	1.6
171.11761	1.8
173.02354	54.3
173.13333	2.4
175.11209	3.2
175.14890	2.9
184.07310	2.2
185.06032	3.5
189.09088	1.2
189.12778	1.2
191.03502	1.7
197.06065	1.6
203.12709	1.8
215.07048	83.2
217.12244	4.7
217.15929	1.7
217.91132	1.4
235.13286	6.2
235.49544	1.4
241.08664	14.7
259.09668	24.9
273.11276	15.8
273.22543	1.6
275.23798	3.1
291.12277	100.0
303.23160	7.5
321.24225	3.8
338.14291	1.2
452.56711	1.4
465.28299	3.6
483.22379	1.8
483.29410	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	483.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.1
55.01875	1.3
55.05506	3.7
57.03433	1.8
59.09380	1.0
61.02919	1.4
65.03945	1.0
67.05500	5.4
69.03431	5.0
69.07076	9.1
71.04980	2.3
71.53410	1.2
79.05502	5.7
81.03403	5.3
81.07062	16.0
83.04940	1.4
83.08605	2.1
85.02917	9.3
86.82863	0.8
91.05481	4.0
92.26533	0.9
93.07046	8.0
95.04942	3.9
95.08054	1.5
95.08611	14.3
97.02892	3.7
97.06527	17.9
97.10160	2.2
99.04461	2.5
103.03938	1.6
105.07039	7.3
107.08588	7.5
109.02875	3.5
109.06485	2.7
109.10144	6.7
111.04433	1.0
111.08076	4.3
111.11742	1.2
117.03382	1.3
117.06998	1.9
119.04906	1.1
119.08595	7.7
121.06520	2.4
121.10148	6.0
123.08051	2.8
123.11701	3.9
125.09635	1.1
127.03901	4.4
129.06953	1.2
131.08548	4.1
132.69247	1.0
133.02818	1.4
133.10141	5.2
135.08026	3.4
135.11670	4.7
137.09612	2.5
137.13261	1.2
139.11168	2.1
143.08551	2.5
144.05745	1.2
145.02859	1.2
145.04962	2.2
145.10159	5.6
147.08070	2.1
147.11710	7.2
149.09605	2.7
149.13240	1.0
151.07635	1.0
151.11185	1.2
155.08548	1.3
157.10110	4.2
157.12143	1.1
159.11705	5.0
161.02371	2.4
161.09612	1.9
161.13211	4.7
163.03914	10.0
165.12755	1.0
169.10107	2.6
170.04237	1.1
171.11650	4.1
173.00975	0.7
173.02338	20.0
173.03844	1.0
173.13249	3.8
175.11215	2.2
177.12685	1.7
183.11720	1.9
185.13235	1.3
187.11255	1.5
187.14810	1.8
189.12788	5.8
189.16394	1.5
191.14310	1.1
193.12183	2.3
197.13251	4.1
199.14812	2.8
201.12700	1.3
201.16507	1.2
207.10188	1.8
213.08981	1.2
215.07040	17.9
217.15974	1.3
217.19450	1.1
219.13835	6.4
227.17961	13.6
229.19487	2.8
235.13310	1.1
235.16954	5.3
239.17993	5.9
241.08597	9.9
242.05666	1.3
245.18974	10.2
257.18967	7.5
259.09677	15.4
273.11218	23.7
275.20071	47.6
285.22137	1.3
291.12137	1.6
303.23239	3.1
321.20605	100.0
447.27426	1.7
465.20746	1.3
465.28159	1.4
483.21533	4.0
483.27618	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	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	20.3
57.03433	7.6
57.07081	10.4
58.34690	0.7
67.05496	2.5
69.07071	25.7
69.82417	4.8
71.08638	6.7
79.05492	2.2
81.07076	4.1
83.05036	0.9
83.08619	19.1
85.10223	1.8
93.07027	2.2
95.08609	3.6
96.92243	0.9
97.06535	1.8
97.10173	14.4
98.98460	7.7
102.06801	0.8
105.85696	0.8
106.08009	0.7
107.08595	2.6
109.10165	1.8
111.08120	0.9
111.11755	3.8
121.10143	2.7
125.13252	1.0
135.11685	2.0
141.66545	0.8
142.13693	0.9
155.01028	3.6
157.15228	0.8
163.14806	0.8
196.12044	0.8
311.25809	100.0
312.26181	1.3
315.65717	0.8
406.13843	0.9
447.24982	2.5
452.73160	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2956
Annotation	Fusicoccin H
Peak:m/z	Relative Intensity
55.01873	2.4
55.05503	4.9
67.05495	5.4
69.03416	2.5
69.07081	4.1
71.52869	3.0
78.35015	1.5
79.05485	4.3
81.03421	2.2
81.07065	9.4
83.04953	2.8
83.08617	4.1
85.02880	4.1
91.05458	3.4
92.44274	1.6
93.07048	6.7
95.08595	8.3
97.06522	4.8
100.59383	1.5
101.40800	1.6
105.07049	6.2
107.08619	7.9
109.02929	2.1
109.06520	2.3
109.10165	5.9
112.21709	1.6
119.08575	5.9
121.10141	3.0
123.11713	6.6
131.08620	1.8
133.10101	2.8
135.11736	2.3
147.11702	4.7
149.13229	2.3
157.10173	3.0
159.07968	2.1
159.11740	4.3
163.14781	2.4
171.11694	4.1
175.14865	1.9
177.12778	3.4
185.13274	2.4
189.12831	1.9
197.13338	1.9
203.14308	8.7
215.14406	3.9
229.15817	2.3
243.17346	1.8
250.32535	1.6
267.21069	3.4
273.22214	7.1
285.22116	9.1
303.23193	20.8
321.24246	100.0
348.62140	2.0
406.38153	1.8
483.16281	2.4
496.01489	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	485.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.05502	1.3
65.03948	0.8
65.62942	0.2
67.01869	3.6
67.05506	1.2
68.93316	0.3
69.03415	0.7
69.07068	1.6
71.04978	0.9
71.52686	0.5
79.05493	0.7
81.03411	1.8
81.07059	2.9
83.08614	0.5
84.04494	1.5
85.02893	0.9
85.06517	0.4
86.09686	0.3
88.53197	0.2
89.03908	1.3
91.05481	9.7
93.07040	2.0
95.04978	0.7
95.08597	2.5
97.02880	0.8
97.06542	0.8
97.10162	1.0
99.04449	1.1
102.05556	0.5
105.07023	0.9
107.08609	1.4
109.02876	5.3
109.06512	0.4
109.10161	0.9
110.17341	0.2
111.08085	0.5
117.03385	2.8
119.04947	20.8
119.08583	1.1
120.08082	0.3
121.10120	1.3
123.11720	1.2
125.09644	0.3
127.03921	8.1
130.04961	0.4
131.08592	0.4
133.10126	0.9
134.03725	0.3
135.04427	0.3
135.11707	0.6
137.05963	0.3
137.09641	0.5
139.11156	0.3
141.06921	0.3
145.02847	6.2
145.06595	0.2
145.10124	0.6
147.04411	100.0
148.04836	0.5
148.06065	0.5
149.05995	1.1
149.13255	0.6
159.11691	0.4
163.03886	0.4
163.11139	0.4
165.09134	0.3
177.05472	13.2
186.05576	0.3
213.05515	0.4
255.06587	1.4
273.07562	7.0
293.04657	0.3
301.21674	0.6
302.22070	0.6
304.76132	0.3
305.24731	0.5
320.22983	0.4
405.49164	0.3
423.48917	0.2
425.11783	0.3
429.07898	0.3
485.14380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.2
52.64884	0.2
53.03944	0.3
55.01863	0.2
55.05513	0.3
57.17394	0.1
57.31015	0.1
60.02296	0.2
63.02372	0.2
65.03941	0.8
67.01867	3.1
69.03459	0.1
69.07076	0.3
69.76854	0.7
71.04989	0.4
79.05494	0.2
81.03412	1.4
81.07054	0.5
82.06839	0.1
83.08638	0.1
85.02919	0.6
86.09708	0.2
89.03906	0.9
91.05482	8.0
92.59414	0.2
93.07049	0.3
95.04943	0.2
95.08606	0.4
97.02878	0.3
97.06562	0.2
99.04464	0.8
107.08612	0.2
109.02879	4.5
109.03606	0.3
109.10099	0.2
117.02602	0.3
117.03384	2.3
119.04947	18.9
127.03924	7.7
133.10149	0.2
134.01030	0.1
134.03566	0.1
135.04408	0.1
135.11662	0.2
145.02850	4.8
147.04414	100.0
148.04721	0.4
149.06006	0.7
149.13304	0.2
161.13159	0.1
177.05475	10.6
184.07326	0.4
185.05989	0.2
213.05569	0.3
237.18457	0.2
255.06477	1.5
259.09698	0.3
273.07571	8.5
303.08536	0.2
305.24493	0.2
312.22345	0.1
403.83963	0.2
485.14203	0.5
505.75391	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	485.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70256	0.1
52.39676	0.1
53.03936	0.5
55.05514	0.3
65.03933	0.7
66.52158	0.1
67.01867	3.2
67.05500	0.6
69.03426	0.4
69.07061	0.7
69.17536	0.2
69.17858	1.5
71.04986	0.7
79.05503	0.4
81.03431	1.5
81.07047	1.1
83.08611	0.2
85.02911	0.7
89.03920	0.9
91.05482	7.8
92.46420	0.1
93.07049	0.8
95.04987	0.2
95.08606	1.2
97.02896	0.5
97.06517	0.3
97.10152	0.3
98.20730	0.3
99.04449	1.1
105.07040	0.6
107.08559	0.7
109.02878	4.5
109.10172	0.5
111.08083	0.2
117.03380	2.8
117.07015	0.2
119.04942	19.8
119.08586	0.3
120.88149	0.2
121.06536	0.2
121.10155	0.5
123.11709	0.5
127.03912	8.2
131.08549	0.2
133.10139	0.3
134.03609	0.3
135.04414	0.2
135.11717	0.3
139.11252	0.3
143.08548	0.2
145.02846	5.7
145.10101	0.2
147.04408	100.0
147.39354	0.1
148.04756	0.6
149.05984	0.8
149.13242	0.4
159.11581	0.2
161.13274	0.3
163.03938	0.3
173.13280	0.2
177.05469	11.9
185.06075	0.2
186.05492	0.2
213.05501	0.3
227.07155	0.2
255.06514	1.8
259.09637	0.2
267.65164	0.2
273.07571	8.9
285.07559	0.2
300.88629	0.1
303.08649	0.7
305.24765	0.3
358.11343	0.2
449.28671	0.2
485.13815	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	485.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46663	0.2
51.02396	0.2
53.03942	0.5
55.01877	0.2
62.89859	0.2
63.23222	0.1
65.03947	0.7
67.01871	3.6
67.05508	0.3
69.07063	0.2
70.23109	0.3
70.23502	0.4
71.04989	0.6
79.05508	0.1
81.03420	1.8
81.07072	0.5
85.02911	0.2
89.03909	0.9
91.05488	7.6
93.07070	0.2
95.04953	0.3
95.08611	0.5
97.02898	0.3
97.06527	0.2
99.04453	0.9
105.07031	0.2
107.08591	0.2
109.02142	0.2
109.02888	4.8
109.10183	0.2
117.03388	2.4
119.04951	21.7
127.03925	7.6
133.10141	0.2
137.05948	0.2
145.02853	4.5
147.04417	100.0
148.04816	0.5
149.05994	0.6
177.05484	8.5
182.87070	0.1
185.06116	0.1
213.05440	0.5
227.06908	0.2
255.06552	1.3
259.09787	0.2
273.07584	8.8
277.48505	0.2
303.08658	0.3
366.20343	0.2
443.07657	0.2
485.14395	0.5
485.20630	0.2
485.29013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1999
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
55.05499	0.3
63.68910	0.3
64.37767	0.3
67.05513	0.6
69.03430	1.0
69.07072	0.3
69.21959	2.6
70.06602	0.3
73.02910	0.2
73.54981	0.3
79.05502	0.5
81.03422	0.8
81.07069	0.5
83.04984	0.8
83.08562	0.3
84.08151	0.3
85.02917	1.3
89.05466	0.3
91.05489	0.6
93.07042	0.5
95.04991	0.4
95.08605	0.5
97.02882	0.6
97.06519	0.5
99.04472	0.5
105.07016	0.6
107.08637	0.5
109.02885	1.1
109.06557	0.5
109.10165	0.4
111.04445	0.3
119.08597	0.5
121.06552	0.5
121.07433	0.2
121.10174	0.6
127.03944	1.1
131.08612	0.4
133.10150	0.4
135.04456	0.5
135.11757	0.3
137.09747	0.3
139.07793	0.3
145.02835	0.3
145.04965	0.3
147.04411	0.4
148.11946	0.3
149.05997	0.4
155.81389	0.3
157.10019	0.4
159.11697	0.4
163.03908	1.1
177.12779	0.6
184.07433	0.6
195.10475	0.3
195.98953	0.3
203.05264	0.7
219.13878	0.8
237.14864	0.4
249.10977	2.0
249.18102	0.3
259.07782	1.5
263.86337	0.2
280.18011	0.3
305.13495	0.6
307.24417	0.3
321.14697	0.4
323.14676	6.2
323.18448	0.3
338.24078	0.4
485.19980	100.0
486.20270	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57055	0.2
51.65919	0.2
56.05037	0.5
57.03421	0.3
58.06617	0.5
60.08169	6.1
61.02280	0.2
67.05507	0.5
69.07072	0.3
69.54104	0.2
70.06593	0.3
71.07371	2.7
71.51498	0.2
76.74757	0.2
79.05508	0.6
81.03423	0.6
81.07066	0.6
83.04990	0.2
85.02909	0.3
86.09712	29.5
91.05502	0.7
93.07048	0.5
95.04994	0.3
96.86642	0.2
98.98478	2.4
104.10751	15.1
105.07048	0.5
107.08552	0.2
110.19966	0.2
119.08611	0.3
121.10161	0.4
125.00014	20.3
126.05534	0.3
131.08588	0.2
147.11708	0.4
149.09628	0.4
155.42416	0.2
175.11192	0.3
184.07353	100.0
185.07849	0.3
193.12315	0.2
221.11755	0.5
239.12883	0.3
258.11026	0.3
412.62802	0.2
432.21289	1.5
450.22552	16.4
451.22870	0.3
468.23453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.05503	4.5
57.03434	2.2
57.07075	4.2
61.02937	2.3
61.52531	1.4
69.03430	12.6
69.15881	7.5
69.16296	4.9
70.06602	3.2
71.04991	3.9
73.02911	4.0
79.05511	1.4
81.03426	14.7
81.07037	2.9
83.04984	2.1
83.08618	2.5
84.04515	2.0
85.02908	69.7
86.06087	1.4
86.09699	4.5
87.04427	1.8
89.06042	15.3
91.05462	1.8
93.07079	2.0
95.00941	1.3
95.04983	1.6
95.08583	2.4
96.61500	1.4
96.76610	1.5
97.02901	26.2
97.06523	4.7
99.04461	40.7
101.09656	7.9
103.03947	84.3
105.07026	2.1
107.07071	16.7
107.08588	1.6
109.02885	20.1
109.10119	1.8
111.04434	1.6
119.04929	2.0
121.10149	1.8
125.05999	1.4
127.03922	100.0
129.05428	2.0
136.98016	1.4
145.04970	54.2
147.04405	8.9
147.06541	1.5
148.04755	4.3
163.03883	4.0
163.06026	61.0
163.13307	59.1
166.14966	1.6
187.06055	4.3
205.07143	5.7
215.06895	1.6
217.07053	1.7
233.21013	1.3
235.82202	1.3
243.97304	1.4
259.09628	6.5
271.08179	10.2
289.09286	8.0
297.93973	2.0
307.10239	19.5
470.27744	1.4
486.19824	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	486.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01875	2.1
55.05515	22.4
56.05040	5.8
57.03448	2.0
57.07083	6.5
59.05003	1.9
65.03934	1.7
67.05509	22.2
69.03427	8.9
69.07074	41.3
69.26274	9.6
70.06593	1.7
71.04995	3.1
75.62141	1.0
79.05495	12.8
81.07063	73.4
82.07399	1.1
83.04994	4.3
83.08619	5.3
84.04510	100.0
85.02900	4.1
85.04778	1.2
85.06549	6.4
86.09702	2.2
88.16846	1.1
91.05489	9.0
93.06480	2.4
93.07050	34.6
95.04961	6.6
95.08616	57.6
97.06523	12.8
97.09550	2.0
97.10180	37.0
99.08082	2.6
102.05548	52.8
105.07038	20.6
107.08603	26.0
109.06538	6.9
109.09478	1.7
109.10172	23.6
111.04404	1.8
111.08088	8.5
111.11737	11.1
117.07021	2.0
119.07823	1.2
119.08598	16.7
119.20625	0.9
121.06528	3.6
121.10153	27.6
123.08098	5.9
123.11713	48.0
124.99978	1.7
125.09624	7.2
127.03860	1.2
130.05013	46.6
131.08578	5.3
133.10161	10.1
135.08083	3.4
135.11693	17.7
137.09628	4.2
137.13271	3.4
138.12782	4.1
139.11194	31.8
140.32042	1.0
143.10710	1.3
145.10110	8.0
147.04411	2.1
147.11694	19.0
147.28783	1.1
148.06061	51.2
149.09650	2.8
149.13287	5.8
151.11163	7.4
153.12738	3.2
156.85812	1.2
157.10214	2.5
157.12247	19.2
159.11693	16.4
160.11240	9.2
161.09651	1.3
161.13289	6.9
163.03929	3.6
163.11191	4.3
163.14830	2.7
165.09079	1.7
165.12796	11.4
167.10765	1.2
169.12204	1.2
171.11736	1.8
172.85400	1.2
173.13292	3.6
175.14903	5.1
177.12758	4.5
177.16386	1.7
179.14311	2.2
181.12271	1.6
184.07277	1.5
184.13324	8.0
185.13242	2.0
187.13351	1.7
187.14844	6.8
189.16399	2.2
191.14255	1.8
201.16360	2.5
203.12769	10.4
203.14349	1.3
205.15875	2.0
211.14861	1.7
215.18045	1.6
216.13448	1.1
219.17416	1.8
229.15970	2.2
229.19644	2.3
231.17558	1.2
233.15404	2.9
233.18898	1.2
240.15956	2.0
247.16953	1.1
250.14558	1.7
251.16554	1.5
257.22635	2.5
258.08878	9.4
259.09692	5.7
259.20621	2.3
263.23849	2.5
265.40366	1.1
267.21082	2.7
268.15448	15.7
272.14932	2.2
273.22089	3.0
275.23703	8.0
277.21515	2.1
285.22202	7.4
286.16486	14.0
291.23303	7.4
298.16473	2.0
300.14328	2.2
303.23196	20.8
303.26456	2.1
309.24112	1.4
314.15958	11.5
316.17630	3.3
321.24222	5.7
322.87164	1.1
328.17294	1.7
346.18518	1.2
352.21201	1.3
392.27631	2.4
404.27957	4.4
406.25925	3.2
420.27475	8.7
424.27014	2.4
432.27457	15.7
438.28571	13.4
449.73059	1.1
450.28552	26.9
468.29593	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	486.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88758	0.7
53.03959	1.5
55.01871	1.9
55.05512	22.0
56.05035	6.4
57.03432	2.4
57.07080	5.2
59.04998	1.5
67.05507	22.0
69.03433	8.9
69.07072	43.3
70.06595	2.6
71.04996	2.1
71.08638	1.0
71.51828	0.9
71.52206	1.0
73.06590	0.8
79.05495	11.9
79.17487	0.9
81.03413	1.6
81.07062	64.7
82.07423	1.6
83.05002	5.1
83.08617	4.7
84.04508	100.0
85.02911	2.9
85.06556	5.6
91.05489	7.1
93.07047	26.9
94.07344	1.1
95.04978	6.4
95.08611	48.4
96.08945	1.2
97.06532	9.3
97.10169	34.2
98.10519	1.4
99.04475	2.0
99.08105	3.4
102.05549	50.0
105.07035	16.0
107.08598	22.6
109.02892	2.0
109.06537	7.5
109.10170	17.4
111.08090	7.2
111.11736	13.7
115.11205	2.1
117.07070	1.5
119.02846	0.8
119.08595	13.2
120.08149	1.0
121.06513	2.4
121.10149	24.1
122.10452	0.9
123.08092	3.8
123.11710	43.4
125.09600	1.9
125.13242	0.9
127.03942	1.9
127.07649	1.1
128.33035	0.8
130.05008	41.0
131.03397	1.1
131.08591	3.9
133.10147	9.1
134.10562	0.8
135.08069	1.6
135.11691	14.8
137.09636	3.7
137.13277	5.2
138.12759	6.1
139.11186	34.4
144.09233	1.0
145.10143	6.9
146.06097	0.9
147.04436	6.0
147.11694	15.2
148.04884	2.3
148.06049	47.6
149.09612	3.0
149.13268	4.3
151.11174	6.7
153.12743	2.7
157.10217	1.4
157.12239	25.2
159.11702	9.8
160.11261	3.3
161.13260	4.3
163.11191	4.6
165.09097	1.5
165.12759	10.0
166.12129	1.2
167.10635	1.2
169.10139	1.6
171.11665	0.9
173.13295	3.1
175.14859	3.1
177.05466	2.4
177.12737	4.2
178.12300	1.5
179.14261	1.2
184.13341	9.1
185.13313	1.1
187.13306	1.1
187.14859	3.2
189.16460	1.0
191.14290	1.7
193.01720	0.8
201.16475	1.5
203.12781	12.3
203.14397	0.9
203.17938	1.1
205.15927	1.6
209.15480	0.9
211.14830	1.2
219.17531	1.4
223.68459	0.9
229.15904	1.5
229.19409	1.2
233.15382	1.4
240.15990	2.5
250.14421	1.4
251.16513	1.2
257.22684	1.6
258.08969	2.6
259.09671	1.8
263.23724	1.6
265.18066	1.9
266.14105	1.0
267.21106	1.6
268.15417	14.1
273.22137	2.6
275.23724	7.3
277.21643	1.4
284.14957	1.1
285.22171	7.6
286.16495	12.2
291.23187	6.1
293.24542	1.1
300.18198	1.1
303.23215	18.4
309.24298	1.2
314.16016	12.0
316.17572	2.7
321.24121	6.4
328.17310	1.2
392.27835	1.8
404.27979	2.4
406.25781	1.9
420.27359	8.7
424.27090	1.4
432.27432	13.7
438.28531	11.8
450.28528	27.5
456.29617	3.0
468.29843	4.8
486.30548	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	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
51.36765	0.3
55.05499	0.6
55.17728	0.3
57.03434	0.4
57.99986	0.3
67.05489	0.3
68.04605	0.3
69.03446	0.4
70.06576	0.9
70.10854	1.0
72.08166	2.2
79.05493	0.4
81.03409	0.7
81.07028	0.4
85.02894	1.1
86.09689	1.3
91.05487	0.6
93.07045	1.0
95.05006	0.3
97.02898	0.7
97.06529	0.3
98.20827	0.4
99.04415	0.4
104.10712	0.5
105.01868	0.3
105.07058	2.0
107.08604	0.4
109.02866	0.4
109.10161	0.4
119.08549	0.4
119.56681	0.3
121.06506	0.4
121.10146	0.7
124.38476	0.3
127.03915	1.3
139.11176	0.4
145.04984	0.6
145.10129	0.5
147.04430	0.9
147.11667	1.2
149.05815	0.4
149.09619	0.3
151.03934	1.4
157.10098	0.5
163.03961	0.4
175.11226	0.5
184.07388	0.6
193.12236	0.5
203.05302	1.1
221.06104	0.3
221.11717	3.2
221.15242	0.3
239.12866	1.4
239.16368	0.3
259.07996	1.3
261.14563	0.3
269.12411	0.5
295.06085	1.0
325.16132	1.8
433.31546	0.3
457.92160	0.4
487.21542	100.0
488.22058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
56.05034	0.7
57.05811	0.6
58.50719	0.2
59.55938	0.2
69.03442	0.5
69.07070	7.9
70.06558	0.4
70.83643	0.4
72.08168	0.8
73.24097	0.2
73.86954	0.2
74.02447	1.3
79.41067	0.3
81.03429	0.4
84.04510	4.4
84.08163	0.4
85.02914	0.9
86.09708	100.0
87.05592	3.1
87.10049	0.5
88.03991	1.0
97.02935	0.2
102.05544	5.7
105.01894	0.2
105.07044	0.6
116.03458	0.7
116.07085	0.3
127.03933	0.5
129.06607	1.9
129.10234	0.4
133.06096	18.0
141.05515	0.3
152.10684	0.3
159.11691	0.3
161.09641	0.3
170.11798	1.2
173.09599	0.3
176.11517	0.2
197.12869	2.5
201.12361	0.2
205.12317	0.4
209.08167	0.3
210.50716	0.3
215.13916	16.5
222.12080	0.6
225.12390	0.4
228.13518	0.4
229.11816	2.9
239.12788	0.4
240.13017	0.4
243.13416	31.7
246.14500	27.2
299.03421	0.2
300.15540	0.3
311.19666	0.4
328.22144	0.4
338.20746	0.3
356.21805	4.9
357.17639	1.0
375.18686	1.0
471.24799	0.3
488.19955	0.3
488.27115	2.3
496.40714	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38275	1.8
53.03934	2.6
55.05510	21.1
56.05019	3.3
57.03442	2.1
57.07056	7.7
58.21442	1.9
67.05503	33.4
69.03424	4.7
69.07067	43.3
70.25803	10.1
71.04984	5.2
71.08620	3.6
72.30016	2.4
79.05501	16.6
81.03409	3.0
81.06602	5.0
81.07057	84.6
83.04987	3.0
83.08620	10.5
84.04507	100.0
85.02893	3.7
85.06542	4.9
91.05486	16.4
93.07052	41.5
95.04969	9.4
95.08609	96.2
97.06515	13.1
97.10168	18.1
102.05549	52.1
102.06200	1.5
105.07024	22.9
107.08597	50.1
109.06536	5.2
109.10159	47.4
111.08051	6.6
111.11689	7.4
117.07034	3.2
119.08582	27.9
121.10146	35.7
123.08102	2.9
123.11709	47.1
125.09653	5.4
130.04050	4.2
130.05005	59.8
131.08595	3.5
133.10127	17.4
134.52481	2.1
135.11696	23.6
137.09570	3.0
137.13266	15.6
139.11176	7.1
145.10150	8.2
147.11700	17.6
148.06053	82.5
149.02316	6.6
149.13275	36.8
151.11230	3.6
153.12712	5.7
157.12291	2.4
159.11682	6.3
161.13242	14.5
163.14824	8.6
165.09070	3.0
165.12776	3.3
171.13850	3.1
172.60272	2.6
173.13153	4.9
175.14774	4.8
177.16373	5.0
187.14882	2.7
189.16414	4.1
198.14804	3.2
256.98700	2.4
257.22638	3.6
259.24014	3.2
268.15375	4.4
269.22787	3.4
275.23636	5.1
277.21808	3.0
277.24945	5.0
286.16452	7.2
287.23679	10.3
293.24622	8.8
305.24719	42.1
314.15982	5.9
323.25711	4.3
328.17545	5.4
367.16464	2.7
406.29373	8.4
422.28986	18.8
434.29047	18.2
440.29999	36.4
452.30118	39.7
470.30832	5.7
483.79291	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.90265	0.7
55.01863	2.7
55.05509	1.3
57.03427	1.7
61.02904	1.0
62.07234	0.8
65.21509	0.7
65.69563	0.6
67.05497	1.3
69.03439	5.3
69.07040	2.0
69.91836	2.3
69.92247	1.7
72.08141	2.4
79.05486	1.5
81.03406	3.6
81.07043	2.9
83.04980	1.2
84.04504	1.5
85.02901	8.8
86.09708	14.2
87.00854	5.5
87.10017	2.8
91.05473	5.0
93.07025	3.2
95.04946	1.6
95.08582	0.7
97.02898	4.8
98.21400	1.4
99.04454	2.5
102.05556	1.4
105.01856	2.5
105.07032	19.5
107.04948	2.6
107.08593	2.6
109.02866	2.7
109.06519	1.4
114.69975	0.7
117.07008	3.3
117.31076	0.8
119.04955	7.6
119.08583	11.6
119.87061	0.7
121.06485	2.7
121.10126	1.2
127.03925	6.5
128.06221	7.4
129.07014	1.4
131.08562	6.6
133.06374	2.3
133.10156	7.2
135.08061	2.0
135.11644	1.0
137.09608	1.2
142.07753	1.4
143.08560	24.9
144.09343	1.1
145.04961	1.3
145.10126	1.7
146.07245	1.3
147.11690	18.3
149.09636	8.8
157.10110	4.7
159.02901	1.0
159.08015	1.9
159.11687	10.1
161.09619	100.0
162.10005	0.8
165.09070	1.0
167.10693	2.1
172.08948	0.8
175.11188	16.6
177.12703	2.7
179.10675	49.0
187.11150	7.2
192.25729	0.7
193.12244	13.2
197.11725	61.1
205.12239	8.7
211.13258	5.3
213.03975	0.8
214.56401	0.7
215.13960	1.1
216.14182	1.0
223.13292	12.3
229.11940	1.2
241.14343	33.4
243.13319	2.0
244.13750	1.8
246.14586	1.1
247.14934	1.5
261.14465	1.2
357.21591	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01857	3.5
55.05506	4.5
57.03424	2.8
57.07069	2.1
59.05001	2.2
67.05493	5.9
68.99792	1.9
69.03433	15.6
69.07070	4.3
70.06591	5.7
70.17150	5.5
71.04977	4.5
72.08160	3.3
73.02892	1.9
79.05491	6.1
81.03412	14.2
81.07047	7.3
81.71567	1.6
83.04971	5.6
84.04505	2.6
85.02911	22.5
86.09722	11.5
87.00823	9.2
87.04462	1.8
89.03810	1.5
91.05486	12.1
93.07041	18.6
95.04972	22.2
95.08083	1.6
95.08595	9.2
97.02901	8.2
97.06538	7.0
97.10155	1.7
98.06860	2.0
99.04465	13.8
103.03965	2.1
105.01867	7.9
105.07032	28.1
107.08598	18.4
109.02888	9.8
109.06522	7.4
109.10159	6.1
111.08080	1.8
117.07038	5.9
119.08578	23.5
121.06517	4.6
121.10151	6.5
123.08072	13.8
124.08429	2.7
125.06011	2.1
125.09678	8.2
126.09997	3.1
127.03933	19.1
127.26476	1.3
129.06987	2.0
131.08557	8.7
133.10126	10.1
135.08049	5.4
135.11678	8.0
137.05994	7.7
137.09610	3.1
139.07454	1.4
141.09109	5.3
142.09474	3.0
144.09378	2.7
145.04962	4.7
145.10098	6.2
147.02908	1.7
147.08044	4.8
147.11691	18.0
149.05963	4.9
149.09605	4.1
149.13283	2.1
151.07529	3.3
151.11223	1.6
157.10155	1.7
159.02895	3.7
159.11693	20.6
161.09636	5.9
161.13275	4.3
163.03902	2.3
163.07556	3.9
163.11186	5.4
165.09125	100.0
166.09508	3.4
167.07019	1.7
173.11688	1.6
175.11176	4.1
177.12755	10.3
179.10645	4.6
187.11217	5.9
193.12247	25.5
195.13828	5.4
205.12267	25.7
206.12608	5.0
207.10225	1.5
211.13310	6.2
223.13295	35.0
224.13562	3.6
229.12036	1.9
229.14311	4.1
241.14354	51.1
245.32626	1.8
453.18649	1.5
489.19229	3.6
489.30038	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	489.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.01857	3.5
55.05506	4.5
57.03424	2.8
57.07069	2.1
59.05001	2.2
67.05493	5.9
68.99792	1.9
69.03433	15.6
69.07070	4.3
70.06591	5.7
70.17150	5.5
71.04977	4.5
72.08160	3.3
73.02892	1.9
79.05491	6.1
81.03412	14.2
81.07047	7.3
81.71567	1.6
83.04971	5.6
84.04505	2.6
85.02911	22.5
86.09722	11.5
87.00823	9.2
87.04462	1.8
89.03810	1.5
91.05486	12.1
93.07041	18.6
95.04972	22.2
95.08083	1.6
95.08595	9.2
97.02901	8.2
97.06538	7.0
97.10155	1.7
98.06860	2.0
99.04465	13.8
103.03965	2.1
105.01867	7.9
105.07032	28.1
107.08598	18.4
109.02888	9.8
109.06522	7.4
109.10159	6.1
111.08080	1.8
117.07038	5.9
119.08578	23.5
121.06517	4.6
121.10151	6.5
123.08072	13.8
124.08429	2.7
125.06011	2.1
125.09678	8.2
126.09997	3.1
127.03933	19.1
127.26476	1.3
129.06987	2.0
131.08557	8.7
133.10126	10.1
135.08049	5.4
135.11678	8.0
137.05994	7.7
137.09610	3.1
139.07454	1.4
141.09109	5.3
142.09474	3.0
144.09378	2.7
145.04962	4.7
145.10098	6.2
147.02908	1.7
147.08044	4.8
147.11691	18.0
149.05963	4.9
149.09605	4.1
149.13283	2.1
151.07529	3.3
151.11223	1.6
157.10155	1.7
159.02895	3.7
159.11693	20.6
161.09636	5.9
161.13275	4.3
163.03902	2.3
163.07556	3.9
163.11186	5.4
165.09125	100.0
166.09508	3.4
167.07019	1.7
173.11688	1.6
175.11176	4.1
177.12755	10.3
179.10645	4.6
187.11217	5.9
193.12247	25.5
195.13828	5.4
205.12267	25.7
206.12608	5.0
207.10225	1.5
211.13310	6.2
223.13295	35.0
224.13562	3.6
229.12036	1.9
229.14311	4.1
241.14354	51.1
245.32626	1.8
453.18649	1.5
489.19229	3.6
489.30038	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	489.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.1
55.01868	8.6
55.05508	4.4
55.07590	2.4
57.03432	6.6
61.02950	3.9
67.05510	6.2
68.99794	3.5
69.03435	27.5
69.07053	7.2
70.06588	4.5
71.04993	7.2
72.08142	13.8
73.02915	5.0
79.05505	6.6
81.03423	28.4
81.07065	6.6
83.04985	7.1
84.04489	11.5
85.02905	58.9
86.07772	2.1
86.09708	78.2
87.00819	22.3
87.10034	2.9
91.05473	9.2
93.07053	14.9
95.04955	12.5
95.08588	18.9
97.02897	21.1
97.06539	26.8
99.04435	16.7
102.05544	10.9
103.03925	3.7
105.01862	17.3
105.07022	13.9
107.08593	15.5
108.73587	2.6
109.02877	22.7
109.06521	9.0
109.10163	9.2
111.04407	3.2
111.08116	4.7
117.07003	3.9
119.08590	35.6
121.06512	5.7
121.10114	10.0
121.97096	2.7
123.04444	4.9
123.08057	19.9
127.03934	45.3
129.01877	2.9
130.04994	2.3
131.08565	4.7
133.10103	14.5
135.08049	7.6
135.11699	3.4
137.09616	59.9
139.07561	15.2
145.04962	16.6
145.10120	11.0
147.08096	12.0
149.09669	3.2
151.11177	23.0
153.09106	9.3
159.02893	9.2
159.11707	14.0
161.09618	11.1
161.13237	12.3
163.11148	12.6
165.09111	17.2
175.11200	5.6
177.12743	10.5
179.10678	100.0
181.12221	6.8
184.07344	3.0
185.07655	3.3
187.11157	4.9
197.11667	22.5
205.12248	18.0
213.03812	2.6
215.13948	11.0
221.11731	2.9
223.13289	72.1
229.14384	2.7
231.05000	5.4
231.17058	3.9
241.14360	53.7
243.13342	17.8
247.12964	9.3
309.16980	3.7
359.08957	3.6
435.16498	8.7
446.26068	2.5
471.18365	3.1
489.19397	3.6
489.25784	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
53.03924	1.4
55.01868	1.8
55.05516	13.4
57.03440	2.7
57.07078	1.6
59.04996	1.2
65.03960	1.6
67.05508	48.0
69.07070	11.3
69.16876	5.1
69.17301	7.8
71.04991	2.1
79.05499	18.3
81.07062	26.9
83.04998	2.5
83.08624	6.0
85.06529	2.7
91.05478	21.6
91.06019	1.5
93.07040	27.0
95.04986	1.6
95.08615	20.4
97.06552	1.8
97.10159	4.2
105.07034	21.1
107.08597	15.3
109.06541	1.5
109.09459	2.3
109.10165	20.7
117.07024	8.0
119.08597	20.5
121.10141	12.8
123.08072	1.4
123.11711	2.8
125.09643	2.2
129.07024	3.1
131.08569	13.7
133.10132	16.2
135.11679	7.1
136.34091	1.4
139.11185	2.1
142.07826	1.4
143.08595	5.4
145.10123	14.3
147.11670	7.8
149.13254	2.9
157.10187	4.9
159.11711	9.7
161.13286	7.3
169.10123	2.8
171.11746	4.2
173.11740	5.5
173.13312	7.1
175.14862	3.2
183.11751	3.2
185.13261	3.9
187.14804	4.5
199.14877	3.5
201.16457	1.5
213.14769	2.7
213.16579	1.6
220.90822	1.4
225.16328	1.7
259.20682	2.1
261.22189	2.6
273.22083	1.9
273.49277	1.4
297.22070	1.8
299.23749	2.5
303.23471	1.2
311.23718	1.3
362.26926	1.4
379.30054	8.2
397.31085	10.7
415.32242	3.8
471.34729	14.6
489.35828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Cimigenol
Peak:m/z	Relative Intensity
51.02378	0.8
53.03938	2.7
55.01863	1.4
55.05269	1.1
55.05515	15.3
57.03425	3.1
57.07066	2.6
59.04990	1.8
65.03943	2.6
67.05508	73.4
67.30066	0.6
69.03442	0.8
69.07074	9.7
69.34014	0.6
71.04982	2.2
71.17848	1.9
79.05022	1.0
79.05498	23.4
81.07061	31.4
83.04970	1.3
83.08619	7.9
85.06535	2.2
91.05487	18.1
93.07052	29.3
95.04977	2.0
95.08614	22.2
97.06558	1.8
97.10159	2.7
105.04507	1.3
105.07044	17.1
106.38506	0.7
107.08607	14.7
109.06549	1.2
109.10165	41.5
111.08086	2.3
112.92995	0.7
117.07023	6.2
119.06009	0.8
119.08588	20.8
121.10152	12.4
121.10939	0.5
123.11717	1.9
125.09618	1.3
129.07047	2.2
131.08572	10.5
133.10136	11.8
135.01685	0.7
135.11703	7.7
137.09653	2.1
139.11205	2.0
141.07025	0.8
142.34753	0.6
143.08620	3.8
145.10129	11.5
147.11719	8.1
149.13278	4.0
155.08530	2.2
155.10699	2.3
157.10088	3.4
159.11691	6.8
161.13239	6.0
163.14796	1.2
163.54524	0.7
169.10135	2.4
171.11729	3.8
173.11755	11.5
173.13290	5.8
175.14807	2.1
183.11728	2.3
185.13193	3.6
187.14833	2.8
189.16345	0.9
195.11765	0.8
197.13252	1.9
199.14839	2.2
201.16472	1.0
209.13306	1.2
211.14882	1.0
213.14766	1.1
227.17966	0.7
241.19424	1.1
243.21184	1.1
250.32866	0.7
257.19073	0.8
259.20715	1.9
261.22055	3.2
267.21106	0.7
271.20633	0.9
285.22180	1.6
287.23898	1.3
289.21729	0.9
299.23529	1.6
317.24808	1.9
377.26794	1.2
379.29996	6.4
397.31058	8.8
415.32230	2.2
433.33154	0.8
452.90469	0.8
453.34097	0.7
471.34698	8.9
489.35794	100.0
490.36047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03946	1.7
55.05524	10.2
57.03430	3.7
57.07058	1.4
59.04623	1.4
59.04981	1.6
65.03968	1.7
67.05513	48.5
69.07069	9.8
71.05006	2.0
71.53379	1.2
71.53837	2.0
79.05494	20.9
81.07068	24.6
83.08616	6.0
86.59583	1.3
91.05479	17.0
93.07056	23.1
95.04991	1.8
95.08619	16.4
97.06561	2.0
97.10201	3.4
99.08154	1.6
103.67207	1.4
105.07047	13.7
107.08611	12.2
109.06544	1.7
109.09467	2.3
109.10170	26.4
117.07026	5.1
119.08594	18.9
121.10163	11.8
123.11752	2.4
129.07037	2.1
131.08557	10.5
133.10144	10.9
135.11699	6.4
137.09641	2.0
138.26729	1.3
139.11203	2.1
141.06885	1.3
143.08580	4.9
145.10147	11.4
147.11723	9.4
149.13281	2.2
152.90132	1.3
157.10129	5.4
159.11697	6.9
161.13292	2.2
169.10091	1.6
171.11703	3.8
173.11784	5.2
173.13290	4.6
183.11728	2.9
185.13290	4.5
187.11256	1.3
187.14864	2.5
195.11629	1.5
199.14836	1.5
211.14786	2.6
239.17828	1.9
243.21179	1.4
245.19119	1.9
259.20636	1.7
261.22235	3.6
285.22266	2.3
317.24774	1.4
337.47781	1.3
379.30057	6.7
391.28271	1.8
397.31076	9.3
398.09183	1.8
398.42270	1.4
415.32291	2.2
423.65585	1.4
464.75830	1.4
471.34879	11.6
475.35599	1.3
489.35797	100.0
496.90805	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.0
55.05492	4.6
56.27570	1.6
67.05508	8.7
69.03431	2.5
69.07072	15.2
70.06586	1.8
79.05490	8.1
79.70509	1.7
81.03404	1.8
81.07059	11.3
82.06571	3.0
83.08611	3.1
85.02908	2.1
86.09706	3.6
91.05483	7.5
93.07046	15.0
94.06561	3.4
95.04961	3.8
95.08611	11.8
97.06522	4.4
97.69305	2.1
105.06371	2.5
105.07037	16.8
107.04940	3.5
107.08606	12.7
108.08128	2.7
109.02889	2.8
109.06541	5.7
109.10147	5.3
119.08584	31.5
121.10152	12.2
123.08080	2.1
124.07637	1.9
125.05996	5.9
127.03908	5.0
131.08597	3.5
133.06538	2.7
133.10132	14.7
135.08076	2.1
135.11659	3.0
136.07558	2.3
137.05965	4.2
137.09608	3.6
139.03932	2.2
139.07565	2.6
142.08620	4.3
147.11684	3.0
151.07544	7.5
154.08614	9.2
161.09538	2.3
161.13268	94.9
162.05461	1.8
163.03957	4.0
163.11234	2.4
163.14803	5.8
165.09120	13.6
166.09406	6.5
179.14334	17.1
189.12750	23.0
206.08147	4.8
207.13823	100.0
231.05058	2.6
282.07748	2.0
436.26849	3.7
454.27753	5.5
490.11151	2.1
490.26788	3.0
490.32782	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	490.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61096	0.3
53.03938	1.9
54.27699	0.4
55.01867	1.9
55.05494	0.7
57.03428	1.7
61.02919	1.9
67.05496	1.2
68.06165	0.4
68.99775	1.1
69.03431	13.3
69.67540	2.4
71.04986	1.6
73.02920	1.7
79.05510	0.9
81.03423	7.6
81.07060	0.8
83.04979	2.4
83.08642	0.7
85.02907	26.4
87.00317	0.6
87.00830	11.0
91.03980	0.9
91.05475	0.5
93.07048	1.4
95.04948	1.2
95.08628	3.0
97.02291	0.9
97.02891	10.6
97.06539	1.2
98.20747	0.6
99.04457	4.7
99.08076	2.1
101.02409	0.6
103.03995	0.8
105.01866	13.1
105.02574	0.7
105.07019	1.7
107.08604	1.6
109.02885	8.9
109.06520	6.1
109.10202	0.7
111.04457	1.9
115.03949	0.8
117.01878	1.0
119.08561	1.7
120.21227	0.4
121.06509	1.5
121.10153	3.9
122.92561	0.4
123.08069	100.0
124.04887	0.5
124.08456	0.7
125.09620	1.0
127.03921	17.6
129.01833	0.8
133.10146	0.5
135.11665	0.6
137.09604	0.6
145.04962	7.1
145.10156	0.9
147.02887	0.7
147.11694	1.5
149.05937	0.5
149.09602	6.2
151.11192	2.0
159.02921	4.4
161.09622	0.4
161.13219	1.5
163.11212	1.6
165.09178	1.0
165.12712	1.0
167.10626	2.0
175.09689	0.5
176.08315	0.6
181.12238	13.9
189.03836	0.8
189.12761	4.2
205.12271	0.6
207.10213	0.6
207.13811	12.4
213.03932	1.1
219.12932	0.5
225.14856	40.4
231.05016	5.7
249.06099	1.1
287.05594	1.1
321.99725	0.5
385.45877	0.4
455.19342	2.0
473.19937	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01872	2.3
55.05519	0.5
56.15345	0.3
57.03438	2.0
59.04982	0.5
61.02923	1.6
67.05498	1.5
68.99789	0.9
69.03431	10.7
69.07095	0.4
70.85111	1.0
71.04987	1.8
73.02918	2.4
79.05504	0.9
81.03425	8.5
81.07070	1.3
83.04977	3.3
85.02907	24.5
85.06564	0.4
87.00829	11.9
87.04465	0.6
87.82087	0.4
91.03941	0.4
91.05476	0.7
93.07053	1.8
95.04948	1.7
95.08611	2.9
97.02302	0.6
97.02899	10.5
97.03525	0.6
97.06530	1.6
99.04456	5.1
99.08100	1.3
105.01871	12.7
105.07025	1.4
107.04926	0.5
107.08608	1.6
109.02892	10.2
109.06528	3.5
109.10165	0.5
111.04442	1.6
111.08118	0.8
115.03952	0.4
117.01860	1.1
117.07067	0.4
118.59655	0.4
118.76467	0.3
119.08600	1.6
121.06479	1.9
121.10155	5.5
123.08069	100.0
125.06012	0.4
125.09672	0.5
127.03920	17.8
127.07555	0.3
129.01828	1.2
133.10156	1.2
135.08063	0.5
135.11681	1.1
137.09631	1.0
145.04959	8.9
145.10124	1.5
147.02904	0.6
147.08073	0.6
147.11673	1.8
149.09633	6.2
151.07465	0.6
151.11194	8.0
156.09343	0.4
159.02898	4.7
159.11748	0.4
161.13271	1.0
163.11157	2.4
165.09125	0.6
165.12701	0.9
167.10658	2.9
171.02925	0.4
175.04070	0.4
177.03989	0.4
181.12241	8.2
181.13731	0.7
189.03998	0.6
189.12724	2.6
202.42610	0.3
205.12315	1.2
207.13799	14.6
213.03963	1.5
225.14862	50.4
231.05009	4.7
249.06111	1.0
256.20599	0.3
437.18137	1.2
455.19104	1.1
473.20093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1186
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
52.09991	0.2
53.03947	2.6
55.01878	0.8
55.05505	0.2
57.03424	0.7
61.02931	0.9
67.05488	0.2
68.99798	0.5
69.03432	8.7
69.95486	0.4
69.95885	0.3
71.01355	0.2
71.04981	0.7
73.02908	1.0
81.03421	11.5
81.07056	0.4
83.04968	0.2
85.02908	4.8
91.05468	0.2
95.08624	0.2
97.02896	4.6
98.21501	0.2
99.04458	2.1
103.03952	0.2
105.03429	0.3
105.06992	0.2
107.04951	0.3
109.02885	7.9
109.10157	0.3
111.00790	0.6
120.08125	0.3
121.02872	2.3
121.03797	0.2
121.10146	0.2
127.03922	6.9
133.02864	0.4
133.04965	0.2
135.04466	0.2
136.46031	0.2
137.02335	0.7
145.04988	1.3
147.04382	0.3
153.01825	3.5
157.06473	0.4
165.01831	1.4
167.55910	0.1
171.04373	0.3
183.02896	0.9
185.05949	0.4
187.06018	6.9
205.07175	0.3
207.82208	0.2
213.05482	1.2
231.06567	0.8
241.04993	0.9
243.06433	0.2
258.05338	0.8
259.05838	0.3
287.05499	100.0
288.05859	1.2
307.78329	0.2
329.06186	0.3
469.65045	0.2
491.26230	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58032	2.4
55.05505	3.1
67.05497	2.8
69.03436	16.8
70.06598	6.1
70.82314	6.3
79.05507	4.1
81.03413	4.4
81.07054	10.0
83.04979	4.8
84.04530	3.6
84.08149	7.0
85.02897	15.4
86.09709	6.7
87.00832	6.3
91.05480	14.3
93.07040	10.2
95.04991	4.9
95.08591	2.6
97.02879	8.8
97.06490	2.6
99.04464	5.3
99.50816	2.7
105.01872	12.0
105.07041	65.6
107.08605	10.8
109.02898	4.8
109.06516	2.5
117.07018	15.1
119.08585	33.1
121.06477	3.8
121.10149	4.8
127.03912	11.9
128.06230	10.2
129.07018	10.9
130.07764	6.8
131.08572	47.6
133.10143	13.7
135.08087	5.7
137.09612	3.6
137.55815	2.4
141.20724	2.3
142.07779	7.6
143.08566	58.3
144.09341	11.8
145.04980	5.8
145.10133	17.9
147.08116	3.7
147.11697	71.3
149.07411	9.3
149.09618	8.0
149.13316	3.6
154.25615	2.7
156.09369	11.7
157.10146	4.7
159.02882	3.5
159.11705	100.0
161.09615	2.6
161.13263	32.2
163.03883	6.2
163.11253	3.8
165.12772	3.6
171.11690	41.2
173.13316	12.3
177.12770	46.9
179.14302	4.1
181.04973	4.9
189.12743	27.3
191.14301	15.5
195.13902	13.2
207.13805	51.0
225.14879	16.2
243.08728	5.8
243.15855	2.9
270.95016	2.7
281.41031	2.2
297.24783	2.6
301.04333	2.5
308.38931	2.5
491.14835	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	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01877	2.9
55.05505	6.1
57.03428	4.5
57.45403	1.4
61.02922	1.9
61.14601	1.3
61.69868	1.3
64.10463	1.3
67.05517	6.7
69.03429	17.9
69.07063	6.1
69.66047	1.3
70.06577	6.7
70.84312	1.5
70.84601	1.6
71.04993	5.6
71.05369	1.3
72.77592	1.2
73.02885	2.4
79.05494	7.7
81.03419	19.6
81.07070	12.5
83.04961	4.5
83.08591	1.6
85.02911	33.0
85.06544	7.5
86.09706	4.0
87.00820	15.9
91.05486	8.6
93.07047	13.2
95.04970	2.7
95.08602	14.0
97.02289	2.6
97.02897	27.6
97.06519	2.9
99.04452	8.6
99.08105	3.4
103.03929	2.1
105.01198	1.3
105.01859	8.1
105.07040	16.6
107.04958	4.1
107.08612	17.9
109.02882	12.2
109.06506	6.3
109.10178	6.0
111.04418	1.9
111.08077	2.6
114.61365	1.4
119.08577	23.2
120.08056	2.3
121.06520	4.7
121.10152	15.5
123.08077	18.7
123.11699	4.4
125.09622	3.8
127.03915	21.3
129.01846	1.8
129.07008	1.8
131.08563	5.7
133.06517	2.1
133.10139	9.5
135.08063	100.0
135.11725	4.1
137.09625	30.0
139.11128	1.9
145.05020	8.1
145.10124	4.5
147.08063	6.0
147.11707	9.4
149.09627	97.0
149.13232	4.7
151.03917	2.6
151.07587	11.2
151.11197	1.8
153.09113	2.3
156.09373	1.6
159.02899	5.7
159.08060	1.8
159.11734	7.3
161.09633	2.4
161.13263	16.0
163.11086	1.9
165.09123	16.6
165.12738	3.7
167.10698	3.8
169.12228	1.5
171.11716	4.4
173.13255	1.6
174.10399	2.4
177.12755	63.8
179.14317	5.6
189.12735	41.5
191.14238	2.4
195.13802	22.5
207.13802	69.7
215.13873	2.9
225.14876	24.6
231.05084	1.9
243.15950	4.6
467.42093	1.5
491.15158	2.7
491.21384	1.7
491.32037	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	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56813	4.4
53.03948	13.0
55.01868	5.5
55.05510	25.6
57.03426	11.4
67.05477	15.0
69.03429	39.5
69.07056	19.4
70.06580	12.1
71.04997	11.8
71.40967	5.2
72.08118	6.8
75.29686	4.6
79.05489	15.1
81.03426	28.4
81.07056	31.6
83.04978	47.6
83.08633	7.5
84.04504	9.0
85.02908	58.4
85.06510	5.5
86.03258	5.0
86.09689	18.1
87.00835	25.9
91.05473	23.4
93.07050	44.7
95.04981	30.7
95.08622	32.9
97.02896	20.0
97.06525	14.6
99.04472	31.5
105.01827	24.8
105.07048	61.4
107.08591	45.0
109.02892	14.9
109.06532	11.5
109.10164	18.3
111.08079	7.9
119.08577	47.3
121.06495	17.3
121.10139	42.4
123.08064	42.5
125.09605	8.6
127.03944	41.5
129.05540	9.5
130.05051	7.2
131.08557	23.2
133.10161	15.1
135.08052	16.4
135.11682	11.4
137.09622	39.7
141.07246	5.5
145.04929	21.1
145.10107	18.9
147.04382	8.7
147.11693	23.5
148.06085	8.1
149.09637	65.2
149.13249	5.7
151.07602	6.9
151.11194	6.1
153.12733	12.4
155.10695	12.0
159.02896	6.9
159.11699	29.1
161.13301	31.9
163.11205	36.3
165.12782	7.1
167.10675	68.1
171.11647	12.9
177.12762	23.9
179.14282	8.8
181.12222	10.1
189.12724	35.6
193.12126	4.9
195.13832	38.9
207.13812	100.0
225.14854	89.6
238.11154	5.1
243.15924	79.1
254.21114	6.5
448.09012	5.3
467.94611	7.0
491.15842	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	491.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
55.01877	2.9
55.05505	6.1
57.03428	4.5
57.45403	1.4
61.02922	1.9
61.14601	1.3
61.69868	1.3
64.10463	1.3
67.05517	6.7
69.03429	17.9
69.07063	6.1
69.66047	1.3
70.06577	6.7
70.84312	1.5
70.84601	1.6
71.04993	5.6
71.05369	1.3
72.77592	1.2
73.02885	2.4
79.05494	7.7
81.03419	19.6
81.07070	12.5
83.04961	4.5
83.08591	1.6
85.02911	33.0
85.06544	7.5
86.09706	4.0
87.00820	15.9
91.05486	8.6
93.07047	13.2
95.04970	2.7
95.08602	14.0
97.02289	2.6
97.02897	27.6
97.06519	2.9
99.04452	8.6
99.08105	3.4
103.03929	2.1
105.01198	1.3
105.01859	8.1
105.07040	16.6
107.04958	4.1
107.08612	17.9
109.02882	12.2
109.06506	6.3
109.10178	6.0
111.04418	1.9
111.08077	2.6
114.61365	1.4
119.08577	23.2
120.08056	2.3
121.06520	4.7
121.10152	15.5
123.08077	18.7
123.11699	4.4
125.09622	3.8
127.03915	21.3
129.01846	1.8
129.07008	1.8
131.08563	5.7
133.06517	2.1
133.10139	9.5
135.08063	100.0
135.11725	4.1
137.09625	30.0
139.11128	1.9
145.05020	8.1
145.10124	4.5
147.08063	6.0
147.11707	9.4
149.09627	97.0
149.13232	4.7
151.03917	2.6
151.07587	11.2
151.11197	1.8
153.09113	2.3
156.09373	1.6
159.02899	5.7
159.08060	1.8
159.11734	7.3
161.09633	2.4
161.13263	16.0
163.11086	1.9
165.09123	16.6
165.12738	3.7
167.10698	3.8
169.12228	1.5
171.11716	4.4
173.13255	1.6
174.10399	2.4
177.12755	63.8
179.14317	5.6
189.12735	41.5
191.14238	2.4
195.13802	22.5
207.13802	69.7
215.13873	2.9
225.14876	24.6
231.05084	1.9
243.15950	4.6
467.42093	1.5
491.15158	2.7
491.21384	1.7
491.32037	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	491.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.7
53.17387	1.2
55.01871	12.2
55.05514	58.3
57.03434	5.4
57.07056	1.7
59.05000	2.0
65.03947	2.2
67.05507	40.1
69.03429	8.2
69.07073	15.6
69.72578	4.9
69.72995	3.2
70.66378	1.5
71.04995	4.6
71.53688	1.3
77.03926	2.0
79.05497	41.6
79.05968	2.1
81.03422	17.3
81.07056	39.7
83.04994	11.3
83.08620	38.1
85.02900	1.7
85.06536	2.2
86.09752	1.9
87.04478	4.1
89.03925	2.8
91.05487	24.9
93.07046	26.4
95.04975	15.7
95.08609	19.6
97.02892	3.9
97.06548	4.7
97.10175	71.7
97.54323	1.2
99.04456	1.9
105.03451	1.6
105.04578	1.5
105.07034	17.1
107.04964	31.8
107.08599	31.8
109.02882	4.4
109.06525	10.5
109.10166	12.9
111.04462	2.4
111.08077	4.9
117.03396	4.5
117.07030	10.4
119.04942	1.8
119.08602	12.5
121.02855	3.8
121.06514	18.1
121.10139	11.9
122.07277	2.5
123.04446	4.1
123.08080	4.4
123.11702	5.3
123.27901	1.5
125.09636	53.2
128.06239	1.7
129.06999	5.7
131.04935	2.3
131.08569	12.4
133.06493	4.5
133.10138	10.5
135.04417	10.3
135.08081	13.5
135.11693	9.5
137.05977	1.7
137.09624	13.8
139.11133	1.6
141.06985	2.7
143.08583	5.9
143.10622	2.6
145.02847	5.9
145.06491	5.3
145.10143	9.8
147.04420	2.6
147.08098	3.0
147.11716	2.1
149.02361	6.4
149.05963	1.7
149.09612	3.1
151.03908	1.7
153.09099	6.1
155.08441	2.0
157.10133	4.2
159.08084	3.4
159.11676	1.9
161.05882	1.8
161.09633	5.7
163.03925	28.5
163.07590	2.2
163.11177	12.7
165.09125	100.0
171.08000	2.5
171.10187	3.3
171.11598	2.2
173.09637	3.0
173.13266	5.5
175.11157	2.9
179.03398	7.4
189.09340	3.1
189.11221	39.5
191.03378	2.1
191.10706	2.4
191.14363	8.9
193.04999	5.8
193.12250	4.8
197.09703	1.7
201.12790	3.1
205.12247	2.4
207.10046	1.9
209.11687	2.8
219.13805	59.5
225.11107	3.0
227.12758	33.1
229.12341	1.7
237.07657	6.2
237.14954	1.8
247.13380	1.5
249.14888	2.3
263.12698	10.1
265.14392	3.4
267.15875	1.6
273.14899	3.5
275.16516	2.6
281.13748	3.8
283.06064	1.4
283.16782	1.5
321.24249	1.7
335.20160	1.3
353.21030	4.1
367.22894	4.3
369.26202	4.0
371.22269	7.3
381.20688	6.4
385.23718	5.3
387.27176	8.5
389.23270	11.6
395.92194	1.5
399.21472	7.7
405.28320	4.1
407.24203	5.4
417.22717	3.1
445.25806	22.8
447.27457	2.3
459.27454	14.5
463.26901	16.2
473.14728	1.9
473.25217	18.9
473.30792	1.6
491.09799	5.0
491.26273	92.1
491.31943	38.3
492.26743	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	491.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53012	0.8
53.03943	2.0
55.01884	1.1
55.05516	14.1
57.03444	10.6
57.07073	3.9
61.16385	1.1
65.03941	1.0
67.05510	44.5
69.07075	15.7
70.92695	2.4
71.04971	1.3
71.08618	2.0
74.65784	0.8
79.05499	12.7
81.03422	1.5
81.07064	45.3
82.76653	1.0
83.04978	2.1
83.08630	10.8
86.76711	0.8
91.05482	9.2
93.07056	18.0
95.08617	39.7
97.06534	3.1
97.10180	5.5
98.98475	62.2
99.08087	1.3
105.07036	6.9
107.08611	8.0
109.10160	14.0
111.08076	2.4
119.08602	7.7
121.10155	7.0
123.11736	6.1
131.08585	1.4
133.10138	5.5
135.11702	5.2
137.00000	3.8
137.13263	2.6
147.11676	4.1
149.13298	4.3
151.11209	1.2
151.14772	1.6
153.12526	1.0
155.01057	58.7
161.13275	3.6
163.14822	2.9
171.03853	1.0
175.14789	2.8
189.16403	1.4
193.02802	1.1
194.39047	0.9
211.03661	4.6
229.04753	5.4
238.61446	1.1
245.22670	7.9
263.23734	13.0
319.26236	2.9
337.27399	100.0
338.27997	1.6
471.34302	0.9
473.26654	18.6
491.21048	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	491.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.3
55.01855	1.1
55.05272	1.1
55.05513	14.0
57.03203	1.0
57.03441	12.7
57.07084	4.9
57.07301	0.9
65.03929	1.6
67.05506	50.2
69.07071	18.7
69.88718	4.4
71.08616	2.2
79.05076	1.1
79.05497	16.1
81.03425	1.9
81.07058	58.9
83.04962	1.5
83.08624	8.9
85.06513	1.3
91.05482	9.4
93.07051	18.4
95.04971	2.1
95.08608	44.8
95.23706	0.9
97.06524	2.7
97.10168	6.2
98.98472	66.0
99.08092	1.6
105.07044	7.5
107.08598	9.4
109.06507	1.2
109.09482	1.2
109.10164	17.1
111.08034	2.1
111.11666	1.0
116.99493	1.3
117.06992	1.2
119.08595	7.0
121.10137	9.7
123.08051	1.2
123.11696	6.4
125.00054	1.1
125.09563	1.1
133.10158	5.2
135.11717	5.3
137.00002	4.4
137.09653	1.5
137.13235	3.4
140.95386	1.0
145.10056	1.2
147.11717	5.4
149.13243	3.2
149.14389	0.9
151.14795	2.8
155.01047	67.2
161.13251	5.4
163.14798	2.4
165.16472	0.9
175.14806	2.0
177.16461	1.7
211.03680	5.4
211.05411	0.9
229.04689	6.0
245.22620	8.2
263.23734	12.2
319.26315	1.2
337.27380	100.0
338.27701	2.1
350.92557	1.0
362.65277	0.9
394.57050	1.0
409.13986	1.0
473.26642	20.8
491.35382	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21842	0.7
51.38134	0.7
53.03942	2.0
53.35684	0.8
55.01861	2.4
55.05296	0.9
55.05516	7.9
59.04995	0.8
65.03944	0.8
67.05511	10.7
69.03430	1.5
69.07071	5.0
71.01364	0.8
71.04978	1.2
71.51970	1.2
79.05502	9.0
81.03440	4.2
81.07062	11.1
83.04983	3.0
83.08619	4.4
85.02895	1.4
90.70131	0.7
91.05486	7.3
93.07057	7.9
95.04968	4.5
95.08625	6.4
97.06522	2.0
97.10178	6.6
99.08043	0.8
105.07017	4.2
107.04957	7.4
107.08604	5.9
109.02880	1.6
109.06519	2.8
109.10155	6.5
111.08097	1.3
117.07000	2.2
119.08577	5.8
120.08088	2.0
121.02881	2.3
121.03740	0.7
121.06509	3.1
121.10139	3.6
122.07260	1.0
123.04440	1.1
123.08060	1.4
123.11708	2.0
125.09623	5.5
129.07002	1.4
131.08549	2.9
133.06433	0.8
133.10118	3.2
135.04385	1.4
135.08076	1.2
135.11674	3.4
137.09636	12.4
139.11203	1.5
143.08612	1.8
145.02936	0.9
145.06485	1.3
145.10141	2.7
147.04401	1.1
147.11758	1.6
149.02365	12.9
149.03497	1.5
149.09633	2.9
157.12341	1.1
159.11717	1.8
161.09644	2.3
163.03943	2.1
163.11163	3.5
163.40312	0.8
165.09125	100.0
173.09625	1.5
173.13179	0.8
173.20172	0.7
175.11165	1.1
177.09131	1.4
181.12135	0.9
183.11667	0.9
189.09288	1.0
189.11232	3.4
191.10602	1.4
191.14246	1.5
193.05017	9.2
193.12222	1.6
201.06795	0.8
203.10664	1.9
205.10556	1.1
205.12257	6.3
209.11713	1.6
219.13673	4.7
225.11148	1.0
227.12746	8.4
233.19069	1.0
237.07576	7.6
243.42484	0.8
247.13287	2.4
251.19839	0.7
281.10193	3.2
303.23279	1.2
324.00891	1.0
329.14148	1.1
341.06470	1.5
381.20303	1.2
385.09454	4.3
385.23947	1.2
389.23297	0.9
399.21631	2.1
409.74393	0.9
424.44455	0.9
429.11902	3.6
437.30548	1.6
445.25800	1.3
455.31573	4.0
459.27362	3.2
473.14224	3.0
473.25192	2.4
473.31808	1.1
485.75937	0.9
491.26120	14.7
503.63214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21842	0.7
51.38134	0.7
53.03942	2.0
53.35684	0.8
55.01861	2.4
55.05296	0.9
55.05516	7.9
59.04995	0.8
65.03944	0.8
67.05511	10.7
69.03430	1.5
69.07071	5.0
71.01364	0.8
71.04978	1.2
71.51970	1.2
79.05502	9.0
81.03440	4.2
81.07062	11.1
83.04983	3.0
83.08619	4.4
85.02895	1.4
90.70131	0.7
91.05486	7.3
93.07057	7.9
95.04968	4.5
95.08625	6.4
97.06522	2.0
97.10178	6.6
99.08043	0.8
105.07017	4.2
107.04957	7.4
107.08604	5.9
109.02880	1.6
109.06519	2.8
109.10155	6.5
111.08097	1.3
117.07000	2.2
119.08577	5.8
120.08088	2.0
121.02881	2.3
121.03740	0.7
121.06509	3.1
121.10139	3.6
122.07260	1.0
123.04440	1.1
123.08060	1.4
123.11708	2.0
125.09623	5.5
129.07002	1.4
131.08549	2.9
133.06433	0.8
133.10118	3.2
135.04385	1.4
135.08076	1.2
135.11674	3.4
137.09636	12.4
139.11203	1.5
143.08612	1.8
145.02936	0.9
145.06485	1.3
145.10141	2.7
147.04401	1.1
147.11758	1.6
149.02365	12.9
149.03497	1.5
149.09633	2.9
157.12341	1.1
159.11717	1.8
161.09644	2.3
163.03943	2.1
163.11163	3.5
163.40312	0.8
165.09125	100.0
173.09625	1.5
173.13179	0.8
173.20172	0.7
175.11165	1.1
177.09131	1.4
181.12135	0.9
183.11667	0.9
189.09288	1.0
189.11232	3.4
191.10602	1.4
191.14246	1.5
193.05017	9.2
193.12222	1.6
201.06795	0.8
203.10664	1.9
205.10556	1.1
205.12257	6.3
209.11713	1.6
219.13673	4.7
225.11148	1.0
227.12746	8.4
233.19069	1.0
237.07576	7.6
243.42484	0.8
247.13287	2.4
251.19839	0.7
281.10193	3.2
303.23279	1.2
324.00891	1.0
329.14148	1.1
341.06470	1.5
381.20303	1.2
385.09454	4.3
385.23947	1.2
389.23297	0.9
399.21631	2.1
409.74393	0.9
424.44455	0.9
429.11902	3.6
437.30548	1.6
445.25800	1.3
455.31573	4.0
459.27362	3.2
473.14224	3.0
473.25192	2.4
473.31808	1.1
485.75937	0.9
491.26120	14.7
503.63214	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24825	1.5
53.03949	4.5
55.01862	5.5
55.05518	13.8
57.03439	3.4
57.07069	4.2
59.04996	1.9
61.02926	3.1
67.05507	8.9
68.99777	2.3
69.03437	16.3
69.07072	7.8
69.58670	5.1
69.59094	4.5
70.06583	1.6
70.29479	1.5
71.04976	3.1
73.02934	1.7
74.44316	1.7
79.05488	8.0
81.03430	11.8
81.07059	21.1
83.04987	18.7
83.08616	10.6
85.02913	29.0
85.06535	1.8
87.00838	10.4
87.04479	2.2
91.05490	13.6
93.07058	16.7
95.04986	21.4
95.08604	11.4
95.16930	1.3
97.02898	16.9
97.06522	9.7
97.10178	1.9
98.21442	2.7
99.04465	12.2
99.08099	1.7
103.03945	7.8
105.01871	11.8
105.07035	27.5
107.07882	2.6
107.08602	41.0
109.02882	9.4
109.06517	22.0
109.10158	26.5
111.08075	5.0
113.09666	1.7
115.07577	3.3
117.07021	2.8
119.08598	25.7
121.06470	2.2
121.10149	25.6
122.10538	1.4
123.08049	6.8
123.11702	7.8
125.09634	5.0
127.03936	23.0
129.01878	1.8
129.06999	1.6
131.08572	21.4
133.10143	79.3
135.08080	8.0
135.11705	5.7
139.11203	3.7
143.08553	3.1
144.09369	2.5
145.04979	9.7
145.10117	9.6
147.11708	19.8
149.09659	2.7
149.13268	14.3
151.11212	15.7
153.09091	11.9
158.10887	6.2
159.02921	4.3
159.11710	2.0
161.13260	9.9
163.06047	3.8
163.14769	7.3
165.12741	3.4
167.14288	18.9
173.13272	41.8
175.14835	55.5
176.03444	2.1
179.14290	2.5
191.12985	1.2
191.14308	53.9
193.15887	11.0
209.15378	100.0
217.57774	1.7
226.15295	2.2
227.16420	16.4
231.05040	4.1
399.28839	1.6
485.07654	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.4
55.05495	3.9
57.07068	1.5
66.69900	0.7
67.05502	5.2
69.03433	10.5
69.07075	10.1
70.06580	1.1
70.91052	2.1
71.04964	1.1
74.64050	0.9
79.05501	2.6
81.03403	3.4
81.07052	6.9
83.04998	1.1
83.08600	3.8
83.17338	0.9
85.02901	4.5
87.00832	1.3
91.05478	7.4
93.07049	4.6
95.04992	0.9
95.08614	11.0
97.02887	3.4
105.01859	1.7
105.07037	13.7
105.26395	0.9
107.08601	15.0
109.02857	2.4
109.10165	14.3
115.05508	0.9
115.35448	0.9
117.06991	2.2
119.08586	47.4
121.06466	1.7
121.10141	6.4
122.49152	0.9
123.08062	2.0
123.11692	2.1
125.09643	4.7
127.03908	3.3
131.08595	4.7
133.10138	48.7
135.08037	2.3
135.11685	6.8
137.09613	3.3
143.08560	1.2
145.04991	1.8
145.10115	5.2
147.11702	10.2
149.09624	1.8
149.13261	3.8
151.14764	1.8
153.09117	2.1
158.10887	1.8
160.12476	2.4
161.13188	0.9
161.80312	0.9
163.11159	1.0
163.14813	2.4
173.13287	9.9
175.14835	100.0
176.15097	1.0
191.14301	25.5
193.15929	6.4
209.15378	16.1
220.13286	0.9
232.09918	0.8
244.09760	0.9
271.21634	0.8
334.11191	0.8
457.20709	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.4
55.01867	3.2
55.05512	14.3
57.03423	4.6
57.07064	3.0
61.02944	2.4
65.41110	2.1
66.48112	1.8
67.05495	9.7
69.03442	14.7
69.07056	7.3
69.97659	8.4
70.06585	2.5
71.04984	5.1
73.02928	3.1
79.05482	8.0
81.03419	15.2
81.07064	25.6
82.76134	2.1
83.04990	16.6
83.08607	9.8
85.02915	29.6
85.06537	6.0
86.09702	6.1
87.00844	11.9
87.04465	4.9
91.05470	9.5
93.07049	18.5
95.04984	17.8
95.08614	13.6
97.02904	14.1
97.06519	10.0
97.10144	2.2
99.04472	10.6
105.01850	12.9
105.07037	20.9
106.02904	7.6
107.08613	29.3
109.02890	12.9
109.06514	28.8
109.10168	32.6
111.08054	7.6
115.07552	2.9
117.06947	2.7
119.08588	17.8
121.06631	2.3
121.10155	24.5
122.97757	2.1
123.08047	6.8
123.11697	6.3
124.03943	13.8
125.09633	8.9
127.03909	20.0
131.08589	12.8
133.10138	49.1
135.08051	7.8
135.11684	5.2
137.09676	4.5
137.13243	3.7
139.11186	2.5
145.04926	8.0
145.10106	6.1
147.08128	2.0
147.11685	18.9
149.13248	14.0
151.11185	13.3
153.09148	11.4
158.10854	2.6
159.02875	5.9
163.14793	8.3
165.12726	5.1
167.14304	12.6
173.13266	28.7
175.14848	37.0
181.15906	2.5
191.14330	41.5
193.15898	8.3
207.06546	6.4
209.15378	100.0
211.13228	3.0
225.07663	2.9
227.16441	24.8
231.05026	4.5
268.08295	10.6
285.09805	2.7
399.49365	2.3
420.92410	2.4
430.16837	3.5
492.16827	18.9
492.30411	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	492.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67743	1.3
53.03935	2.7
55.01866	1.8
55.05516	6.8
57.03432	1.5
57.22187	1.2
59.04976	1.6
65.03930	1.3
67.05502	9.1
69.03418	5.2
69.06736	1.4
69.07076	14.4
69.76059	2.6
69.76471	5.9
71.04984	4.6
79.05500	12.3
81.03413	8.4
81.07060	20.4
83.04966	2.2
83.08611	3.9
85.02921	10.2
85.06547	12.2
86.09686	2.0
87.00832	4.5
91.05492	16.8
93.06480	2.2
93.07043	29.1
95.04961	3.2
95.08045	2.5
95.08606	24.2
97.02870	5.2
97.06525	3.7
103.03964	1.5
105.01866	11.3
105.07037	22.8
107.04911	1.4
107.08601	82.3
109.02879	3.9
109.06528	11.0
109.10141	13.1
111.08069	3.0
117.01779	1.5
117.07018	3.3
119.06107	1.4
119.08582	18.8
121.06530	16.3
121.10146	34.3
123.08054	4.0
123.11736	1.4
125.87603	1.6
127.03948	7.9
129.07008	3.3
131.08572	38.3
132.55373	1.3
133.06441	1.5
133.10120	22.2
135.08038	10.2
135.11691	15.6
136.07535	1.9
137.09637	7.1
139.11263	1.8
143.08542	4.0
144.09346	1.5
145.04976	7.3
145.10149	12.3
147.11697	13.9
149.09598	4.1
149.13243	6.4
151.11198	1.9
158.10942	9.5
161.13228	3.1
163.14827	100.0
164.21021	1.6
171.11655	2.1
173.13278	66.3
175.14864	2.0
191.14314	68.5
207.13832	2.1
209.15399	9.0
211.13377	1.7
227.16412	2.1
231.04948	3.9
249.06094	1.6
284.09668	1.6
319.45673	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13707	1.1
53.03937	4.8
54.78814	0.9
55.01859	1.9
55.05497	3.7
57.03436	3.5
61.02929	1.7
67.05518	7.5
68.05846	1.2
69.03434	11.8
69.07069	14.7
69.23727	9.0
71.04993	6.4
73.02903	3.8
79.05508	4.7
81.03423	16.6
81.07069	8.2
83.01363	1.3
83.04967	2.6
83.08623	3.4
85.02910	55.8
85.06559	1.4
86.09740	1.3
90.04246	1.2
91.05484	2.9
93.07060	6.3
94.85674	1.0
95.04962	3.2
95.08613	4.4
97.02895	37.9
97.06543	1.4
97.10146	2.1
99.04462	40.5
103.03946	66.5
104.10770	1.8
105.07023	1.8
106.07368	1.3
107.04939	2.9
107.08605	4.3
108.04492	1.5
109.02883	17.3
109.06525	1.4
109.10149	5.1
115.03927	1.9
117.03403	2.2
119.08595	2.5
121.06500	2.4
121.10158	1.6
123.11697	5.7
125.09605	2.1
127.03922	100.0
131.08601	1.1
133.10135	2.0
135.04393	2.6
135.08040	1.1
135.11693	2.7
137.09676	1.0
145.04970	54.6
145.10123	2.0
146.03185	1.0
148.06047	1.8
151.11191	16.1
153.09070	1.1
163.03967	10.5
163.06015	26.4
163.11156	2.6
164.04221	4.6
164.11453	1.4
165.09140	3.4
166.09360	1.1
169.05000	1.7
171.11571	1.1
173.11824	1.3
173.13240	1.3
175.11198	1.2
187.06018	3.8
189.11237	1.6
193.12202	1.3
205.07036	1.7
219.13930	1.0
227.12811	2.7
228.13145	2.7
229.14346	2.9
234.48441	1.0
253.07161	1.3
267.15903	2.5
271.08084	10.0
289.09238	5.7
307.10129	3.6
351.25220	4.2
421.25842	1.5
456.22134	1.0
457.20526	3.1
460.27722	1.3
474.25677	1.7
492.25818	7.1
493.27707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57058	1.3
53.03957	3.6
53.31316	1.4
55.01863	2.0
55.05517	18.1
57.03441	28.5
57.07067	1.9
59.05005	2.5
65.03934	2.6
67.05506	47.1
69.03407	2.7
69.07070	14.9
71.04980	3.8
71.52856	2.3
71.53236	2.2
79.05497	43.7
81.03416	2.9
81.07059	52.0
83.04957	4.4
83.08601	7.3
85.06529	2.0
85.85619	1.5
91.05489	39.5
93.07046	43.1
95.04969	6.7
95.08614	37.4
97.06530	5.7
97.10167	4.1
98.98455	7.8
99.08099	2.1
105.04529	1.5
105.07032	24.3
107.04944	2.8
107.08603	30.3
109.02848	1.7
109.06519	4.4
109.10147	15.1
111.08080	3.1
117.07012	11.9
119.08582	21.0
121.06520	2.3
121.10151	20.5
123.08065	2.0
123.11708	3.3
125.09625	4.2
129.07031	4.2
131.08546	13.3
133.06490	1.7
133.10141	17.3
135.11708	16.1
142.02649	7.0
143.08575	3.3
145.10103	8.6
147.07956	1.7
147.11682	9.7
149.09601	2.9
149.13249	7.8
157.10167	3.1
159.11665	8.2
161.13263	8.3
163.11168	2.5
171.11676	3.0
173.02052	2.6
173.13313	4.6
175.14828	3.9
177.16510	1.6
185.13234	3.8
187.14815	5.9
205.15884	3.0
216.06360	3.1
227.12627	3.0
241.19489	6.0
259.20563	13.5
275.91791	1.7
277.21576	16.6
293.21182	13.6
295.22745	3.9
302.24789	2.6
320.25760	6.0
333.24252	60.4
351.25302	100.0
460.27536	2.0
474.26230	3.7
480.46164	1.9
492.26984	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53716	0.6
53.03946	1.4
54.87310	0.7
55.01864	1.3
55.05513	8.1
57.03206	0.6
57.03442	4.8
57.07079	0.8
62.06091	2.9
65.03930	0.8
67.05505	21.6
69.03425	0.8
69.07072	10.5
69.38827	4.9
71.05005	1.2
71.08635	15.7
79.05495	21.1
81.03407	2.8
81.07057	26.7
81.07533	1.6
83.04975	4.2
83.08629	5.4
85.06532	1.2
91.05482	15.3
92.05801	0.9
93.07050	27.2
95.04986	3.4
95.08609	19.4
97.06516	4.2
97.10155	2.3
98.06036	1.3
98.21545	1.0
98.98470	5.4
99.08102	11.9
105.06393	1.0
105.07035	13.0
107.04948	3.4
107.08595	14.2
109.06505	1.8
109.10170	6.6
111.08080	1.1
111.11700	0.6
113.09660	1.0
117.06979	3.3
119.08604	8.7
121.10153	9.8
123.08053	0.9
123.11720	1.4
125.09644	1.5
129.07004	1.4
131.08565	3.4
133.10130	8.2
135.11696	11.1
137.09561	1.7
139.11192	0.7
141.09099	1.3
142.02699	0.9
143.08572	1.6
145.10107	2.2
147.11691	5.9
149.13246	3.4
151.11183	6.2
153.12772	1.1
155.01105	1.1
157.10126	1.3
159.11681	2.7
161.13290	6.4
163.11217	2.9
163.14870	1.4
165.12738	1.4
171.11656	1.4
173.13286	1.3
175.14864	1.3
175.58772	0.6
177.12799	1.0
179.14319	29.5
181.12228	0.8
185.13324	1.2
187.14850	0.7
189.12877	1.0
189.16447	0.7
195.13818	1.2
207.13893	1.1
213.16286	0.9
216.06361	1.8
221.15158	0.7
222.18527	1.7
241.19539	2.2
253.17976	1.1
259.20673	4.1
277.21646	21.9
295.22659	1.2
302.24878	1.7
320.25833	14.6
333.24222	10.8
349.95230	0.6
351.25293	100.0
352.25601	1.2
413.21054	0.9
431.21924	3.8
474.26151	2.2
492.26727	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.05511	12.8
57.03425	8.3
67.05515	19.7
69.07064	8.9
69.24496	6.0
69.24898	21.2
78.10675	2.9
79.05493	32.7
81.03415	10.3
81.07068	22.0
83.04975	3.4
83.08659	3.9
91.05479	26.6
93.07055	26.7
95.04967	12.7
95.08627	18.0
95.10316	3.4
97.06557	6.1
97.10190	3.7
101.78487	3.5
105.07032	21.5
106.94749	3.4
107.04972	7.0
107.08587	13.1
109.02848	3.5
109.10183	11.9
117.07028	7.3
119.08601	11.4
121.06538	4.2
121.10146	8.6
123.99469	3.3
125.09633	4.5
129.06989	3.7
131.08600	7.6
133.10130	10.9
135.11674	6.7
143.08525	3.9
145.10143	8.2
146.10355	3.2
147.11693	9.4
154.94174	4.3
157.10138	4.7
163.79562	3.2
172.95319	3.0
173.13342	3.5
177.05434	3.6
216.50574	3.1
228.13115	4.3
241.19502	4.2
277.21646	4.2
333.24268	100.0
351.24716	13.1
399.47778	3.0
456.96472	3.4
469.16467	6.1
474.28183	6.0
492.26923	13.2
493.28323	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	492.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19561	0.4
55.05515	0.8
56.05029	0.4
57.03423	0.5
60.07889	0.4
60.08165	5.5
67.05492	1.6
69.07040	0.5
71.04373	0.8
71.07383	2.0
79.05491	0.7
81.07052	1.3
83.08631	0.5
83.31096	0.3
86.09711	27.5
91.05490	0.9
93.07043	1.0
95.08610	0.8
97.06564	0.6
98.98475	2.8
104.10737	2.5
105.07027	0.7
107.08601	0.7
109.10184	0.4
119.08588	0.6
125.00014	17.9
143.24033	0.4
184.07350	100.0
310.81863	0.4
392.57831	0.4
474.29550	0.6
492.31894	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	492.309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.03402	0.4
60.08165	5.7
61.97931	0.4
67.05495	1.1
69.07066	0.5
69.63341	1.4
69.63754	0.7
69.65065	0.4
71.07372	2.9
79.05502	0.5
81.03407	0.4
81.07075	1.9
84.09499	0.4
86.09712	31.6
91.05454	0.4
93.07053	1.0
95.05032	0.6
95.08612	1.2
98.98469	3.3
104.10748	2.9
106.75684	0.3
107.04991	0.5
107.08608	0.4
109.10174	0.5
110.41640	0.4
119.08555	0.7
124.04390	0.4
125.00018	19.0
165.09109	1.8
166.09473	0.9
184.07353	100.0
195.08551	0.4
207.03629	0.4
227.12828	0.5
294.41458	0.4
456.24121	0.5
474.29901	1.1
492.31134	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	493.0584
Annotation	Unknow
Peak:m/z	Relative Intensity
65.43630	1.0
71.26146	1.8
78.95638	18.8
101.82212	1.1
133.38864	1.2
150.94063	17.3
167.67773	1.1
185.04211	11.7
203.05290	24.2
204.87054	1.3
210.94919	15.0
228.95970	15.6
229.24532	1.1
240.95985	16.1
247.38341	1.2
258.96948	2.1
261.30542	1.1
270.97049	21.1
294.97086	1.4
312.98117	14.9
330.99106	12.5
365.10574	100.0
381.07947	44.6
493.04669	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	493.113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	1.8
53.03941	4.3
55.01869	5.5
55.05513	14.4
57.03424	4.9
65.03951	1.7
67.05504	27.5
69.03426	3.6
69.07058	7.3
70.11147	7.7
71.04994	2.1
79.05495	25.0
81.03427	22.7
81.07058	27.0
83.04973	7.1
83.08627	10.6
85.02887	6.2
85.06556	2.2
89.03906	6.7
91.05486	25.9
91.06039	3.0
93.07042	18.6
95.04979	20.4
95.08605	11.3
97.02879	2.8
97.06527	6.1
97.10164	7.7
99.04465	1.7
103.05432	3.1
105.03337	3.9
105.07037	16.4
107.04958	17.6
107.08595	14.2
109.02843	2.5
109.06502	6.5
109.10150	7.4
111.04440	7.3
111.08074	2.6
115.05460	6.0
117.03381	7.1
117.06997	6.0
119.04941	3.3
119.08585	10.4
121.02853	2.3
121.06488	6.1
121.10169	9.1
121.10915	1.6
123.04433	80.2
123.05335	3.9
123.08040	2.1
125.09612	6.9
129.07014	6.0
130.07826	2.1
131.04944	15.4
131.08557	9.9
132.05659	2.1
133.02821	12.5
133.06456	2.4
133.10149	5.5
134.03664	3.9
135.04413	20.4
135.08069	3.9
135.11670	7.1
137.02344	13.0
139.03932	2.2
139.11185	2.1
141.06943	1.8
143.04955	2.3
143.08592	2.0
145.02809	7.9
145.10098	10.6
147.04413	30.0
147.08037	4.1
147.11693	5.1
149.09633	4.0
149.13376	2.4
151.03893	3.5
151.11168	2.5
153.06891	2.0
155.08549	2.1
157.10114	5.2
159.04420	17.0
159.11700	2.2
160.05203	52.5
161.02339	8.7
161.05972	20.0
161.09586	2.2
163.03900	52.0
163.05251	3.1
163.11182	10.7
165.07030	6.7
165.09088	9.1
166.07954	2.2
166.09464	5.4
167.08525	2.0
171.08119	1.9
173.02174	2.2
173.06027	1.9
173.09624	2.9
175.03914	19.9
175.11186	6.5
176.04706	2.3
176.06204	6.2
177.05438	9.2
177.06915	3.9
177.12671	1.9
179.03395	14.5
180.04135	2.1
181.06487	3.0
181.12268	3.9
184.07341	1.8
184.32298	1.5
187.03813	9.2
189.11252	5.5
191.03400	69.1
191.10608	4.3
193.06473	5.7
193.12219	9.5
194.07210	2.9
195.08113	4.0
197.06006	6.5
203.03427	3.1
204.04153	8.3
204.05782	2.7
205.04858	5.8
205.06517	13.1
205.12328	2.6
207.02856	2.7
209.11655	8.4
211.07571	6.3
211.13290	6.1
213.12849	1.9
219.02942	1.9
220.14029	3.4
221.05984	26.1
222.06773	7.8
223.07573	18.6
225.05423	3.2
226.06174	2.9
227.12784	10.2
231.06537	2.3
233.06012	7.5
235.07506	2.3
237.05524	6.1
239.07022	17.0
242.05753	4.2
243.06584	5.2
247.07483	4.1
249.05466	22.8
250.06308	21.4
251.07063	20.8
253.04990	3.3
255.06506	36.0
257.08130	2.4
260.94351	2.1
263.07004	4.6
265.04935	7.9
266.05893	3.4
267.06509	36.2
267.15979	8.1
268.07306	100.0
269.08075	23.8
271.06018	2.3
273.05548	3.8
275.06989	2.8
277.05005	4.7
278.05731	8.6
279.06488	14.3
283.05923	5.3
283.15286	4.9
285.07516	14.0
291.06448	7.7
295.05991	34.1
296.06720	10.6
297.07516	4.5
301.05014	4.3
303.06363	4.8
309.09122	2.5
311.05695	2.3
313.07077	87.7
314.07849	13.3
319.05988	29.8
321.07553	24.9
337.06976	10.1
339.08496	2.3
347.05499	30.3
355.09579	3.4
355.22412	2.5
365.06580	23.1
365.21115	2.7
383.07706	12.4
383.22134	6.1
387.08704	2.1
393.07465	4.2
401.10162	4.0
401.23242	8.4
411.08768	11.3
427.07886	4.0
429.09793	30.4
429.26764	2.1
439.08246	10.5
445.09277	2.0
447.10880	6.6
447.27158	3.1
457.09253	21.1
457.25705	2.4
475.10248	12.0
475.26901	18.0
493.11359	20.0
493.27811	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	493.1133
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
50.19999	1.5
51.16137	1.3
53.03955	5.0
55.01876	6.3
55.05507	10.4
55.53603	1.6
57.03451	3.3
65.03932	3.0
67.05503	20.0
69.03442	3.2
69.07064	6.1
69.83530	7.0
71.04986	3.1
77.03942	1.9
79.05492	21.3
81.03423	37.9
81.07059	21.9
83.04967	8.5
83.08617	9.2
85.02916	6.0
88.44514	1.6
89.03925	4.2
91.05485	17.0
93.07029	20.0
95.04960	17.1
95.08624	13.3
97.06546	4.9
97.10189	3.8
103.05488	3.6
105.03393	5.5
105.07026	11.9
107.04953	16.0
107.08616	14.4
109.06528	3.5
109.10150	7.1
111.04462	8.1
111.08099	5.2
115.05462	5.8
117.03378	6.2
117.07033	5.5
119.04971	1.9
119.08603	13.1
121.06521	4.7
121.10150	11.4
123.04427	48.1
123.11736	2.1
125.09650	3.1
127.04028	1.8
129.06989	4.5
131.04956	12.8
131.08542	9.1
132.05759	2.0
133.02840	11.9
133.06543	2.8
133.10133	6.2
135.04422	11.8
135.08093	4.0
135.11673	12.3
137.02348	17.3
137.09651	4.4
141.15990	1.5
143.08574	3.3
145.02864	3.2
145.10117	9.3
147.04408	30.8
147.08041	2.0
147.11691	5.2
149.09599	3.8
151.03893	2.7
153.07033	2.3
153.12762	4.0
155.08531	2.4
157.10127	4.2
159.04422	13.1
159.11734	2.8
160.05203	45.8
161.02339	7.7
161.05971	16.4
163.03912	35.7
163.11189	16.4
165.07007	6.7
165.09119	31.3
167.08636	1.9
171.11662	3.1
173.09662	3.3
175.03889	18.0
175.11218	4.7
176.04703	4.8
176.06291	5.3
177.05455	5.3
177.06952	3.0
179.03409	13.5
181.06503	3.9
181.12231	5.9
187.03830	8.1
189.11313	2.1
191.03403	49.2
191.05086	3.4
191.10733	3.9
193.06531	3.5
193.12247	13.8
194.07361	3.4
195.08121	3.7
197.05977	6.5
203.03342	3.9
204.04192	7.3
204.05811	2.5
205.04916	5.5
205.06543	8.3
209.05969	1.9
209.11717	4.3
211.07632	3.7
211.13374	5.9
213.05510	2.9
219.08046	1.8
221.05994	22.7
222.06752	7.9
223.07582	16.6
225.05434	2.3
226.06267	2.3
227.12761	19.0
231.06509	3.2
233.04034	2.2
233.06013	7.0
235.07541	2.1
237.05519	7.9
239.06995	17.4
240.07901	3.0
242.05843	4.2
243.06512	5.9
245.05951	3.0
247.07588	2.6
249.05469	18.7
250.06245	17.5
251.07059	26.7
253.04968	3.1
255.06520	30.9
257.08099	1.9
263.07080	4.5
265.04950	7.8
265.14352	2.1
266.05676	4.9
267.06567	32.6
267.15988	14.6
267.18097	1.8
268.07315	100.0
269.08121	18.6
271.06201	1.9
273.05551	3.7
275.06903	2.4
277.05069	5.6
278.05759	7.5
279.06512	15.3
282.05087	1.8
283.06042	4.1
283.15356	9.7
284.06717	2.5
285.07639	5.4
285.18472	3.0
291.06430	10.8
293.07993	2.1
295.06027	29.0
296.06824	9.4
297.07474	4.8
301.04932	3.2
303.06390	4.4
309.09052	2.4
311.05490	1.9
313.07056	68.3
313.18039	3.0
314.07773	10.5
319.06073	32.1
321.07556	22.7
331.19223	2.6
337.06940	11.3
339.08688	3.5
347.05481	33.0
353.06549	4.3
355.09882	3.0
365.06491	18.5
365.21317	1.9
383.07886	12.8
383.22116	4.9
393.07309	3.0
399.08752	2.5
401.10098	3.6
401.23056	5.7
411.08606	7.6
427.08298	5.7
429.09674	29.3
431.07556	3.0
439.08258	13.2
441.03015	1.8
445.08932	2.5
447.10812	6.4
457.09271	20.6
457.25867	4.8
475.10315	17.2
475.27042	18.6
493.11835	3.6
493.28189	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	493.1133
Annotation	Salvianolic acid C
Peak:m/z	Relative Intensity
50.36681	1.6
53.03955	4.2
55.01871	4.0
55.05497	6.9
57.03425	2.7
67.05512	13.4
69.03439	2.8
69.07064	4.2
69.62421	10.7
79.05501	13.0
81.03423	17.7
81.07065	15.5
83.04967	3.1
83.08623	4.0
85.02927	4.3
89.03922	6.5
91.05481	13.6
93.07072	9.8
95.04990	10.2
95.08597	11.6
97.10185	2.8
102.60873	1.7
103.05476	3.0
105.03390	5.6
105.07037	7.3
107.04946	8.7
107.08589	5.9
109.06484	2.7
109.10143	5.9
111.04442	5.7
111.08072	2.0
115.05441	4.9
117.03384	4.4
117.07063	2.3
119.08588	7.9
121.06503	3.0
121.10144	7.1
122.07315	1.8
123.04430	74.0
126.44238	1.6
129.07011	2.2
131.04929	10.9
131.08585	4.3
132.05659	2.9
133.02882	8.4
133.06514	3.2
133.10161	3.4
134.03654	2.9
135.04425	18.9
135.11668	5.6
137.02379	14.1
137.03326	2.7
137.09589	3.5
145.02847	5.1
145.10124	6.7
147.04425	26.3
147.11642	2.6
149.09593	3.2
149.13275	2.3
151.03835	2.5
159.04433	14.0
160.05212	51.6
161.02391	9.1
161.06007	14.2
163.03915	68.5
163.11200	7.6
165.07043	4.3
165.07693	2.2
165.09119	39.1
175.03915	18.6
176.04756	4.4
176.06223	3.6
177.05493	6.2
177.06923	2.3
179.03416	13.2
181.06503	3.4
187.03926	7.9
189.07097	1.9
191.03412	50.5
191.10609	2.2
191.84059	2.1
193.06477	3.2
193.12225	5.3
194.07271	3.5
195.07988	4.0
197.05994	7.4
203.03427	2.9
204.04118	9.5
204.05867	2.8
205.04871	3.7
205.06537	10.9
205.12260	4.4
207.03033	2.2
209.11833	2.4
211.07578	5.8
211.13274	6.1
213.05493	1.7
221.05992	22.5
222.06712	9.7
223.07542	14.6
225.05438	2.5
226.06233	2.7
227.12784	13.2
231.06465	2.5
233.06047	5.8
234.06892	3.1
235.07494	1.7
236.12299	1.9
237.05434	10.0
239.06934	15.2
240.07924	2.9
242.95633	1.8
243.06567	3.8
249.05521	21.9
250.06317	23.7
251.07025	19.1
253.04901	3.4
255.06537	25.7
263.07077	5.5
265.04913	7.8
266.05768	3.4
267.06500	32.2
267.15945	6.0
268.07315	100.0
269.08051	15.9
273.05447	3.5
275.07062	3.6
277.05005	3.7
278.05774	11.2
279.06458	10.8
283.06165	3.0
283.15414	3.1
283.93356	1.8
284.06979	2.0
285.07620	17.8
291.06497	7.4
295.05997	34.2
296.06729	10.4
297.07620	4.5
301.04953	4.0
303.06345	4.2
313.07056	83.0
314.07837	9.9
319.06000	32.0
321.07590	21.4
337.07449	7.4
339.08386	2.7
347.05493	30.2
355.09802	2.6
365.06671	23.0
383.08029	8.8
383.22293	2.4
387.08466	3.7
393.07407	5.3
401.10135	2.6
411.08578	8.8
427.08112	3.3
429.09689	24.5
429.34320	2.0
439.08142	15.3
445.09219	2.0
447.10617	8.0
457.09192	18.0
475.10263	13.9
475.27100	8.6
493.11295	23.9
493.27948	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	493.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.2
53.03945	2.8
55.01867	2.9
55.05516	7.9
57.03441	2.3
63.85341	1.0
65.03941	2.1
67.05507	14.2
69.03416	3.6
69.07059	5.3
71.04977	2.0
71.53159	2.0
77.03936	1.3
79.05500	12.2
81.03429	13.5
81.07058	14.1
83.04971	3.7
83.08640	5.7
85.02912	2.3
89.02905	1.0
89.03928	5.0
91.05483	13.9
93.07053	11.3
95.04981	12.9
95.08608	6.4
97.02898	2.8
97.06535	3.4
97.10173	4.0
100.11245	4.3
103.05448	1.6
105.03400	1.9
105.04485	1.5
105.07029	6.8
107.04974	5.7
107.08614	7.7
109.02873	3.8
109.06512	2.1
109.10146	4.2
111.04438	3.8
111.08076	2.1
115.05428	1.1
117.03368	3.4
117.06982	3.4
119.04973	1.7
119.08614	6.9
121.02818	1.5
121.06496	3.3
121.10151	6.1
123.04436	74.2
123.08040	2.0
123.11703	2.8
125.05983	1.0
125.09612	2.1
127.03890	3.0
128.06236	1.1
129.06944	3.3
131.04901	2.9
131.08580	5.6
133.02850	2.2
133.10129	4.1
135.04430	15.0
135.08066	2.5
135.11658	4.9
137.02325	3.5
137.09619	1.7
141.06982	1.2
143.08582	2.8
145.02841	3.4
145.10100	5.4
147.04381	7.3
147.07928	2.4
147.11679	3.1
149.09619	3.0
151.07504	1.2
155.08548	2.0
157.10115	3.5
159.04433	2.7
159.08032	2.0
159.11717	1.8
160.05177	8.7
161.02344	1.4
161.05992	1.9
161.09651	1.2
161.13251	1.3
163.03923	14.3
163.11198	7.4
165.07013	2.6
165.09132	3.3
168.13815	2.8
169.10051	1.3
171.11679	1.5
173.09645	1.8
175.03935	3.1
179.03346	2.6
181.12212	1.2
182.15434	3.9
183.11668	1.7
189.11307	2.1
189.12811	1.8
191.03406	72.7
191.10617	1.6
193.12210	4.3
197.06000	2.5
199.11073	1.2
204.04202	3.4
205.04915	1.8
205.12146	1.5
207.11673	1.0
209.11751	4.2
210.14899	1.2
211.11316	1.7
211.13197	2.2
213.12866	1.4
217.12419	1.5
221.06021	5.5
222.06786	1.4
223.07524	2.9
227.12706	6.0
231.13730	1.2
235.13240	1.1
237.05424	2.0
239.07005	3.5
243.06627	1.4
245.13907	1.4
247.13268	1.9
249.05423	5.5
249.14767	1.7
250.06383	2.8
251.07059	4.4
253.04979	1.6
255.06548	2.6
257.19113	2.0
267.06555	6.4
267.15985	3.5
268.07324	13.7
269.08023	3.8
277.04712	1.0
279.06552	1.9
283.15344	1.6
285.18347	1.6
287.41153	1.2
291.06512	2.1
295.05981	6.7
295.16882	1.8
296.06821	1.1
301.18015	3.0
303.19543	1.4
309.21646	1.3
313.07065	100.0
313.17923	2.2
314.07721	4.0
319.06046	3.9
321.07693	3.0
331.19006	3.9
347.05566	5.5
355.22559	2.4
365.06589	2.1
365.21075	1.4
367.66513	1.1
373.24265	1.1
383.07483	2.7
383.22144	3.5
401.23199	6.4
418.40927	1.1
429.09766	3.5
439.08191	2.1
457.09055	2.5
457.26147	1.6
475.10126	2.0
475.27383	10.4
493.11209	1.9
493.28311	20.9
493.37314	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	493.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
53.43898	3.8
55.01883	4.4
55.05497	10.0
57.03445	4.1
67.05497	7.2
69.03426	20.0
69.07054	5.1
70.06593	23.8
71.04979	5.0
71.51142	5.5
79.05492	6.7
81.03411	13.5
81.07051	18.5
83.04977	7.6
84.04527	5.9
84.08107	5.5
85.02902	50.8
86.09697	9.1
87.00842	25.2
91.05471	11.7
93.07038	19.0
95.04951	13.3
95.08591	13.6
97.02875	21.0
98.06046	4.1
99.04454	12.2
99.08080	5.0
103.80696	3.7
105.01873	32.0
105.07027	31.4
107.04953	5.5
107.08575	14.9
109.02887	20.6
109.10136	6.0
119.08582	100.0
120.08086	6.0
121.10126	32.3
122.06876	6.0
123.08049	5.1
127.03909	37.8
131.08566	31.6
133.10121	32.1
135.08057	5.6
135.11726	7.5
137.09634	5.7
141.06621	8.5
145.05017	21.7
145.10139	6.2
147.11688	8.2
151.11203	8.7
154.68167	4.4
159.11743	6.2
161.09637	5.1
161.13258	70.4
163.14809	8.6
173.13289	36.3
177.05484	6.8
178.05807	8.0
179.14325	40.2
182.08977	5.6
185.09186	5.2
191.14317	18.5
193.12392	4.4
197.15337	48.7
209.15370	53.0
210.08498	6.5
215.16449	5.6
227.09145	11.2
227.16397	30.7
228.09502	8.9
231.04947	10.5
251.14177	4.2
326.07013	4.6
334.68500	4.6
399.38004	4.0
471.49719	4.3
475.26590	5.6
493.17776	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.01881	3.3
55.05506	4.7
55.33682	1.8
56.05019	2.6
57.03433	2.2
61.02917	3.3
67.05486	2.6
69.03432	20.1
69.07069	2.3
70.06578	5.1
71.04984	3.1
71.08085	4.6
73.02905	2.7
74.06051	2.4
79.05063	1.7
79.05493	5.8
81.03409	10.7
81.07058	4.8
83.04972	6.8
84.08152	3.5
85.02438	3.7
85.02911	43.7
85.06537	4.6
85.48250	1.8
86.49675	1.7
87.00829	23.8
89.03257	1.8
91.05469	4.7
93.07019	9.7
95.04981	4.0
95.08607	7.7
97.02888	17.7
97.06499	3.6
99.04440	5.1
99.08060	4.3
100.14569	1.8
105.01877	36.1
105.07040	13.6
107.08606	14.9
109.02880	16.3
109.06571	1.9
109.10152	4.1
111.08073	2.2
119.08587	100.0
121.10144	15.4
123.08096	2.4
127.03925	34.3
131.08569	6.9
133.10178	11.6
135.11700	6.0
143.08533	2.6
145.04958	16.3
147.11691	5.2
149.09612	4.5
151.11180	3.2
159.02905	4.2
161.09636	7.5
161.13287	33.9
173.13255	8.2
179.14325	8.9
185.09482	2.3
191.14311	12.5
197.15390	2.4
209.15399	38.6
215.16434	3.0
227.10739	2.2
227.16443	9.7
231.04997	12.9
245.17468	7.3
249.06047	3.6
269.15512	2.6
287.16547	2.3
325.13477	2.2
423.64603	1.9
447.66922	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	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03939	3.2
55.01874	7.9
55.05516	25.1
57.03438	10.4
57.07076	1.5
59.04985	2.5
62.39315	1.2
64.24599	1.0
65.03929	2.1
67.05183	1.9
67.05511	28.0
69.03423	3.4
69.07071	7.1
70.90981	2.5
71.05005	5.5
74.83363	1.1
79.05502	34.4
81.03426	44.3
81.07068	32.4
83.01347	6.9
83.04989	17.0
83.08624	18.8
85.02918	19.3
87.04532	1.2
91.05495	29.8
93.06489	1.7
93.07054	30.4
95.04979	20.0
95.08611	14.7
97.02901	4.3
97.06549	8.2
97.10178	5.0
99.04437	3.3
99.08121	1.4
103.05472	1.3
105.04588	1.3
105.06386	2.1
105.07045	21.0
107.04968	11.5
107.08588	13.7
109.06519	7.5
109.10153	4.7
111.04461	3.9
111.08091	7.1
113.05979	1.4
115.05502	1.5
117.07030	7.6
117.67350	1.2
119.08594	16.2
121.06520	4.7
121.10152	11.9
123.08069	7.1
123.11697	2.2
125.09637	3.7
126.04263	1.1
129.06979	7.4
130.07722	1.5
131.04874	1.0
131.08545	9.3
133.05507	1.2
133.06506	2.7
133.10132	6.6
135.08061	3.1
135.11708	8.8
137.09615	2.7
142.07814	2.2
143.08507	1.7
145.10149	12.3
147.08058	4.2
147.11691	8.9
149.09613	3.6
153.12735	2.7
155.08572	2.6
157.10103	7.3
163.03954	1.6
163.11200	17.5
165.12790	2.4
173.09663	3.5
175.11221	10.0
181.12296	3.8
191.10686	2.1
193.12270	34.2
193.98518	1.2
209.11775	5.5
211.13309	47.6
227.12868	6.0
249.14920	2.3
267.06421	1.4
267.15903	7.5
268.07312	1.7
283.15384	6.0
352.25830	2.4
383.22189	3.9
401.23315	1.9
419.24280	1.3
457.25851	1.2
475.26740	8.2
493.28009	100.0
494.28873	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
51.02375	0.9
53.03942	3.9
55.01876	9.3
55.05516	26.6
57.03445	8.7
57.07072	1.5
59.04985	2.3
65.03948	1.9
67.05506	33.1
69.03433	5.6
69.07070	9.4
70.57043	1.5
70.57403	1.5
71.01370	1.2
71.04992	8.1
71.08642	1.8
77.03913	0.9
79.05498	35.6
81.03419	52.1
81.07059	35.4
83.01353	5.8
83.04980	17.4
83.08621	22.4
84.90264	0.7
85.02911	19.0
85.06548	2.7
91.04908	1.9
91.05484	36.3
92.05872	0.8
93.07048	34.7
95.04970	22.7
95.08612	15.1
96.75703	0.7
97.02879	5.0
97.06537	7.7
97.10158	5.9
99.04454	2.2
99.08083	1.4
103.05454	0.9
105.04515	1.2
105.07037	25.2
107.04963	12.9
107.08594	18.4
109.02937	1.1
109.06536	8.6
109.10168	6.9
110.10535	0.8
111.04460	6.6
111.08082	9.3
113.06047	2.2
115.05476	2.4
117.07016	9.0
119.04963	0.9
119.08587	21.1
121.06542	4.2
121.10144	15.5
123.04430	2.5
123.08067	6.7
123.11714	1.9
125.05978	1.5
125.09632	3.2
129.07018	10.9
129.53824	0.7
130.07779	1.4
131.04884	1.3
131.08563	12.6
133.06512	2.8
133.10133	9.3
135.04460	1.4
135.08069	3.4
135.11673	11.3
137.06000	1.1
137.09621	2.6
139.07533	0.9
142.07802	1.7
143.08575	2.9
145.06503	2.0
145.10114	13.6
147.08034	4.2
147.11694	8.2
149.09647	5.9
149.13339	1.4
151.11205	2.2
153.12704	3.9
155.08574	1.9
157.10118	8.3
159.11722	1.4
160.05194	1.2
161.05946	1.4
163.03958	2.1
163.11180	24.0
165.09094	1.2
165.12823	2.1
169.10187	0.8
171.11687	0.8
173.09615	4.8
175.11176	11.2
177.05505	1.8
177.12715	1.0
181.12210	4.2
189.11180	2.0
191.03412	0.8
191.10680	6.0
193.12254	35.3
209.11736	8.6
210.12177	0.8
211.13295	40.5
227.12746	10.1
229.14357	1.1
231.13858	2.2
249.14896	2.3
264.67407	0.8
265.14343	1.9
267.15851	9.2
268.07397	2.1
283.15427	8.3
313.06903	1.1
321.26273	1.2
331.19348	0.9
352.25543	4.0
355.23004	0.9
365.21143	1.4
383.22150	4.6
401.23291	3.6
419.24237	1.8
422.26099	1.9
429.10092	0.9
447.27237	1.3
457.25989	2.1
475.27118	12.1
493.27994	100.0
494.28314	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.4
53.97459	0.7
55.01871	1.4
61.47099	0.6
62.06096	1.0
64.88066	0.6
65.03937	1.8
65.56815	0.6
67.05500	1.8
68.99799	6.1
70.17347	2.4
75.04477	1.6
77.03940	1.1
78.04722	1.3
79.05499	4.7
81.07056	1.1
85.02916	1.7
89.03928	2.9
91.05489	18.1
92.05314	0.7
93.03412	6.6
93.07053	3.8
95.04982	4.3
95.08569	0.7
99.08098	1.6
103.05473	7.3
105.04538	0.8
105.07047	3.0
106.04188	11.5
107.04954	7.9
109.06519	1.2
111.04488	0.9
117.03392	5.6
117.60941	0.7
118.04118	1.5
119.04964	5.7
120.02108	0.9
121.02885	2.7
121.06516	20.1
123.04450	1.3
123.08073	0.9
124.05235	1.7
125.05995	6.1
131.04950	6.8
132.05730	3.7
133.02838	0.7
133.06497	2.0
133.10124	2.0
134.03651	5.4
135.04416	11.4
136.05269	1.5
137.05980	3.8
139.07568	7.2
145.02878	5.9
147.04439	3.7
148.05223	2.7
149.05995	32.3
151.07530	2.8
152.04756	1.0
153.05481	2.6
153.09102	7.0
153.90677	0.7
154.06258	2.5
155.95837	0.6
159.04425	1.1
160.05241	1.6
161.06000	5.5
162.03133	2.4
163.03922	23.1
163.07539	2.7
164.04691	0.9
165.05507	3.1
166.06207	0.7
167.07048	22.7
175.04008	1.0
177.05475	27.5
178.02692	1.0
179.07013	5.8
180.04164	6.0
180.07785	6.6
181.04913	1.4
181.08597	15.3
182.09428	5.9
191.03409	3.2
191.07034	10.8
192.07817	10.8
193.08626	5.9
193.15768	1.4
194.05832	0.9
195.06548	10.4
205.04979	1.5
208.03741	1.9
209.08109	100.0
210.08897	14.7
211.16975	1.5
223.06030	98.8
224.06453	1.1
247.46823	0.6
250.77321	0.7
290.57788	0.7
378.64734	0.7
383.11267	2.0
403.13846	1.4
415.13647	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	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33525	0.7
53.03938	2.2
55.01863	1.4
55.05505	3.2
57.03436	1.9
57.07082	0.8
59.04999	1.8
61.02916	0.9
67.05496	4.6
67.38625	0.8
69.03426	5.4
69.07074	4.5
69.85709	3.7
71.04995	13.0
73.06561	3.1
79.05495	6.5
81.03441	5.8
81.07064	21.4
81.07536	1.6
83.04977	1.6
83.08632	2.9
85.02911	25.3
85.06541	1.7
85.76424	0.7
85.92654	0.7
86.09718	1.3
87.00815	2.1
91.04998	0.8
91.05465	4.2
93.07049	15.9
95.04966	4.1
95.08622	8.1
97.02901	7.9
97.06531	4.2
97.10158	1.0
99.04474	11.6
103.03952	27.9
105.01904	1.2
105.07032	3.5
107.08594	13.3
108.08937	0.8
109.02892	5.7
109.06537	3.0
109.10172	8.7
111.08105	1.4
114.33189	0.8
115.07594	1.0
117.07017	1.0
119.08602	4.8
121.06523	2.3
121.10143	3.0
123.08071	1.5
123.11735	3.4
127.02972	1.6
127.03923	30.0
127.11160	1.5
133.10159	6.9
135.08069	1.5
135.11703	27.9
137.09665	1.7
139.11217	1.1
145.04970	25.1
145.10191	1.0
147.11711	1.6
149.13283	2.2
153.12753	100.0
154.13029	1.2
157.10158	1.5
163.03960	1.5
163.06027	27.9
163.07404	1.5
163.11281	1.6
165.12709	1.1
171.11708	0.9
175.11171	1.0
175.14816	8.7
178.04944	4.3
187.06013	1.4
193.12181	1.9
193.15892	13.0
205.07104	2.2
211.16930	21.0
211.18802	1.5
223.13301	1.2
235.13428	1.1
244.18773	0.8
251.12848	1.2
253.14368	2.4
257.08060	0.9
258.08401	1.3
266.90979	0.8
271.08185	1.9
285.07632	0.9
286.07886	1.3
289.09091	1.8
297.17023	5.8
307.10260	11.8
476.26865	1.5
494.11575	1.3
494.18457	1.3
494.28336	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
55.05514	4.3
56.05040	1.2
57.03436	1.6
57.07079	1.4
58.06586	1.6
59.07384	0.3
60.08169	17.1
65.67070	0.2
67.05175	0.4
67.05510	4.1
68.35876	0.2
69.07075	5.1
71.07379	6.6
71.08627	0.8
71.52907	0.3
79.05495	1.3
81.07059	4.1
83.08624	3.5
85.10200	0.4
86.09711	51.3
91.05481	0.9
93.07055	0.9
95.08602	3.0
97.10166	2.0
98.98482	3.8
104.10751	100.0
105.07018	0.4
107.08609	0.6
109.10161	1.1
111.08109	0.3
111.11749	0.3
121.10165	1.0
123.11723	0.7
125.00011	29.4
133.10115	0.5
140.99472	1.3
143.01057	0.3
147.11684	0.3
149.13249	0.3
161.13268	0.3
163.01611	0.7
181.02576	0.3
184.07350	92.4
193.04948	0.3
197.02179	1.2
200.05525	0.3
213.00185	0.3
215.03181	0.3
236.93951	0.2
254.95192	0.7
258.11047	0.6
263.23737	0.5
311.25781	1.6
337.27390	12.9
338.27673	0.3
407.51974	0.3
417.24326	0.5
476.31451	10.4
494.32449	34.7
495.32883	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.3
55.01865	2.2
55.05517	17.9
57.03448	11.7
57.07066	5.1
62.06098	3.1
65.03924	2.2
67.05507	54.0
69.07072	18.3
71.04966	2.2
71.08630	26.0
71.53008	1.2
79.05069	2.2
79.05493	26.1
81.07060	62.9
83.04980	2.4
83.08620	13.0
83.41995	1.3
85.02898	3.1
85.06532	3.0
85.10168	3.7
91.05482	19.9
93.07047	31.7
95.04964	3.3
95.08607	48.9
96.49413	1.4
97.06514	4.7
97.10163	5.6
98.06040	5.4
98.23051	1.6
98.98468	13.6
99.08104	23.8
105.07026	14.1
107.08598	20.2
109.10172	12.6
111.08121	2.6
112.07599	1.5
113.09626	3.0
117.07015	5.3
119.08601	9.8
121.10141	9.6
123.11722	7.3
124.01599	2.6
131.08606	8.0
133.10149	7.1
134.63005	1.3
135.11665	11.8
137.09602	1.4
137.13271	5.1
142.02599	3.4
145.10141	6.1
147.11693	15.0
149.13280	5.9
151.14780	2.3
153.12689	1.7
159.11676	4.1
161.13197	2.2
163.11229	2.1
163.14828	7.0
165.12764	3.4
167.14392	2.1
173.13243	3.4
177.16389	2.2
179.14328	2.2
179.72606	1.6
181.15868	1.7
187.14795	2.7
212.13727	1.5
216.06372	2.5
233.22740	3.0
243.21046	8.9
253.17982	10.7
261.22159	11.3
279.23187	21.2
299.32709	1.4
304.26306	9.3
313.02460	1.4
322.27463	26.8
335.25797	81.2
353.26868	100.0
402.23865	4.1
433.23499	3.3
476.27634	7.7
494.28601	10.9
494.40564	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	494.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.4
55.05512	10.5
57.03436	4.5
67.05511	25.2
69.07084	5.5
70.51180	2.7
70.69298	6.9
71.08628	10.8
72.15833	3.0
74.03652	2.8
77.61994	2.6
79.05492	10.6
81.03400	6.9
81.07063	28.8
83.08624	6.8
91.05486	7.4
93.07060	17.6
95.04945	6.2
95.08590	19.8
97.02895	3.2
97.06508	3.7
97.60908	3.2
98.06080	8.4
98.98450	31.8
99.08096	5.4
105.07018	8.7
107.04924	3.6
107.08584	7.4
109.10175	6.2
119.08557	4.4
121.10188	4.3
124.44763	2.8
133.10159	4.1
134.06772	2.9
135.11681	8.4
139.26265	2.9
145.10062	4.5
147.11700	4.0
163.11241	6.2
227.12836	4.4
228.13203	6.6
253.17970	3.5
304.26263	25.6
322.27402	100.0
335.25912	7.1
353.26691	18.4
402.24094	7.0
415.58670	3.5
476.27286	7.2
494.28375	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3242
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05511	3.2
56.05035	1.1
57.03436	0.8
57.07071	1.3
58.06586	1.5
60.08165	18.8
67.05508	1.5
69.07064	3.3
70.03690	1.5
71.07378	6.6
71.08637	0.7
76.25074	0.4
79.05499	0.8
81.07056	1.7
83.08625	3.1
86.09706	54.2
89.86327	0.3
93.07053	0.9
93.28110	0.3
95.08617	1.7
97.10165	1.3
98.98464	4.0
104.10744	100.0
107.08596	0.4
109.10156	0.6
121.10175	0.3
125.00005	31.4
163.01555	0.8
184.07343	97.6
197.02133	0.5
220.07378	0.3
258.11041	0.6
285.35864	0.4
311.25763	2.7
337.27356	5.2
411.35641	0.4
476.24521	0.5
476.31393	11.7
494.32428	38.6
495.32925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.8
56.05028	0.5
57.03431	0.2
57.07061	0.3
58.06349	0.2
58.06622	0.5
59.07385	0.3
60.08164	6.9
67.05499	0.5
69.07073	0.7
70.06569	0.2
70.97127	0.3
70.97452	0.2
71.07371	2.8
72.90137	0.1
75.26772	0.1
75.98116	0.1
79.05492	0.2
81.07049	0.5
83.08606	0.4
84.64578	0.1
86.09706	29.9
91.05482	0.2
91.24000	0.2
93.07034	0.2
95.08622	0.4
97.10162	0.4
98.98467	2.9
99.84237	0.1
104.10743	4.6
109.10255	0.2
117.75301	0.1
121.10095	0.2
125.00005	20.6
137.10977	0.2
140.19930	0.1
166.02736	0.2
170.08424	0.1
184.07338	100.0
266.12601	0.2
289.54065	0.2
311.25851	0.2
312.44791	0.1
337.27362	0.9
476.31448	1.8
489.25128	0.2
494.32431	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	494.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05030	0.6
57.07063	0.1
58.06365	0.2
58.06636	0.5
59.07399	0.1
60.08167	5.9
66.26793	0.1
67.05499	0.5
69.07071	0.3
69.81721	0.1
70.06586	0.2
70.22723	0.5
71.07373	2.6
79.05521	0.3
81.07056	0.4
83.08628	0.5
86.09711	30.3
92.37968	0.1
93.07044	0.3
95.08628	0.4
97.10183	0.2
98.83052	0.1
98.98470	2.6
104.10749	2.7
105.34722	0.1
107.08626	0.2
121.10161	0.4
125.00011	20.3
136.73831	0.1
143.01068	0.2
149.02324	0.6
184.07349	100.0
185.07729	0.4
193.04991	0.6
237.07555	0.7
268.61343	0.1
284.29547	0.5
311.25803	0.3
476.31473	1.2
494.32498	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	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
56.05023	0.4
57.03422	0.3
57.07066	0.4
58.06620	0.6
60.08165	5.1
67.05495	0.4
69.07063	0.5
70.06599	0.7
70.22479	0.5
71.07377	2.8
79.05521	0.2
81.07067	0.4
83.08629	0.3
86.09708	29.1
87.81717	0.1
88.07622	0.6
89.87572	0.1
92.30161	0.1
93.07037	0.2
95.08602	0.2
98.98466	3.2
102.09188	0.6
104.10747	2.5
107.08611	0.2
114.49414	0.1
125.00006	20.6
149.02362	2.0
149.03464	0.2
163.01738	0.1
166.02785	0.2
184.07344	100.0
185.07828	0.3
193.04976	2.3
237.07565	2.1
258.11118	0.2
267.58102	0.1
284.29449	1.9
311.25958	0.3
328.32440	0.2
476.31516	1.5
494.34369	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	494.324
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
50.09821	0.4
53.49457	0.4
55.05514	2.2
56.05030	1.3
57.07072	0.4
58.06602	1.3
59.07395	0.5
60.08168	17.0
67.05502	1.3
69.07073	2.0
71.07381	5.3
71.08637	0.6
79.05487	1.4
81.07056	1.5
83.08612	1.6
86.09711	47.5
91.05437	0.4
93.07045	1.4
95.08622	1.3
97.06530	0.4
97.10159	0.7
98.98471	2.7
104.10749	89.8
107.08619	0.9
109.10085	0.5
111.08057	0.5
121.10143	1.5
125.00011	27.1
135.11722	0.8
149.13268	0.4
153.08617	0.4
158.75620	0.3
163.01581	0.5
171.54880	0.4
181.02612	0.4
184.07352	100.0
223.20607	0.5
229.47656	0.7
247.49109	0.4
258.11023	1.4
311.25845	1.2
315.25452	0.7
323.13034	0.4
476.31454	7.8
494.32443	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62568	0.5
53.03949	1.2
53.86934	0.4
55.05514	1.7
56.84808	0.4
56.96552	0.7
57.03445	0.8
58.96272	0.5
67.05508	2.4
69.03432	2.8
69.07082	1.1
70.03767	0.6
70.06600	1.1
71.05003	1.7
71.52545	0.8
73.02906	0.4
79.05508	3.2
81.03428	4.0
81.07061	3.6
83.04983	1.3
83.08639	0.5
85.02909	6.0
85.06536	0.8
86.09703	0.6
91.05470	3.0
93.07043	4.5
95.04980	1.5
95.08604	3.6
97.02897	3.2
97.06554	2.2
97.10191	0.7
98.97585	2.6
99.04469	2.2
103.03957	4.0
104.04293	1.0
105.07027	2.6
107.04942	2.8
107.08575	4.7
108.08936	0.6
109.02909	2.0
109.06525	4.1
109.10184	2.0
111.08071	0.5
115.05485	0.5
117.07051	1.3
119.08576	2.9
120.08123	0.6
121.02908	1.0
121.06527	2.0
121.10149	2.3
123.04432	0.7
123.08094	2.7
125.09651	1.0
127.03913	5.1
128.04280	1.4
129.06979	0.5
131.08575	2.3
133.10172	1.9
135.08076	2.1
135.11678	2.8
136.12067	1.7
137.06038	0.7
137.09613	0.7
139.11153	0.8
143.08644	0.9
145.02875	0.6
145.04945	3.2
145.10106	2.3
146.05313	0.8
147.08066	0.7
147.11691	1.3
149.09618	0.8
151.03918	6.6
151.05006	0.8
152.04234	3.5
153.12717	2.6
154.13106	2.5
155.08617	0.6
157.10172	0.7
159.11717	1.1
161.09798	0.5
163.03949	1.4
163.06003	2.9
163.07370	0.5
163.11221	0.5
164.06400	1.2
169.05005	0.8
170.05447	0.7
171.11685	0.8
171.13872	1.3
172.14180	0.9
173.13329	1.0
183.11758	0.8
185.11661	0.5
185.13280	0.7
191.14351	1.6
201.12740	0.8
211.14812	0.7
219.13834	2.8
223.98288	0.5
224.03947	0.5
227.17984	0.6
237.02808	0.8
237.14977	0.4
241.19563	0.5
247.13107	2.3
247.17020	1.0
257.19070	1.0
259.15561	2.1
269.19043	1.6
281.18613	0.5
284.15710	0.6
287.20062	4.8
290.09604	0.6
293.17642	1.5
304.22971	0.6
305.21274	2.6
307.12540	1.1
308.10706	0.6
333.20667	2.4
367.22989	0.8
385.24069	0.8
391.17731	0.6
403.25009	1.0
409.15390	1.6
409.18433	4.7
427.17477	0.7
433.18588	0.6
451.19525	21.0
452.19910	0.6
467.16531	1.0
477.28928	0.8
495.18350	100.0
496.18362	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	495.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	1.2
67.05485	1.2
69.03428	2.0
70.06588	1.3
71.51914	0.9
79.05487	3.0
81.05787	1.2
81.07043	2.3
85.02895	2.5
86.09678	1.0
91.05469	1.6
92.05009	1.6
94.06561	3.1
95.08610	1.5
96.08136	7.9
97.02889	1.4
97.06570	1.0
105.06994	0.9
106.06555	1.5
107.08611	1.3
109.06535	1.1
109.10192	1.1
119.08601	0.9
120.08095	1.3
121.10181	0.8
123.08101	0.9
124.07609	6.4
126.09155	12.8
127.03981	0.9
133.10129	1.0
135.11655	1.0
136.07599	1.6
136.82465	0.9
138.05501	3.3
146.06012	1.5
148.03944	3.4
149.09673	0.9
152.07068	82.7
162.05505	25.8
163.11064	0.8
164.07115	1.6
166.05005	51.6
180.04968	1.3
180.06557	19.2
182.08130	1.2
190.05008	3.3
194.16109	0.9
208.06059	52.1
211.16934	1.1
245.12817	2.8
259.14310	1.1
269.12823	0.9
273.12292	4.4
287.13867	3.8
287.19891	1.0
305.14938	1.2
305.20740	1.0
315.13306	6.9
333.14453	100.0
335.62360	0.9
473.85492	0.9
495.18268	4.3
495.25180	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2438
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
53.03928	3.8
53.85288	2.6
55.05505	6.2
63.26899	2.5
67.05499	9.9
69.03424	15.1
69.07068	10.3
70.06593	11.4
70.29964	8.0
71.04993	8.4
73.02926	3.9
79.05491	11.7
81.03409	16.8
81.07068	29.4
83.04983	12.8
83.08636	2.9
84.04506	4.9
85.02909	14.6
85.06546	3.9
86.09705	5.2
91.05483	11.6
93.07036	28.6
95.04975	11.1
95.08610	22.4
97.02912	6.3
97.06525	18.2
99.04449	16.2
100.03761	2.6
103.03959	4.3
105.07032	20.6
107.04939	5.4
107.08608	16.4
109.02885	19.9
109.06506	13.6
109.10165	8.2
111.08080	10.5
113.21268	2.9
119.08580	13.6
120.08087	3.3
120.17361	2.5
121.06514	37.4
121.10102	5.3
123.04453	4.5
123.08080	3.4
123.11715	5.6
125.06014	11.9
127.03935	24.7
127.07525	4.1
131.08582	4.0
131.86633	2.4
132.53079	2.3
133.06450	3.4
133.10153	15.6
134.10397	2.6
135.04411	2.6
135.08066	11.7
136.06184	2.8
139.07547	12.1
143.07053	11.4
143.08591	6.2
145.05058	2.6
145.10133	5.2
147.08043	5.8
147.11716	30.3
149.09644	3.3
149.13312	3.5
151.11215	4.5
157.08727	5.9
157.10156	6.9
159.06532	5.9
159.11703	3.1
161.13289	5.8
165.12752	8.7
169.09834	11.8
169.12254	9.5
171.11740	9.1
173.13258	2.6
175.11197	22.8
187.05980	4.0
189.12775	11.6
193.12263	22.1
199.11267	15.9
207.13884	8.6
210.08502	4.0
211.13264	22.0
217.12233	44.7
223.06087	3.9
224.06599	3.5
229.14374	8.6
235.13313	59.3
253.14326	67.4
253.16840	3.9
262.97546	3.0
271.15466	11.0
273.18637	3.1
287.20154	3.0
289.05334	4.8
289.16415	4.6
333.20609	4.1
359.20322	2.6
361.16522	6.2
379.17438	5.8
397.18570	12.3
409.18393	5.8
415.19467	3.2
451.19348	11.5
477.17252	4.7
495.18375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	13.2
55.01863	10.5
55.05515	28.3
57.03442	39.4
57.07080	5.9
58.25280	3.4
61.02930	59.7
61.10325	3.4
62.52020	3.9
64.89231	4.2
65.03944	5.7
67.05181	4.8
67.05511	59.3
69.03435	43.4
69.07065	16.9
69.20348	3.6
69.94960	16.4
71.01353	6.5
71.05006	10.1
73.02918	43.5
79.05499	72.2
79.68478	3.6
81.03429	32.9
81.07058	67.5
83.04981	10.8
83.08636	9.5
85.02914	67.0
87.04491	4.6
91.03962	33.3
91.04980	5.7
91.05488	74.5
93.07044	75.6
95.04955	17.4
95.08610	52.5
97.02895	52.7
97.06551	7.9
97.10170	9.9
99.04465	13.6
101.02368	10.1
103.03944	15.0
103.05480	3.7
105.07034	77.8
107.04967	10.4
107.08583	44.0
109.02888	6.0
109.06510	10.9
109.10155	16.3
111.04465	8.9
111.08090	7.0
115.03909	5.3
117.07011	35.4
119.08587	65.6
121.06519	7.4
121.10154	34.4
123.08044	8.7
125.09669	4.0
127.03929	20.0
128.06226	6.9
129.05515	4.6
129.06970	22.7
130.07785	3.6
131.04922	4.0
131.08578	51.8
132.92969	3.4
133.06430	7.3
133.10133	49.1
135.08029	5.2
135.11681	26.8
141.06992	9.1
142.07809	6.1
143.08569	30.8
145.04996	8.0
145.06451	11.2
145.10133	52.9
147.08046	6.1
147.11705	29.2
149.09543	7.3
149.13258	21.6
153.07022	4.0
155.08521	14.8
157.10120	22.2
159.08092	8.1
159.11684	30.3
161.13297	20.9
167.08598	5.6
169.10146	15.1
171.08066	9.4
171.11713	26.1
173.09624	6.8
173.13280	19.0
175.11156	4.8
175.14778	12.8
181.10155	9.7
183.06584	6.2
183.11690	14.6
185.13280	17.5
187.11099	4.4
187.14906	5.3
195.11681	5.1
197.13313	9.4
199.11165	5.5
199.14806	10.0
201.12894	4.2
203.14349	4.2
209.13290	11.0
211.11226	4.8
213.16299	4.7
221.13319	5.1
225.12778	4.8
231.21028	5.3
241.19576	17.0
257.19165	7.9
259.20566	33.7
271.20627	8.2
273.22220	4.6
275.20361	5.5
277.21674	7.1
283.20596	5.5
289.21756	6.8
295.43307	3.9
297.22058	3.8
299.20053	6.1
301.21631	10.7
301.38019	3.8
313.21576	12.1
315.23166	14.3
325.21582	9.8
331.22672	4.9
333.24237	69.5
337.21976	3.9
339.23312	9.9
343.22672	7.1
345.24353	6.5
349.21515	6.0
355.23160	4.4
357.24344	6.9
361.23480	8.7
363.25357	7.1
367.22678	23.9
375.25339	19.8
385.23602	13.8
387.25385	8.4
391.24661	4.5
403.24747	12.6
405.26279	6.2
417.26489	14.7
421.25586	5.8
429.26236	12.8
441.26431	43.5
459.27481	38.0
477.28491	47.4
495.29562	100.0
505.69888	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	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01615	1.1
51.66839	1.1
53.03181	1.0
53.03943	4.0
55.05513	22.8
57.03438	15.1
57.07076	1.0
63.07526	1.0
65.03947	1.7
67.05507	38.6
67.49052	1.0
69.03432	6.5
69.07071	11.7
69.25934	9.7
71.04991	9.0
71.67795	1.0
77.03974	1.3
79.05154	0.8
79.05495	41.0
81.03421	81.5
81.07059	39.4
81.07535	2.0
83.04977	19.0
83.08620	28.7
85.02907	40.3
85.06545	2.5
91.05485	51.3
93.07050	29.4
95.04968	38.3
95.05564	1.8
95.08614	19.3
97.02912	3.3
97.06527	6.4
97.10177	7.9
98.21561	2.3
99.08110	2.4
103.05521	1.1
105.07034	38.6
107.04954	8.7
107.08601	11.8
109.06544	6.7
109.10175	5.3
111.04469	3.5
111.08078	14.4
113.06047	3.5
115.05483	1.8
117.07043	4.3
119.04967	1.7
119.08583	28.0
121.06514	3.0
121.10143	11.6
123.08093	4.7
123.11730	3.7
125.09660	3.4
129.07004	18.3
129.07906	1.1
131.08571	18.9
133.06546	4.0
133.10149	14.1
135.08078	1.7
135.11674	2.2
136.04695	1.0
137.09641	1.5
139.76561	1.0
142.07796	3.7
143.08641	1.6
145.06514	1.3
145.10190	3.8
147.08086	5.1
147.11687	20.2
149.09631	9.2
149.13298	1.8
151.11226	1.2
155.08606	1.1
157.10138	19.6
157.11301	1.3
159.11694	1.7
163.11252	2.1
165.12791	4.9
167.08513	1.1
171.11757	2.2
173.09676	1.3
175.11191	21.8
175.12569	1.5
179.21687	1.1
189.11203	1.4
193.12254	68.8
193.96645	1.1
205.12048	1.0
211.13297	94.7
227.12701	2.6
267.15915	17.4
269.24744	1.2
285.17007	7.0
359.22528	1.5
367.22592	2.2
385.23862	4.0
403.24805	2.2
451.27170	1.1
459.27426	7.4
477.28717	14.2
495.29785	100.0
496.30310	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.5
55.05268	2.0
55.05513	25.4
57.03439	14.7
58.57312	1.1
65.03934	2.3
67.05508	38.4
69.03443	8.7
69.07069	10.3
71.04998	10.1
73.02906	1.2
79.05499	42.2
81.03423	89.5
81.06590	2.5
81.07061	45.5
83.04984	18.9
83.08620	31.3
85.02911	41.4
85.06533	2.9
87.04500	1.3
91.05487	49.3
93.07050	27.3
95.04974	36.6
95.08616	17.6
97.02876	4.9
97.06534	9.3
97.10176	9.6
99.04520	1.3
99.08094	1.6
105.07041	34.9
107.04962	10.5
107.08585	13.6
109.06519	10.6
109.10128	7.7
110.51257	1.2
111.04441	5.2
111.08085	13.5
113.05999	3.4
115.05462	3.7
117.07026	3.7
119.04935	2.1
119.08592	27.0
121.06531	3.9
121.10155	14.8
123.08076	4.7
123.11721	3.8
125.06024	1.5
125.09638	3.4
127.03972	1.3
128.06297	1.6
129.07021	15.2
131.08575	14.7
133.06519	3.8
133.10138	15.7
135.04358	1.4
135.08086	1.7
135.11714	3.5
137.09663	3.8
137.13258	1.3
142.07774	5.3
145.06465	1.5
145.10161	4.0
147.08026	4.9
147.11687	18.8
149.09657	8.4
149.13261	2.4
157.10136	18.2
159.11728	1.3
163.11148	2.6
165.12787	3.9
173.13478	1.2
175.11198	18.1
180.18468	1.3
185.04675	1.1
189.11150	1.5
193.12262	67.9
211.13297	93.5
211.69238	1.4
219.13611	1.2
227.12779	2.9
249.15242	1.6
260.78543	1.1
267.15924	13.5
285.17108	4.8
349.21838	2.1
359.22037	1.3
367.22647	2.5
385.23828	4.9
403.24756	2.5
451.26862	1.7
459.27597	8.6
477.28445	12.0
495.29565	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	8.9
57.07075	23.6
58.70895	2.4
67.05503	9.4
69.07072	21.1
69.38696	15.7
71.08636	18.2
81.07053	15.5
83.08630	13.2
85.10178	10.6
93.07081	3.9
95.08599	9.3
97.10181	9.2
105.07038	4.6
107.08550	4.5
109.06517	8.9
109.10175	6.2
111.08049	3.7
119.08603	3.4
121.10126	4.5
123.08065	9.0
123.11691	5.0
123.30283	2.4
125.05991	8.8
127.07553	20.2
133.10225	2.9
137.09622	4.0
139.07542	72.4
151.07555	7.1
177.09157	8.0
260.33594	2.6
301.29324	2.9
319.29980	3.5
347.32990	6.4
417.37238	7.0
427.36334	3.2
445.36728	27.7
477.39404	100.0
495.32559	5.3
495.40427	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	496.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60788	0.7
55.01859	1.1
57.03438	1.7
61.02923	2.7
65.03943	1.0
69.03436	5.6
69.82759	3.6
81.03390	1.4
85.02910	27.4
91.03954	1.7
91.05484	13.9
97.02881	7.5
99.04423	1.1
109.02872	1.9
109.06524	1.0
118.80534	0.9
119.04955	9.5
127.03920	6.0
136.06172	0.8
137.05983	100.0
144.29366	0.8
145.04970	9.7
149.05954	0.9
151.07520	2.2
155.07045	13.7
161.06117	1.3
163.04030	0.9
163.06027	3.6
165.05460	0.8
175.07539	0.7
179.07005	3.9
195.06465	1.2
203.07027	2.2
217.08562	1.3
221.08063	3.9
245.08116	1.5
251.09250	1.2
263.09113	5.0
281.10242	2.6
299.11322	0.9
317.12369	1.3
496.14984	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	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72278	0.1
55.38570	0.1
56.05038	0.5
57.03439	0.2
57.07076	0.6
58.06364	0.2
58.06642	0.4
60.08167	5.8
66.63547	0.1
67.05504	0.2
69.07064	0.2
69.35993	0.2
69.36387	0.9
71.07375	2.5
71.08634	0.4
74.66457	0.1
85.10194	0.3
86.09709	27.9
88.72396	0.1
89.11069	0.1
95.08611	0.3
98.98464	2.6
104.10750	2.7
109.10222	0.1
125.00011	19.8
166.02583	0.1
184.07347	100.0
185.07654	0.3
247.23744	0.1
271.92917	0.2
313.27231	0.3
338.20834	0.1
415.99469	0.1
432.53091	0.1
478.32874	1.2
496.33954	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	496.3398
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
51.13600	0.4
55.05521	0.6
56.05027	1.5
57.07080	3.5
58.06607	1.4
60.08165	18.5
60.64206	0.5
63.37036	0.4
64.41483	0.4
67.05505	0.9
69.07054	0.7
69.76408	0.8
69.76714	2.3
71.07378	6.0
71.08628	2.6
81.07057	0.6
83.08606	0.7
85.10186	1.0
86.09708	56.5
95.08585	1.0
98.98473	4.0
104.10747	100.0
123.02761	0.5
125.00008	34.4
163.01630	0.8
171.99977	0.4
184.07349	91.7
214.76076	0.4
258.11063	1.2
313.27438	1.6
320.97006	0.5
327.76248	0.4
419.25620	0.6
436.02115	0.5
443.08286	0.5
445.66141	0.4
474.34851	0.5
478.32974	9.5
496.33997	42.7
497.34097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01863	1.1
65.03938	4.2
67.05502	2.9
69.03421	3.0
69.07070	1.0
69.55136	1.7
69.55547	1.0
70.06570	1.4
71.04972	0.8
79.05482	1.1
81.03416	3.7
81.07030	1.4
82.04191	1.6
83.04986	0.5
83.08611	0.6
85.02911	6.7
86.09673	0.9
91.05471	1.6
93.03408	0.9
93.07000	0.7
95.04944	2.0
95.08605	0.7
97.02876	1.8
97.06506	1.8
99.04439	1.0
103.03925	0.9
103.05427	0.6
105.07001	1.4
107.04963	0.7
107.08562	0.8
108.02094	0.8
109.02856	1.9
109.06500	0.6
109.10149	1.0
109.10811	0.6
110.03644	1.7
111.04443	1.5
115.05379	0.6
119.04948	0.7
119.08472	0.6
121.06465	0.9
121.10133	1.2
123.00764	0.7
123.04412	1.3
123.11779	0.6
125.05984	1.7
127.03903	1.6
128.06201	0.6
129.06998	1.0
131.04852	0.6
131.08618	0.5
133.10095	0.5
136.06171	3.8
137.05957	1.8
138.03117	1.1
140.04707	4.2
142.02602	2.0
145.06464	0.6
147.04395	1.7
149.05937	0.8
149.09587	0.9
151.03912	9.9
151.05084	0.4
151.07541	1.2
153.05507	1.7
155.06989	1.5
157.06488	0.7
161.05983	1.4
163.03943	1.0
165.05528	2.3
167.07011	1.3
169.09694	0.7
171.06563	2.7
171.07861	0.7
175.07558	0.6
179.07027	1.6
181.04958	100.0
189.05450	0.9
189.09169	0.9
191.06955	1.0
191.14316	0.9
195.06493	1.1
199.06059	2.4
203.07031	2.0
205.08556	0.7
215.07133	0.5
217.08649	1.4
219.06491	0.8
221.08147	1.5
226.73900	0.5
227.06958	1.0
233.08141	1.2
245.08228	4.1
263.09167	3.8
271.04340	1.0
275.09155	1.4
275.20163	0.6
281.10172	0.6
283.08148	1.4
289.05307	1.9
293.10339	0.7
299.14935	1.4
300.15277	3.0
309.15311	0.6
325.09152	1.9
335.22281	0.7
341.10352	0.5
343.10236	2.2
411.19702	1.5
453.20950	4.4
497.14395	1.1
497.19958	28.7
497.26059	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05280	1.2
55.05520	19.0
57.03448	6.5
57.06841	1.4
57.07082	17.4
67.05500	4.1
69.07075	23.2
71.08629	6.3
71.13905	2.3
79.05495	3.2
81.07069	6.4
81.52606	1.4
83.08162	1.7
83.08619	19.4
85.10177	4.5
87.04472	1.7
89.06059	1.7
93.07040	2.4
95.08587	5.5
97.06524	1.5
97.10181	13.4
98.98466	9.9
107.08576	3.3
111.11716	2.7
121.10188	3.4
133.08617	2.2
135.11702	2.7
155.01001	4.8
200.80818	1.5
229.04758	1.4
251.23921	1.6
323.48297	1.5
325.27386	100.0
326.27698	2.2
359.53262	1.4
385.19907	1.6
411.25256	3.8
461.26672	5.1
465.64319	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96152	3.2
53.03947	9.8
55.01869	9.9
55.05518	27.3
57.03439	37.9
57.07070	7.2
61.02926	72.9
64.92957	3.1
65.03938	7.9
67.05502	97.0
69.03427	37.9
69.07070	22.1
69.25652	28.0
71.01360	9.3
71.05006	7.7
71.08614	5.5
73.02923	40.1
79.05494	63.3
81.03416	31.3
81.07053	92.1
83.04986	9.1
83.08619	13.3
85.02907	71.4
85.03381	5.6
85.06555	3.5
87.04462	3.9
91.03957	49.8
91.05488	47.3
93.07046	92.2
93.35596	3.0
95.04983	11.9
95.08608	72.3
95.09180	6.3
97.02895	58.5
97.06548	9.3
97.10157	8.5
98.20639	2.8
98.21206	13.9
99.04450	11.4
99.08115	4.4
101.02381	14.1
103.03944	7.6
105.07035	56.6
107.04967	3.7
107.08597	45.5
109.02856	7.4
109.06523	5.9
109.10154	36.5
111.08066	3.4
115.03934	7.8
115.30004	2.9
117.05456	3.5
117.07030	23.7
119.08577	35.3
121.06477	4.9
121.10159	31.1
123.11688	17.3
123.93265	3.3
125.09640	4.1
127.03886	14.9
129.05495	10.3
129.06970	15.2
131.08569	43.3
133.06512	4.5
133.10106	23.8
135.08075	3.3
135.11707	22.3
137.09625	3.8
137.13272	8.1
143.08600	12.2
145.05000	8.2
145.06508	7.9
145.10144	25.3
147.08032	5.2
147.11693	23.2
149.13283	17.1
155.08580	7.0
157.10127	9.9
159.08017	4.8
159.11734	19.9
161.13310	15.4
163.11159	6.1
163.14832	9.3
167.08578	4.3
169.10133	5.8
171.08093	3.7
171.11723	8.6
173.11957	3.0
173.13222	15.5
175.11188	6.1
175.14859	9.3
177.16490	3.3
179.14365	4.1
185.09549	3.8
185.13274	10.4
187.11208	5.0
187.14833	11.6
189.12808	5.7
189.16475	2.9
191.14401	3.4
192.79594	2.9
195.11723	3.1
197.13173	3.7
199.11200	4.8
199.14893	6.6
201.09227	3.8
201.12624	3.1
201.16365	3.9
205.15915	4.4
211.14819	3.7
233.22479	4.1
241.19629	3.5
243.21118	17.2
259.20551	5.2
261.22073	29.2
265.17728	3.1
273.22144	4.8
275.20013	3.7
275.23660	5.1
277.21658	4.4
279.23236	4.7
285.22089	7.4
301.21530	5.0
303.23172	16.9
315.23309	9.4
317.24823	9.0
327.23260	11.1
333.24500	5.0
335.25793	63.6
341.24881	7.7
345.24228	5.6
351.23370	11.7
357.24350	3.6
359.25647	4.3
363.25491	5.6
365.26907	7.1
369.24210	22.4
377.26874	13.1
387.25259	7.0
389.26978	7.7
405.26605	9.2
419.27960	15.6
425.27112	5.9
431.27960	11.6
443.27884	50.8
461.28879	29.2
479.29965	32.4
497.19275	5.2
497.31125	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.7
57.07083	35.6
59.04998	0.9
69.07069	1.8
71.08639	26.1
71.53530	1.2
73.06569	6.3
83.08628	2.8
85.10191	23.0
87.04469	3.9
88.07643	1.0
88.24872	0.8
89.06042	100.0
91.07622	1.0
97.10182	3.2
99.11755	4.6
107.07082	1.9
113.13283	1.8
117.09151	4.0
130.08665	3.2
131.07056	1.0
133.08618	53.7
139.08667	0.8
155.17963	4.4
161.11758	1.5
177.11241	20.4
177.12701	1.3
195.12323	1.1
199.20563	4.1
221.13829	4.7
239.15004	2.3
240.23360	1.2
243.23215	11.3
243.64119	0.7
265.16382	0.9
278.02252	0.9
283.17474	3.4
287.25858	8.6
324.85226	0.8
327.20187	13.8
373.70547	0.8
393.32324	1.0
481.37427	26.5
498.40802	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2154
Annotation	Brianodin D
Peak:m/z	Relative Intensity
53.03938	1.1
55.01863	0.7
55.05513	2.3
59.19104	0.5
63.17739	0.5
67.05502	1.7
67.17467	0.4
67.58068	0.4
69.03423	1.8
69.07077	3.2
69.39828	1.0
69.40234	2.4
71.04980	0.9
76.66666	0.4
79.05482	1.6
81.03423	2.0
81.07050	4.4
83.05008	1.1
83.08583	0.5
85.02895	1.8
90.97316	0.4
91.05497	1.2
93.07041	3.2
95.04992	1.2
95.08617	4.0
97.02882	0.9
97.06538	2.0
97.10167	1.9
99.04456	1.0
105.07063	2.6
107.08583	4.2
109.02888	1.2
109.06508	0.6
109.10166	2.0
110.23467	0.4
111.08062	0.6
111.11761	0.5
117.07006	0.5
119.04975	0.4
119.08611	2.1
121.06539	0.6
121.10146	2.4
123.11757	1.1
125.06037	0.6
127.03931	1.3
131.08543	0.8
133.06424	0.8
133.10133	1.8
135.08063	0.9
135.11700	1.5
137.09615	0.9
139.11180	1.5
143.08578	0.8
143.10561	0.5
145.10149	2.2
147.11725	1.2
149.09619	1.2
151.11182	0.9
157.10132	0.9
157.12268	0.9
159.11708	1.1
161.09563	0.7
163.04001	0.6
163.11229	0.5
171.11781	0.6
173.13409	0.5
175.11246	1.0
175.14865	0.5
177.12807	0.5
177.75533	0.4
181.70850	0.5
183.11659	0.5
185.04332	0.5
189.12904	0.5
191.14453	0.6
193.12080	0.6
203.05312	1.0
215.07092	0.5
227.36888	0.5
232.41005	0.5
233.15440	0.9
242.18373	0.4
251.16580	0.5
259.09698	0.8
271.20584	0.6
285.09528	3.6
287.07385	3.3
289.09335	0.7
301.21637	0.9
302.28006	0.4
319.22653	3.4
329.08582	0.9
337.23743	9.5
347.09491	8.4
355.17349	3.9
397.17725	1.0
437.21494	7.5
439.19394	4.6
445.26025	0.5
463.27008	0.7
481.20810	1.0
481.27841	1.6
499.21527	100.0
500.21988	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2904
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
53.03937	0.7
55.01882	0.6
55.05495	2.6
57.03424	1.3
61.02917	1.3
67.05503	4.5
69.03429	4.4
69.07078	3.9
71.04998	0.9
71.52280	0.9
72.08137	0.6
73.02904	0.6
79.05501	5.0
81.03413	3.6
81.07059	14.6
81.77016	0.6
83.04967	1.1
83.08604	0.9
85.02907	9.3
85.06560	0.8
86.09683	0.9
91.03969	0.5
91.05473	4.4
93.06493	0.8
93.07050	10.2
95.04960	1.6
95.08611	10.0
97.02893	3.8
97.06532	2.4
97.10181	0.8
98.97585	1.6
99.04445	1.1
99.08089	1.0
103.57614	0.6
105.07029	7.3
107.08604	8.6
109.02878	1.8
109.06526	1.0
109.10167	5.5
111.08064	2.2
117.07017	1.7
119.08595	4.4
121.06506	2.2
121.10152	8.7
123.08056	1.6
123.11703	1.7
125.09615	1.2
127.03913	3.5
129.07062	1.2
131.08549	3.4
133.10143	4.1
133.10970	0.6
135.08073	1.1
135.11678	2.2
136.06602	0.6
137.05997	0.9
137.09615	1.9
139.11186	4.6
143.08606	1.4
145.04970	1.7
145.06512	1.0
145.10129	5.1
147.08067	1.7
147.11684	7.4
147.14996	0.6
149.09566	2.8
149.13281	1.8
151.11171	1.7
153.09140	0.6
155.08557	1.6
156.09312	0.6
157.10115	3.5
157.12245	0.6
159.08104	0.9
159.11699	4.9
161.09651	2.7
161.13228	3.0
163.03886	1.3
163.06056	1.1
163.11163	3.4
165.09146	1.2
165.12753	0.9
167.08517	0.6
169.10146	2.4
171.11658	3.6
173.09599	0.9
173.13223	3.0
173.78052	0.6
175.11270	1.2
175.14784	1.1
177.12767	1.4
179.10696	1.1
179.91011	0.6
181.09950	0.8
181.12297	1.0
183.11684	2.0
184.12624	0.7
185.13313	2.8
187.11203	1.2
187.14876	1.7
189.12764	1.9
195.11665	0.8
197.13292	3.8
199.14841	2.4
201.12854	1.0
201.16397	0.9
203.14290	1.0
209.13316	1.3
211.14842	1.9
213.12793	0.9
213.16386	3.8
215.14427	1.5
218.83478	0.7
219.13820	1.2
223.14970	0.9
225.16399	2.1
227.17915	2.5
227.32921	0.6
228.96594	0.6
229.19502	1.1
233.11716	0.8
233.15381	1.6
237.16443	0.7
239.18025	1.1
241.19548	2.5
243.17470	1.0
243.21074	0.9
251.16557	0.6
253.19501	5.5
259.09592	0.8
259.20471	3.4
265.19495	1.2
271.20563	13.7
275.20212	0.7
277.21667	5.2
283.20624	4.0
289.21609	16.6
301.21597	6.3
319.22681	15.2
337.23743	100.0
413.18472	2.1
455.19476	1.7
456.57959	0.7
499.21060	5.3
499.28424	1.2
500.95715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
55.05430	1.4
55.05672	0.6
57.03385	0.4
57.37781	0.4
58.75167	0.4
61.02859	0.8
67.05412	3.1
69.03333	1.9
69.06970	2.0
70.06531	0.7
71.52819	0.6
71.53223	0.4
73.02830	0.5
79.05382	3.6
81.03314	1.9
81.06955	5.0
81.07470	1.0
82.25457	0.4
83.04910	0.9
83.08548	0.8
85.02800	4.6
85.06477	0.8
91.05369	2.5
93.06939	6.7
95.04896	1.2
95.08499	6.0
97.02798	1.9
97.06425	1.9
97.10137	0.6
99.04366	1.0
99.08019	0.6
105.07036	5.4
107.04874	0.6
107.08598	7.4
109.02798	1.0
109.06445	1.0
109.10158	3.5
111.07951	1.3
117.06911	1.3
119.08592	5.2
121.06388	1.7
121.10155	6.8
123.07972	1.6
123.11600	1.3
125.09576	1.3
127.03801	2.0
129.06885	0.7
131.08466	1.9
133.06387	0.9
133.10135	3.7
135.08080	3.8
135.11601	1.6
137.09543	1.9
139.11098	1.2
141.08968	0.8
142.07596	0.5
143.08562	2.1
145.04884	1.1
145.10117	5.1
147.07916	1.3
147.11559	2.0
149.09602	3.6
149.13203	0.4
151.11066	1.3
153.12582	0.6
155.08379	0.8
157.10147	2.3
158.88158	0.4
159.08022	1.1
159.11710	3.8
161.09654	2.9
161.13217	2.3
163.03842	1.0
163.11070	1.3
167.08418	0.5
169.10040	1.1
171.11659	2.5
173.09511	1.7
173.13319	2.2
175.11060	2.0
175.14742	1.1
177.08943	0.5
177.12685	1.5
179.08418	0.5
179.10574	0.6
181.10034	0.6
183.11603	1.5
185.13248	2.2
187.11090	1.7
187.14677	1.4
189.12653	1.6
191.14182	0.8
193.12132	1.4
195.11710	0.9
197.13254	2.2
199.14680	1.8
201.12654	1.5
201.16161	0.7
203.14204	1.6
205.12166	1.3
205.15689	0.4
208.12361	0.6
209.13208	0.9
211.14828	1.3
213.12712	1.0
213.16304	1.3
215.10634	1.1
215.14270	2.7
215.17812	0.9
217.15613	0.6
219.13719	2.0
223.14749	0.9
225.16350	2.6
227.14209	1.6
229.19482	1.1
233.11786	0.6
233.15292	1.5
239.17848	1.0
241.16006	0.9
241.19307	1.5
243.17444	0.9
243.21034	0.6
251.16011	0.7
253.19489	1.5
255.20981	1.4
257.19049	1.4
259.09882	0.6
259.16818	0.5
259.20560	0.6
265.19449	1.8
271.20529	2.2
273.18600	0.6
273.22025	1.6
275.20053	0.7
277.21548	0.6
283.20599	5.8
289.21671	4.9
301.21631	7.8
319.22693	21.1
337.23746	100.0
338.24069	0.6
347.09512	1.1
384.72812	0.5
437.21631	0.6
439.76071	0.4
455.22693	0.7
481.20639	7.0
481.27695	0.8
499.21671	16.8
499.28076	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
51.13814	0.3
52.18261	0.3
53.03944	0.5
55.01870	0.4
55.05518	1.3
57.03433	0.4
58.68260	0.2
59.05011	0.3
61.02918	1.0
67.05507	2.7
69.03433	2.1
69.07069	1.2
70.21290	0.2
70.84374	0.4
70.84717	0.6
71.04983	0.4
73.02926	0.3
79.05492	2.6
81.03410	1.0
81.06593	0.4
81.07060	6.4
83.04957	0.6
83.08617	1.2
85.02913	5.3
85.06564	0.3
91.05473	2.0
93.07056	5.3
95.04995	0.5
95.08614	6.7
97.02890	2.0
97.06509	0.7
97.10175	0.8
99.04526	0.4
99.08086	0.7
99.24320	0.3
105.07042	4.2
107.08604	6.4
109.02866	0.5
109.06535	0.5
109.10172	3.9
111.08049	0.6
117.07005	0.8
119.04969	0.4
119.08584	3.5
121.06484	0.5
121.10152	4.6
123.08115	1.5
123.11716	0.5
125.09612	0.7
127.03928	1.0
129.06975	0.5
130.64525	0.3
131.08571	2.5
133.06412	0.3
133.10149	2.7
135.08060	1.7
135.11691	2.3
137.09630	1.0
139.11185	1.1
141.09100	0.3
143.08568	1.6
144.09338	0.3
145.04950	0.8
145.10130	3.1
147.08043	1.0
147.11702	3.7
149.09612	1.2
149.13240	0.8
151.11208	0.6
155.08537	0.8
155.10614	0.3
157.10126	2.3
159.08083	0.7
159.11697	3.5
161.09627	3.8
161.13252	2.9
163.11163	1.0
165.09204	0.3
165.12724	0.3
167.10664	0.3
168.09328	0.3
169.10112	1.5
171.11717	1.8
173.09615	0.3
173.13252	2.4
175.11182	1.6
175.14851	0.6
177.12814	0.9
179.10730	0.6
181.10118	0.5
183.11639	2.3
185.09709	0.6
185.13289	1.9
187.11179	0.7
187.14854	1.0
189.12726	2.5
191.14342	0.7
193.12326	1.8
195.11691	0.9
195.13731	0.5
197.13271	2.5
199.11192	0.4
199.14894	1.4
201.12675	1.2
201.16428	0.6
203.14383	0.9
205.12189	0.3
205.79585	0.3
207.13762	0.3
209.13214	0.7
211.14854	1.4
213.12735	0.8
213.16386	3.0
215.14378	1.2
215.17859	0.4
216.66272	0.3
217.15846	0.6
219.13843	2.4
223.14853	1.1
225.16397	1.2
227.14310	0.7
227.17967	2.1
229.15897	0.8
229.19594	0.7
231.17488	0.5
233.15422	0.6
237.16409	0.3
239.18033	1.1
241.15947	0.7
241.19537	1.8
243.17482	1.5
243.21164	0.8
245.15385	0.4
245.19115	0.5
252.18587	0.5
253.19505	3.8
255.17458	0.4
255.21062	0.5
257.19141	0.5
259.16962	0.5
259.20596	1.1
265.19522	0.8
271.20590	5.7
273.18652	0.3
273.22311	0.3
275.19849	0.7
283.20590	2.3
289.21652	6.0
301.21591	5.2
319.22690	16.7
320.22763	0.3
337.23740	100.0
338.24118	1.2
499.22012	0.4
499.28973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
50.09462	0.9
53.03936	1.2
55.01862	1.1
55.05508	2.2
57.03428	1.1
67.05495	4.0
67.45583	1.0
69.03419	2.6
69.07057	3.1
70.15298	1.6
70.15676	1.6
73.83947	0.9
79.05499	4.1
81.03414	2.7
81.07065	6.6
83.04977	1.3
83.08611	2.2
85.02912	7.3
86.09691	1.1
87.91426	0.8
91.05506	3.2
93.07052	5.6
95.08618	7.1
97.02889	1.6
97.06540	3.1
97.10214	1.1
105.07029	5.2
107.08592	9.5
109.02906	1.5
109.06548	1.6
109.10174	3.0
111.04502	1.1
111.08046	1.3
113.19158	0.9
117.07048	1.9
119.08581	6.8
120.08154	1.9
121.10162	7.7
123.08086	1.8
123.11712	2.2
123.48260	0.9
127.03938	2.0
129.07036	1.3
131.08575	2.7
133.10143	3.3
135.08037	1.5
135.11667	2.5
137.09636	1.5
138.78035	1.0
139.11249	1.2
143.08504	1.8
145.04987	1.4
145.10088	4.8
147.11688	3.0
149.09650	2.3
157.10095	3.2
159.11725	3.7
161.09615	3.5
161.13260	3.0
163.03867	0.9
169.10107	1.8
171.11775	2.0
173.13264	2.8
175.11227	2.2
177.12810	1.0
181.10283	0.8
183.11769	2.5
185.13306	2.8
187.11191	1.7
189.12811	3.0
193.12251	2.7
195.11665	1.3
197.13237	2.7
199.14857	1.7
201.12737	2.5
203.14326	1.7
209.13339	1.3
213.12889	1.6
213.16367	1.3
219.13832	3.3
223.14836	1.4
225.16365	2.5
227.14368	2.7
229.19501	2.1
241.15942	1.5
243.17601	1.9
245.15358	2.7
251.16324	1.4
255.21104	1.2
265.19452	1.9
271.20511	2.6
283.15372	1.6
283.20633	4.3
284.15735	2.6
289.21698	7.6
301.21603	10.5
319.19177	1.8
319.22699	19.0
337.23743	100.0
338.24194	1.9
499.20496	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	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
52.61356	1.0
55.05510	2.6
56.12062	0.9
57.03430	1.1
60.13943	0.9
61.02939	1.2
67.05499	3.7
69.03420	2.6
69.07073	2.3
69.36748	0.9
71.02982	1.8
71.04996	1.1
73.02983	0.9
79.05484	4.0
81.03419	2.6
81.07080	5.2
81.88932	1.0
83.04971	2.2
83.08621	1.7
85.02907	4.9
91.05490	3.4
93.07047	6.7
95.04996	1.7
95.08607	6.6
97.02888	2.0
97.06535	1.5
97.10188	1.9
99.04440	2.1
105.07045	6.0
107.04917	1.1
107.08601	9.5
109.02907	1.2
109.06519	1.1
109.10153	5.0
111.08063	1.3
119.08569	5.5
120.08096	2.8
121.10137	7.2
121.18576	1.0
122.23316	0.9
123.08074	1.5
123.11691	1.2
125.09628	1.8
127.03934	3.1
131.08553	1.8
133.10103	2.9
135.08015	2.1
135.11699	3.2
139.11177	1.7
143.08594	1.9
145.04955	1.2
145.10136	5.8
147.08064	1.1
147.11684	3.6
149.09622	2.1
151.11174	1.4
153.09201	1.2
157.10126	3.2
159.08035	1.5
159.11674	4.9
161.09613	3.5
161.13275	2.8
163.11227	1.6
167.08656	1.0
168.06830	0.9
169.10086	2.3
171.11711	2.1
173.09619	2.0
173.13234	4.1
173.50871	0.9
175.11214	3.6
177.12718	1.3
183.11711	2.0
185.13217	3.4
187.14755	1.2
189.12813	2.7
191.14368	1.2
193.12263	3.2
197.13243	1.2
199.14926	2.0
201.12695	2.3
205.12370	1.0
209.13298	2.3
211.14774	1.7
213.12848	1.3
213.16447	1.0
219.13821	3.9
225.16383	2.6
227.14253	2.2
229.19716	1.5
233.15268	0.9
239.17993	1.5
241.15871	1.0
241.19540	1.4
245.15378	2.5
251.03572	1.0
257.19000	1.4
265.19470	2.5
271.20667	2.2
273.21875	1.1
283.15518	1.8
283.20572	5.8
284.15732	3.3
289.21658	5.4
301.21527	8.8
319.19168	1.5
319.22693	23.0
337.23749	100.0
499.20749	3.7
524.29785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
53.16777	0.6
55.01878	1.1
55.05502	2.4
57.03411	0.8
64.88016	0.6
67.05499	2.7
69.03419	2.2
69.07063	2.1
71.04991	1.0
71.52280	1.1
72.08141	0.7
73.02904	0.9
79.05482	2.6
81.03409	2.2
81.06643	0.8
81.07069	6.8
83.04992	0.9
83.08598	1.4
85.02905	5.0
85.94308	0.6
91.05470	2.9
91.35855	0.6
93.07060	4.2
95.04996	1.2
95.08607	6.7
97.02872	1.4
97.06548	1.6
99.04457	0.7
99.08112	0.7
105.07032	3.9
107.08602	5.8
109.02863	1.2
109.06532	0.8
109.10170	3.1
111.08054	1.1
119.08613	5.1
121.06515	1.7
121.10135	3.3
123.08078	1.8
123.11678	0.8
129.06943	0.7
131.08549	2.8
133.10085	3.4
135.11667	1.4
137.09615	1.2
141.09114	0.9
143.04787	0.6
143.08536	2.2
145.04948	1.2
145.10155	4.5
147.08051	1.5
147.11685	2.4
149.09598	0.7
151.11162	0.8
155.08612	1.4
157.06563	0.8
157.10136	2.0
159.08011	1.0
159.11707	7.0
161.09666	2.0
161.13213	4.0
163.11198	2.3
169.10120	1.8
171.11705	2.2
173.09622	1.8
173.13255	3.6
175.11256	4.3
175.14828	0.8
177.12720	1.4
181.10149	1.5
183.11765	1.7
185.09622	0.9
185.13303	2.2
187.11212	1.2
187.15019	0.7
189.12764	2.6
193.12271	1.3
194.56331	0.7
195.11763	1.2
197.13272	2.4
199.11183	1.4
199.14839	2.5
201.12730	2.3
203.14328	2.7
209.13258	1.7
210.13966	1.1
211.14935	1.0
213.12737	1.7
213.16388	1.5
215.14481	1.0
217.16162	0.8
219.13704	1.1
223.14909	0.9
225.16400	4.5
227.14336	2.7
233.15123	0.7
239.17958	2.3
241.15813	1.5
241.19507	1.6
243.17441	1.2
245.15442	0.7
253.19441	1.0
255.17583	1.2
255.21150	2.0
257.19025	1.3
265.19495	1.9
271.20618	4.7
273.18735	0.7
273.22250	0.7
283.20560	7.5
284.15778	0.9
289.05463	0.7
289.21588	4.9
301.21622	12.5
309.60870	0.6
319.22675	15.5
337.23749	100.0
338.24069	1.3
455.22211	2.7
499.21680	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	499.2905
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
53.03945	6.5
53.74283	0.9
55.01887	3.6
55.05522	3.2
57.03446	7.3
59.05000	1.3
61.02925	12.5
61.73679	1.0
63.03395	1.1
67.05514	7.8
69.03430	33.9
69.07070	6.0
70.06603	1.4
71.05003	4.3
71.52457	1.5
73.02907	4.9
75.87396	0.9
79.05507	12.1
79.90529	0.9
81.03424	17.0
81.07062	25.0
83.01357	1.7
83.04987	2.5
83.08629	2.2
85.02908	100.0
87.04463	5.2
91.03988	3.4
91.05487	9.4
93.07053	16.3
95.05003	2.8
95.08611	20.6
97.02893	30.6
97.06539	8.1
97.10186	1.3
97.65959	1.1
99.04476	7.4
99.08084	6.7
103.03970	1.7
105.07036	24.7
105.07684	1.8
107.04982	2.0
107.08598	27.0
107.09302	1.8
109.02885	14.0
109.06549	3.0
109.10165	14.6
111.08115	2.4
111.11697	1.6
117.07013	5.3
119.08587	17.6
121.06506	13.9
121.10149	15.3
123.08080	9.8
123.11756	4.5
125.09689	1.8
127.03928	23.7
129.07069	2.8
131.08594	15.7
133.06514	1.1
133.10138	11.5
135.08055	7.4
135.11725	9.2
137.09596	5.1
139.11195	1.9
141.06963	1.2
142.07811	1.6
143.08556	8.2
145.04974	17.0
145.10124	20.2
147.08084	5.3
147.11682	9.6
149.09615	10.4
149.13330	3.6
151.11221	2.4
153.09161	3.3
155.08632	3.0
156.09425	1.9
157.10121	10.5
159.11691	12.8
161.09666	5.6
161.13255	8.6
161.14343	0.9
163.06108	1.1
163.11197	4.0
163.14876	2.0
165.12822	1.7
167.10651	8.0
169.10193	4.5
171.11674	11.3
173.09738	1.3
173.13206	7.0
175.11247	4.4
175.14873	4.6
177.12782	3.0
177.16492	2.7
179.10707	1.5
181.10159	2.3
183.11700	6.0
184.07404	2.1
185.13226	8.0
187.14822	5.3
189.12816	2.8
193.05045	4.7
194.11021	1.0
195.11736	2.2
197.13272	7.2
199.14832	5.0
201.12828	2.1
201.16370	7.7
203.14360	2.9
205.15991	1.3
208.12546	1.1
209.13309	2.3
211.14880	2.3
213.16464	5.5
215.14513	1.7
217.16019	1.2
219.17430	7.3
223.14925	3.7
225.16383	5.7
227.14415	2.2
227.17973	1.6
229.19647	1.2
231.17488	1.7
237.16397	2.6
237.18594	12.6
239.18074	4.0
241.15964	2.1
241.19559	6.6
241.42398	1.1
243.17525	3.5
245.15482	1.3
253.19499	9.6
255.17522	1.8
255.21181	3.4
257.19055	3.3
259.20596	9.8
265.19550	7.1
271.20557	20.6
271.23154	1.4
273.22339	1.9
275.20322	1.1
277.21725	1.2
279.19650	2.3
283.20554	23.5
289.21671	11.3
301.21622	20.0
307.22659	12.0
319.22693	30.8
337.23752	90.3
338.24301	1.3
456.36792	1.2
459.69586	1.1
481.20844	1.5
499.21252	4.9
499.29120	7.6
499.35806	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2902
Annotation	Pierisformoside A
Peak:m/z	Relative Intensity
52.33961	1.3
53.03933	4.9
53.96736	1.3
55.01869	3.7
55.05497	6.3
57.03440	8.7
57.07072	2.1
61.02927	13.0
67.05499	11.0
69.03429	33.7
69.07057	4.4
69.40065	11.4
70.06578	2.0
71.04980	4.8
73.02908	6.1
79.05499	8.5
81.03419	14.9
81.07056	28.0
83.04945	1.7
83.08588	3.0
85.02903	95.7
86.09687	1.8
87.04453	5.4
89.40321	1.4
91.03937	4.2
91.05475	10.0
93.07033	17.8
95.04952	4.2
95.08606	16.9
97.02891	32.9
97.06530	12.4
97.10197	1.8
98.97596	1.5
99.04450	6.6
99.08081	7.1
103.03935	2.5
105.07027	21.5
105.94431	1.3
107.04942	2.0
107.08591	24.3
109.02872	11.3
109.06499	5.3
109.10159	13.2
111.08108	2.2
117.06965	5.0
119.08575	18.8
121.06493	12.3
121.10130	17.6
123.08067	10.7
123.11688	8.0
125.09622	2.8
127.03912	23.7
129.07005	3.1
131.08572	19.4
133.10147	14.1
135.08083	11.5
135.11676	12.2
137.09619	7.1
142.07747	2.9
143.08586	10.8
145.04956	17.7
145.10124	21.7
147.08058	5.7
147.11685	12.6
149.09637	14.1
149.13252	5.2
151.11134	3.1
153.09059	3.5
155.08534	4.4
156.09340	1.8
157.10130	11.3
159.11687	13.6
161.09622	7.1
161.13246	9.1
163.11172	4.2
163.14716	1.8
167.10670	10.9
169.10118	6.1
171.11697	7.6
173.13271	7.9
175.11151	3.2
175.14809	3.6
177.12752	2.3
177.16365	3.0
181.10135	2.4
183.11719	8.5
184.07266	2.8
185.13181	8.4
187.14804	4.6
189.12663	2.9
193.04967	3.7
193.12285	3.5
195.11626	2.3
197.13228	6.4
199.14832	9.2
201.12648	2.2
201.16344	8.6
203.14352	2.5
209.13240	2.7
211.14841	4.0
213.12611	2.0
213.16370	5.6
215.17885	2.1
219.17465	6.9
219.29018	1.7
223.14897	2.7
225.16260	8.6
227.17917	2.8
229.14212	2.1
229.19540	3.2
237.16364	2.6
237.18474	15.6
239.17912	3.4
241.15744	1.7
241.19556	8.3
243.17404	4.0
243.21301	1.7
253.19543	8.9
255.17108	1.4
255.21017	2.4
257.19012	3.5
259.20557	11.1
265.19464	5.5
271.20557	21.4
279.19562	1.8
283.20590	26.3
289.21625	9.0
301.21634	20.8
307.22678	14.7
319.22626	36.3
326.58896	1.6
337.23730	100.0
410.93384	1.6
455.22617	1.7
481.20831	3.4
499.21121	10.4
499.28952	7.3
499.36136	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	500.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
56.05034	1.1
57.03431	0.6
58.06602	1.3
60.08168	18.3
67.05511	1.2
70.06615	1.2
70.15504	0.7
70.15846	1.8
71.04990	0.7
71.07373	6.0
72.08172	0.9
74.09721	0.9
79.05480	2.0
79.56639	0.5
81.03419	3.6
81.07066	2.4
83.08617	1.1
84.04494	0.7
85.02922	1.0
86.09709	50.4
91.05499	1.6
93.07063	1.5
95.05001	0.9
95.08617	1.8
97.02908	0.6
97.06555	0.7
98.98467	2.8
100.11302	0.7
104.10748	100.0
105.07031	1.7
107.08599	1.1
109.06521	0.8
119.08596	1.1
121.10157	1.4
125.00009	31.2
127.03934	1.0
131.08591	0.7
133.10147	1.3
138.33110	0.6
147.08037	0.6
149.09651	0.8
162.09975	0.6
163.01509	0.7
184.07350	99.3
210.14993	0.6
227.56566	0.6
258.10995	1.1
267.15875	1.3
285.16980	0.9
337.23593	0.7
338.24036	2.3
432.21436	8.4
450.22534	65.0
482.24847	0.7
482.34027	1.1
500.20453	0.8
500.35239	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59784	0.3
51.62638	0.2
54.02567	0.2
56.05027	0.3
58.06607	0.4
60.07890	0.5
60.08167	5.9
60.17206	0.2
67.05488	0.3
67.16440	0.2
70.96398	0.3
70.96737	0.4
71.07379	2.7
81.03411	0.5
81.07039	0.3
83.16479	0.2
85.02889	0.4
86.09707	28.9
86.70453	0.2
91.05502	0.4
93.51855	0.3
93.52454	0.2
94.26033	0.2
98.98453	2.3
104.10746	2.7
121.10103	0.4
125.00009	18.6
161.17615	0.2
181.04922	0.4
184.07344	100.0
185.07631	0.3
239.48940	0.3
244.19064	0.2
267.15903	0.3
432.21597	1.0
450.22559	11.4
482.25058	0.5
501.90442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.8
55.05497	4.7
57.03437	3.8
61.02924	3.1
62.00006	1.1
67.05509	9.4
69.03421	3.4
69.07063	3.0
69.49265	8.9
70.06594	2.4
70.27584	1.2
70.49732	1.2
71.04971	1.9
76.98127	1.2
79.05491	8.9
81.03421	97.9
81.07046	8.0
82.35233	1.2
83.04969	4.3
83.08146	2.1
83.08624	26.8
85.02936	2.7
91.05488	11.2
93.07040	6.4
95.04380	1.9
95.04972	30.0
95.08576	2.3
97.02892	4.3
97.06534	1.4
97.10142	2.1
105.07037	9.6
107.04966	9.1
107.08579	3.8
109.06508	3.2
109.10097	1.1
111.04411	2.6
111.08088	11.0
116.01112	1.1
119.08591	10.1
121.06580	1.3
121.10119	5.5
123.04434	1.8
123.08039	1.9
129.06998	6.6
131.08528	7.7
133.06488	4.7
133.10123	5.5
137.09621	1.5
142.07784	2.2
145.10121	2.3
147.04398	1.2
147.08058	2.3
147.11693	6.8
149.09572	6.5
157.10141	12.2
160.62656	1.2
163.11133	2.4
165.12831	3.0
165.76347	1.3
175.11209	13.5
184.07350	2.5
193.12257	74.3
198.97403	1.4
211.13275	4.2
226.14105	1.2
235.13351	2.3
267.15921	50.4
285.16980	100.0
309.16965	10.4
363.17996	3.7
375.18155	2.0
393.19186	1.6
429.21185	4.3
447.22186	1.7
453.21564	1.3
518.09705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	19.9
55.05521	2.2
61.06976	2.2
67.05498	7.8
67.35835	2.0
69.07067	7.5
69.19518	19.0
69.19920	5.3
70.02958	4.4
70.06596	11.9
71.04993	21.2
75.05267	2.1
75.14412	2.2
79.05482	9.4
80.04980	4.0
81.07032	10.5
93.07028	8.8
94.06598	2.7
95.08601	3.7
96.04456	2.7
96.08126	6.3
97.06519	19.4
98.09700	11.5
107.08584	4.3
108.08126	6.4
109.10146	5.0
112.07611	3.0
120.08112	4.6
121.10094	3.0
122.06025	21.1
124.07594	42.5
136.07579	78.2
140.07077	27.4
143.49103	2.8
148.07567	2.4
153.07834	3.4
176.14319	7.5
194.15388	9.6
204.13864	16.6
222.14882	100.0
240.15993	4.8
275.51062	2.2
283.26224	5.1
311.29349	3.6
395.61636	2.2
482.36325	79.6
500.46506	5.3
518.50977	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	500.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	3.1
55.05512	26.3
55.58421	2.6
57.03444	14.5
57.07065	8.1
59.05008	4.7
64.54448	2.1
67.05509	87.2
69.07070	22.2
71.05000	3.4
71.08621	5.6
71.09665	4.0
79.05491	3.0
81.07053	16.5
83.08621	29.8
85.10160	3.8
88.07649	2.6
91.05489	6.8
93.07032	6.3
95.08594	10.0
97.10182	13.5
107.08571	4.6
109.10160	73.5
111.08066	3.7
111.11744	5.7
119.08562	4.3
121.10155	2.8
130.46465	2.4
137.09633	3.3
155.10663	6.9
173.11757	19.5
229.14357	100.0
236.57805	2.4
273.22256	2.4
283.26419	4.4
284.81943	2.8
311.25803	71.1
351.92368	2.5
465.35776	86.9
466.81598	2.2
500.46899	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	501.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01868	6.0
55.05512	35.0
55.47964	1.7
57.03421	5.5
57.07061	8.3
59.04994	2.7
65.03931	2.1
67.01860	2.2
67.05507	29.8
68.00399	2.1
69.03430	27.6
69.07072	77.0
69.70911	12.1
71.01347	2.0
71.04992	6.7
73.02921	2.7
73.06535	1.9
79.05494	24.1
80.20473	1.6
81.03419	33.4
81.07059	100.0
83.04999	12.2
83.08614	6.7
85.02885	8.8
85.06541	14.2
86.09688	3.9
91.05475	19.0
93.07050	46.9
94.30199	1.8
95.04974	20.6
95.08616	69.0
97.02874	10.8
97.06519	19.7
97.09553	3.2
97.10176	56.9
99.04450	7.6
99.08099	8.2
101.06004	2.6
105.07039	29.9
107.04939	5.3
107.08593	45.8
109.02900	29.0
109.06513	14.4
109.10153	33.2
111.04430	5.4
111.08087	20.3
111.11734	22.2
113.05981	2.5
117.07022	7.5
119.04868	2.3
119.08588	30.9
121.06502	8.9
121.10159	38.2
123.04383	3.9
123.08073	8.4
123.11716	65.7
125.02390	1.9
125.09602	3.4
127.03913	22.5
129.06992	3.5
129.10136	2.3
130.07765	3.0
131.08562	12.4
133.06470	3.5
133.10120	21.1
135.04396	2.0
135.08032	6.8
135.11699	25.0
136.58611	2.0
137.09598	8.0
137.13266	6.8
139.11186	44.5
141.12758	2.0
143.08577	5.8
145.02834	2.4
145.04956	2.1
145.06488	4.1
145.10138	14.9
147.04463	3.0
147.08064	6.3
147.11710	23.8
149.09595	8.7
149.13264	8.6
151.11183	7.1
153.12790	9.2
157.10118	7.4
157.12254	27.1
159.08014	2.4
159.11691	19.4
161.09665	5.2
161.13293	12.7
163.03877	8.6
163.07571	2.1
163.11200	12.9
163.14798	5.3
165.09129	5.5
165.12753	9.7
167.10765	1.9
169.10129	2.7
171.11707	5.3
173.09674	4.4
173.13260	7.1
175.07588	3.2
175.11206	6.3
175.14790	5.0
177.12729	6.9
177.16391	2.2
179.10728	3.5
181.12163	1.8
181.15900	2.4
183.10260	2.4
185.09563	4.2
185.13309	3.7
187.11189	4.8
187.14790	5.3
191.10800	3.5
191.14264	2.7
191.17870	2.4
193.16019	2.2
197.13287	3.0
201.12752	2.7
201.16391	3.9
203.10796	4.6
203.12778	10.1
203.14391	2.6
205.15781	3.4
210.59575	1.9
211.14677	2.1
212.89700	2.1
213.16232	2.6
215.10519	2.2
215.14360	3.2
223.16978	3.7
227.14388	3.1
229.12180	2.6
231.14027	2.4
233.15338	3.9
235.16922	2.4
247.16989	3.2
251.16393	5.1
253.17717	2.5
267.21213	3.0
269.22250	2.6
275.23547	10.9
285.22150	7.2
291.23105	8.7
303.19968	3.6
303.23178	31.4
311.15015	3.7
319.22711	3.2
321.24231	21.9
329.15939	4.1
337.23578	4.3
338.24371	2.1
339.24927	5.8
345.24274	2.4
363.25671	2.1
383.25696	3.6
395.20618	4.4
405.25812	2.5
411.25281	7.3
429.26224	22.4
435.27313	5.0
447.27472	35.3
453.28336	3.3
465.22418	3.5
465.28485	48.4
483.29303	9.0
501.23349	16.0
501.29501	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	501.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	8.7
55.01865	5.8
55.05513	37.9
57.03422	7.1
57.07076	10.3
59.04995	2.4
62.97107	2.5
67.05511	33.9
69.03425	22.9
69.07069	73.7
71.01349	2.3
71.04985	6.7
71.52514	2.3
73.36041	2.0
79.05502	17.7
81.03422	28.0
81.07056	100.0
83.04971	12.6
83.08597	6.0
85.02899	12.6
85.06528	9.4
86.09708	2.7
91.05468	19.5
93.07046	47.8
93.72028	2.2
95.04968	16.7
95.08608	68.4
97.02898	9.4
97.06529	17.0
97.10174	48.3
99.04444	7.9
99.08078	6.3
103.03955	2.6
105.07039	31.3
107.04942	6.5
107.08589	39.5
109.02888	31.8
109.06531	14.5
109.10158	25.5
111.04488	4.3
111.08090	24.1
111.11729	21.3
113.06009	2.5
117.07005	6.5
119.08575	24.1
121.06495	9.3
121.07262	2.2
121.10154	37.2
123.04424	2.8
123.08061	6.7
123.11708	63.3
125.09593	5.2
127.03916	22.7
130.34494	2.0
131.08609	9.8
132.92361	1.9
133.06483	3.4
133.10130	15.3
135.04407	2.9
135.08038	5.9
135.11702	25.3
137.05888	2.2
137.09637	9.1
137.13235	5.8
139.11180	46.0
143.08539	6.7
145.02802	2.4
145.06447	2.5
145.10118	18.5
147.00655	2.0
147.04367	3.3
147.08051	6.5
147.10631	3.2
147.11697	24.9
149.09596	6.3
149.13260	9.6
151.11166	8.4
153.12718	9.1
157.10114	8.3
157.12218	24.5
159.08089	4.5
159.11694	15.7
161.09676	6.3
161.13272	11.7
163.03900	5.1
163.11168	9.7
163.14815	3.7
165.09082	5.1
165.12756	12.7
167.10681	3.4
169.12206	4.0
171.11674	4.6
173.13243	4.9
175.11211	7.1
175.14790	2.9
177.05423	2.6
177.09157	2.1
177.12697	10.5
179.10638	4.9
185.09621	3.0
185.13208	3.0
187.13234	5.7
187.14780	5.1
189.09184	3.1
189.12694	3.3
189.16339	3.2
191.10583	2.9
191.14258	2.6
193.12212	2.4
195.13704	2.1
201.12662	4.0
203.10774	3.9
203.12770	8.8
205.15863	3.4
213.12773	4.0
215.95168	2.2
217.12306	2.1
219.17290	2.2
227.14322	3.6
231.13705	5.3
233.15318	5.9
247.16948	2.9
249.14899	2.7
251.16417	5.7
265.17978	4.2
275.23700	6.8
285.22134	4.0
289.35818	2.3
291.23151	8.6
303.23141	34.2
311.14804	2.3
313.16483	3.1
319.22571	2.9
321.24261	19.2
327.23062	2.4
338.23972	2.8
339.24850	3.5
383.26025	4.6
387.25513	2.7
399.25537	2.7
411.25443	6.7
429.26437	21.1
435.27484	5.0
447.27490	34.3
453.28323	3.7
465.22366	3.8
465.28445	46.1
483.29517	7.8
501.22980	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	501.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88802	1.5
53.03936	4.7
55.01865	3.0
55.05516	26.4
55.64964	1.3
57.03203	1.7
57.03445	22.0
57.07082	13.8
61.02935	54.1
67.05180	2.1
67.05513	35.3
69.03085	2.0
69.03436	28.1
69.07075	40.0
70.57056	2.5
70.57391	1.7
71.01353	2.2
71.04994	5.0
71.08622	6.6
73.02924	25.4
74.56317	1.4
75.04478	2.0
79.05489	14.8
81.03418	16.9
81.07063	34.3
83.04982	2.9
83.08160	2.0
83.08623	26.3
85.02914	55.9
85.06535	1.9
85.10179	3.5
87.04467	2.6
91.03963	35.0
91.05479	4.8
92.70889	1.5
93.07050	16.8
95.08005	1.4
95.08617	36.3
97.02900	48.5
97.06528	2.5
97.10192	16.3
99.04475	8.6
101.02381	12.9
103.03938	6.1
105.07031	1.6
107.08617	11.8
109.02895	8.9
109.06513	2.4
109.09482	2.0
109.10168	20.4
111.04484	2.2
111.08087	3.0
111.11720	7.5
115.03925	4.6
119.08567	1.8
121.10152	19.5
123.11715	7.7
125.09638	2.3
127.03929	21.6
129.05508	4.2
133.10170	2.1
135.11700	14.2
137.13263	3.9
139.11154	2.0
145.04958	10.4
149.13264	5.1
151.14818	2.3
153.12796	2.3
159.06595	3.1
163.14766	3.3
165.16371	3.4
183.06544	4.0
201.07623	6.9
219.08771	2.2
247.24179	10.5
265.25281	34.9
287.82794	1.8
339.28967	100.0
367.28406	5.1
381.29910	2.1
427.34222	1.9
447.31097	2.7
465.31931	2.4
483.32782	7.2
501.33994	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	502.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.05514	30.3
56.05031	6.2
57.03426	3.3
57.07062	4.4
59.05003	3.0
67.05505	18.5
69.03442	9.5
69.07069	71.2
71.04985	7.7
71.38243	3.1
79.05486	18.4
81.03416	1.8
81.07056	53.2
82.07378	1.7
83.04972	7.3
83.08605	4.5
83.64727	1.4
84.04507	100.0
85.02896	2.6
85.06554	2.4
91.05480	12.6
93.07043	59.7
95.04974	10.6
95.08607	53.4
97.06546	13.2
97.10174	43.8
99.08090	1.9
102.05543	56.3
105.04585	2.1
105.07047	15.7
107.04980	2.1
107.08595	32.5
109.06511	8.9
109.10161	34.1
111.08044	3.7
111.11707	20.3
115.11208	2.1
117.07003	2.9
118.95493	1.6
119.08583	19.8
121.06522	3.3
121.10149	44.2
123.08076	5.7
123.11696	15.4
125.09612	5.0
127.03876	3.3
130.05006	49.0
131.08571	6.4
133.10139	14.6
135.08046	4.3
135.11702	25.9
137.09579	9.5
137.13313	2.2
138.12796	2.5
139.11182	58.2
143.08505	2.6
145.10124	12.5
147.08047	3.2
147.11676	5.7
148.06052	55.6
149.09628	6.2
149.13255	3.4
151.11198	11.2
153.12747	6.6
155.10773	2.1
157.10100	6.9
157.12227	26.6
157.81273	1.5
159.11679	9.3
161.09630	6.3
161.13254	2.8
163.03963	2.8
163.11169	11.8
164.04317	2.0
165.09142	2.3
167.10712	3.7
171.11807	1.9
173.13252	3.9
175.11200	2.7
175.14816	3.6
177.12747	3.9
179.10674	7.9
179.14326	1.9
181.12230	11.3
184.13327	2.7
185.11726	2.2
185.13303	3.4
189.12708	2.1
201.16364	2.2
203.12718	8.6
203.14401	2.2
213.04776	1.9
215.17831	1.6
221.15297	1.7
240.15958	3.6
255.21124	4.0
265.19623	2.3
268.15475	12.7
273.22159	10.0
275.20010	2.4
277.55078	1.5
283.20581	5.4
286.16498	12.9
289.21652	3.8
291.23196	14.7
293.21152	1.8
301.21646	26.3
307.22501	3.7
314.15866	6.9
319.22708	32.2
337.23785	6.5
402.26297	4.0
420.27368	8.6
422.25293	2.8
430.25909	3.9
436.27206	3.1
438.28503	5.7
448.27072	11.7
454.28064	4.3
466.28146	17.7
484.28876	5.1
502.30026	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	502.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69472	1.7
53.03935	4.9
55.01856	2.7
55.05512	21.5
56.05032	5.4
57.03424	5.0
57.07057	3.4
59.04985	4.6
64.51534	2.0
67.05508	24.1
69.03440	9.8
69.07073	60.0
69.30143	17.2
71.04980	7.6
79.05494	16.3
81.03423	2.2
81.07062	53.4
82.78056	1.7
83.04978	7.7
83.08616	4.9
84.04508	100.0
84.57639	1.9
85.02909	4.1
85.06539	2.5
91.05495	16.8
93.06487	3.9
93.07049	62.7
93.57411	1.8
95.04984	13.0
95.08609	56.7
97.06531	11.3
97.10168	34.3
99.04501	2.2
99.08044	3.0
102.05546	59.5
105.07030	19.7
107.08601	35.7
109.06509	12.2
109.10157	39.5
111.08094	4.7
111.11732	15.3
119.08590	18.5
121.06495	4.5
121.10142	53.6
123.08065	7.6
123.11707	17.5
125.09628	5.2
130.04050	3.5
130.05003	55.4
131.08571	8.7
133.10135	18.0
135.08046	5.7
135.11714	24.9
137.09653	10.4
138.12726	2.7
139.11182	41.8
143.08563	4.2
145.10124	14.7
147.08022	4.5
147.11691	8.6
148.06056	67.8
149.09630	10.3
149.13255	3.5
151.11194	12.2
153.12767	5.8
157.10130	6.0
157.12234	25.5
159.11746	14.3
161.09615	7.4
161.13266	5.0
163.11168	14.2
165.09126	3.2
166.12311	2.8
167.10657	5.9
171.11687	4.4
173.13324	5.3
175.11194	4.7
175.14807	3.1
177.12802	2.5
179.10707	6.3
181.12218	8.2
184.13371	4.1
185.13213	3.2
187.14894	2.7
195.13708	2.1
199.14893	3.1
203.12769	7.2
203.14449	3.4
203.46744	1.8
213.16362	2.9
240.16049	2.8
255.21132	5.1
268.15451	10.8
273.22134	11.5
275.20038	3.9
283.20526	6.1
286.16528	14.1
289.21408	2.3
291.23273	10.7
293.20978	2.4
301.21634	31.3
307.22525	3.7
314.15967	3.5
319.22656	31.7
337.23688	7.8
402.26193	5.3
420.27499	7.1
422.25754	2.2
430.25549	2.6
436.26700	3.4
438.28378	4.9
448.26935	11.3
454.27881	4.6
466.28235	11.2
484.28897	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	502.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01865	0.6
55.05515	3.9
56.05039	3.8
57.03432	0.7
57.07063	0.3
58.06616	0.5
60.08170	0.4
60.17020	0.2
63.66936	0.2
65.03945	2.4
67.05507	10.4
69.07073	3.2
69.24380	1.9
70.06593	0.7
71.04977	0.5
71.07377	19.2
73.39449	0.2
79.05494	2.6
81.07062	9.6
83.05006	1.1
83.08620	0.9
84.08121	0.2
86.09709	76.8
90.99500	0.2
91.05491	1.7
93.07059	2.8
95.08611	6.8
97.06526	0.4
97.10187	0.4
98.98470	7.4
105.07030	1.0
107.08621	1.3
109.10168	2.3
119.08626	0.5
121.10141	0.8
122.60413	0.2
123.08128	0.4
123.11726	0.8
125.00011	21.0
133.10149	0.8
136.99992	2.7
143.01076	0.3
147.11673	0.3
149.13298	0.2
151.01567	0.3
153.12805	0.3
163.01561	18.3
163.14815	0.2
179.14342	0.6
181.02608	1.8
184.07346	7.3
253.81207	0.2
259.53186	0.2
293.20999	0.2
307.26376	0.4
349.27545	0.6
443.25577	5.1
443.31357	0.4
459.23853	0.4
459.94806	0.2
469.38150	0.2
472.03354	0.2
502.32941	100.0
503.33270	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	502.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.2
55.05270	3.6
55.05514	51.7
57.03431	7.7
57.07077	12.7
57.56989	2.5
59.05015	3.7
61.32402	2.4
67.05509	72.5
69.03436	7.1
69.07078	20.2
69.47405	8.1
69.47816	11.9
71.05007	6.2
71.08618	2.8
73.02887	2.9
79.05079	2.6
79.05505	32.7
81.03427	12.7
81.07061	51.9
83.04972	10.6
83.08624	26.9
85.02908	24.9
85.06524	13.3
87.04462	9.6
91.05488	39.8
93.07049	24.6
95.04980	6.2
95.08619	17.9
97.02923	4.8
97.06557	5.1
97.10175	43.2
99.08083	6.2
103.03881	4.7
104.73732	3.2
105.07010	8.3
107.08607	28.6
109.06506	3.4
109.10157	51.3
111.04461	3.7
111.08068	12.5
115.03842	3.2
117.07019	6.5
119.08594	9.7
121.10133	9.5
123.08141	3.8
125.09637	52.2
129.54242	2.7
131.08533	5.1
133.10139	100.0
135.11694	10.5
137.09634	4.1
143.10680	9.1
145.10120	6.9
147.08003	3.3
149.09633	24.5
149.13245	14.8
153.09103	6.7
153.12779	5.4
155.10687	9.0
157.12242	4.3
159.11670	5.8
163.11227	13.4
171.10176	13.3
173.11771	43.4
175.11153	3.1
177.12784	5.7
182.55356	2.5
185.18697	2.5
187.13286	7.7
189.11235	13.2
191.10828	2.8
193.12241	6.7
195.13809	31.4
199.13321	3.3
209.11749	9.1
213.14867	5.9
227.12733	6.4
227.16362	3.6
314.48837	2.7
455.14969	3.2
502.34503	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	502.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21688	1.7
55.05500	8.6
57.03443	12.9
57.07077	29.0
59.04990	4.9
67.05506	72.9
69.07067	7.9
69.75147	9.9
70.06524	1.7
70.08085	1.9
71.04987	2.7
71.08634	21.0
77.31545	1.6
79.80585	1.7
81.07053	18.0
83.08631	11.6
85.10185	11.8
90.86547	1.7
91.05459	3.7
93.07043	3.8
95.08610	16.6
97.10150	3.4
102.39542	1.6
109.10162	73.1
119.08585	4.9
123.11728	2.3
124.68147	1.7
137.09631	3.5
155.10658	4.9
173.11746	19.0
229.14359	100.0
294.88065	1.8
311.66840	1.7
313.27371	95.8
447.38913	2.1
459.78888	1.9
467.37369	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64931	1.5
53.03952	3.8
55.05487	4.9
61.02918	2.3
67.05479	4.2
69.03428	22.5
69.07065	13.9
69.91546	8.7
70.06580	2.0
71.04998	3.2
72.08174	2.0
79.05492	6.4
81.03419	9.0
81.07036	4.7
83.04944	3.6
84.04473	3.0
85.02904	18.0
86.09698	3.6
87.00808	7.7
91.05463	7.8
93.07034	6.2
95.08620	10.5
97.02886	16.8
99.00882	2.2
99.04425	3.1
105.01869	9.4
105.07036	17.4
107.04942	3.4
107.08570	11.8
109.02883	12.0
109.06499	7.0
117.07002	3.8
119.08593	21.1
121.06520	11.0
121.10146	8.3
123.08076	10.4
127.03912	14.4
129.07016	3.7
130.07762	2.8
131.08553	5.3
133.06502	4.9
133.10078	4.8
135.08057	60.2
137.05962	37.0
139.07544	4.4
142.07756	8.1
143.06989	4.0
145.04939	5.9
145.06487	3.6
145.10136	13.0
146.07214	2.8
147.08018	5.7
147.11659	11.3
149.05925	5.5
149.09630	41.4
151.06432	3.4
151.07539	24.8
155.06990	2.9
157.10129	8.5
158.07268	2.7
158.21213	1.9
160.08833	18.4
161.08055	4.1
163.03949	2.0
163.07487	4.1
163.11205	16.0
173.09622	19.3
175.11186	100.0
177.09088	4.5
191.10677	60.3
193.08559	6.1
193.12230	34.6
195.10170	2.0
201.09088	5.0
203.11757	4.2
207.07584	4.2
219.10194	18.8
231.04929	2.3
237.11217	67.0
255.12178	2.7
270.10455	2.7
326.54565	1.9
341.13376	3.3
350.73624	1.8
405.07809	1.8
503.16956	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	503.1892
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
53.03926	1.0
53.55026	0.6
57.03443	0.8
69.03429	1.0
69.89406	1.8
69.89811	1.3
70.06602	0.8
79.05494	0.8
81.03414	1.7
81.07049	1.1
83.04973	0.7
85.02907	3.7
85.93196	0.6
91.05470	1.0
95.08614	0.8
97.02897	1.8
98.00553	0.8
99.04478	1.0
103.03930	1.6
103.84320	0.7
105.07018	1.7
107.08591	2.9
109.02888	1.6
109.10169	1.5
121.10169	1.1
127.03931	3.5
133.10127	2.0
135.69858	0.7
145.02927	0.6
145.04945	1.2
149.01289	0.7
151.03902	1.8
151.11191	1.1
163.03926	1.3
167.10628	0.9
179.10686	2.2
181.31387	0.6
197.11725	12.6
197.13432	0.8
237.14799	0.8
244.58090	0.6
260.09448	0.8
267.09097	1.5
285.09998	0.9
485.20282	1.6
503.18939	100.0
504.19263	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1891
Annotation	Syringylresinol diacetate
Peak:m/z	Relative Intensity
53.03929	0.7
55.05500	1.2
56.05032	0.6
63.93878	0.8
67.05503	1.3
68.05030	0.8
69.03417	1.8
69.33139	1.2
69.33543	4.3
70.06574	3.2
79.05482	1.1
81.03423	1.3
81.13927	0.7
83.04975	1.3
84.04498	1.1
84.08163	0.9
85.02908	3.3
86.06081	0.9
86.09698	1.5
91.05446	0.8
93.07031	2.0
95.04964	1.1
95.08619	0.9
97.02891	1.6
99.04463	1.6
103.03937	2.7
105.07023	1.0
107.08609	3.4
109.02866	1.7
109.10136	1.1
111.79396	0.7
114.05542	5.0
115.41136	0.6
116.07049	0.6
119.08562	1.2
121.10181	0.6
123.11755	0.9
127.03940	4.7
128.07047	0.8
133.10120	2.6
135.11694	2.7
145.04921	1.3
147.11740	0.8
148.06036	1.6
149.77678	0.6
161.09557	1.8
163.05981	1.3
179.10637	4.5
181.04823	0.7
197.11725	18.8
215.10175	1.0
239.12836	0.9
259.12909	1.2
267.08737	0.9
273.31543	0.7
285.10086	1.3
320.22949	0.8
323.14777	1.2
359.17188	0.9
377.01840	1.3
392.90103	0.8
444.73477	0.7
467.19009	1.3
485.20129	5.2
503.18991	100.0
504.19434	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89175	0.5
53.03949	4.3
55.05503	1.5
61.02918	0.9
68.31075	0.5
69.03429	2.3
70.69465	1.3
71.04980	1.0
73.02925	0.9
77.15414	0.5
79.05484	1.2
81.03423	2.5
81.07031	1.6
83.04986	10.9
85.02909	5.8
86.09705	1.1
91.05491	2.5
93.07040	4.3
95.08604	1.1
97.02902	3.0
97.37907	0.4
99.04464	6.4
103.03957	3.2
105.07037	4.4
107.08598	22.1
109.02885	14.5
109.06478	0.7
109.10151	0.9
119.08586	4.4
121.10163	4.3
123.11699	0.6
127.03923	10.8
132.05655	0.5
133.10130	11.8
135.11646	0.8
137.05934	1.3
137.09642	0.7
139.07532	1.1
143.08591	0.5
145.04945	2.1
149.09641	2.7
151.07550	0.7
151.11172	6.2
161.09601	4.4
163.05975	0.6
167.10683	11.6
167.12103	0.6
169.10782	0.5
175.07503	0.5
179.10681	13.8
188.31369	0.5
197.11740	100.0
198.12143	0.8
224.91139	0.6
245.10233	1.5
253.07051	0.6
271.08020	1.0
306.12430	0.5
359.17081	4.9
404.07925	0.5
441.21140	3.7
443.19284	0.5
467.19122	7.5
485.20331	3.6
503.19064	7.9
503.31631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81200	0.4
53.03944	3.9
53.11234	0.4
55.01869	0.7
55.05503	1.6
61.02927	1.0
65.06440	0.4
67.05493	0.8
69.03439	2.7
70.64037	0.7
70.64366	0.7
71.04985	1.1
73.02920	0.8
77.27131	0.6
79.05482	1.6
81.03426	3.6
81.07042	1.7
83.04984	14.8
85.02907	6.2
91.05473	2.5
93.07044	3.3
95.08604	1.4
97.02906	3.3
98.97565	0.4
99.04450	7.6
101.05988	0.5
103.03938	3.0
105.07050	4.4
107.08597	23.8
109.02887	20.7
109.06521	0.7
109.10146	1.5
117.07035	0.5
119.08590	4.0
121.10155	4.3
123.11714	1.0
125.09630	0.6
127.02999	0.6
127.03922	13.9
131.08531	1.0
133.10141	14.1
135.11674	0.5
137.09615	0.9
143.08580	0.8
145.04964	2.3
149.09622	3.7
151.03868	1.2
151.07541	0.7
151.11185	6.0
161.09619	4.6
163.06006	1.2
167.10678	11.7
169.12282	0.4
178.18277	0.4
179.10680	14.1
187.05930	0.7
197.11736	100.0
221.69603	0.4
245.10176	1.9
271.08148	1.4
353.35376	0.5
359.17029	4.1
433.69592	0.4
441.21262	4.8
443.19135	0.5
449.17868	0.6
467.19159	12.5
485.20288	5.7
500.28720	0.5
503.18994	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	503.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.2
55.01875	2.9
55.05513	8.0
57.03431	3.3
57.07070	3.0
63.18382	0.9
67.05510	13.5
69.03386	1.1
69.07075	10.8
69.59347	6.2
71.04999	1.2
71.08625	5.4
75.04484	1.0
79.05498	9.6
81.07067	20.7
83.04981	2.4
83.08620	5.7
85.06557	1.8
88.03993	2.0
91.05480	7.6
93.07056	11.2
95.04964	1.6
95.08617	16.1
97.06557	4.0
98.20779	1.5
98.98476	74.2
99.08112	3.1
100.98592	1.1
105.07037	10.2
107.08611	11.5
109.06524	14.0
109.10152	7.7
111.08091	2.6
116.99495	1.0
117.07034	1.9
119.08604	11.9
121.10149	6.2
123.08074	32.7
123.11685	2.0
125.09634	2.4
131.08583	3.6
133.06468	1.0
133.10132	10.0
135.08067	18.7
135.11708	3.4
137.09669	1.5
137.13278	1.1
140.00992	1.2
143.08612	1.7
145.10120	6.2
147.08159	1.1
147.11711	5.9
149.09688	5.0
149.13266	3.4
155.01083	1.2
157.10156	2.0
159.11674	4.8
161.09689	2.7
161.13248	2.1
163.11192	2.2
165.12778	2.6
167.14343	2.0
173.02116	10.5
173.13321	2.7
175.14867	6.6
177.12788	8.0
179.14322	42.2
185.37669	1.1
191.14313	2.6
193.12260	1.4
193.15877	2.8
205.15884	7.7
213.32161	1.1
219.17407	1.1
231.15996	1.0
233.18985	1.6
247.20560	2.4
263.20175	3.3
275.20163	4.1
289.21762	5.0
289.24701	1.3
293.21112	2.5
303.26785	7.6
331.26343	100.0
349.23468	2.0
349.27420	13.9
375.29181	1.4
387.28989	4.5
405.30035	65.0
423.31052	4.1
485.26492	5.2
503.27701	42.2
503.33383	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	503.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	3.2
55.05524	5.1
57.03423	4.7
57.07060	3.4
61.63735	1.2
67.05509	13.7
69.03439	1.7
69.07070	8.3
70.70249	1.7
70.70571	1.6
71.04968	2.5
71.08634	5.5
79.05495	6.4
81.07062	17.0
83.04950	2.1
83.08617	4.3
88.04009	1.3
91.05492	6.9
93.07040	9.4
95.08605	15.2
97.06535	2.8
97.10149	1.4
98.98473	68.3
99.08093	3.3
105.07027	8.3
107.08595	12.9
109.06514	13.2
109.10154	5.8
111.08080	1.7
116.99447	1.5
117.07047	1.4
119.08578	11.1
121.06468	1.2
121.10118	6.6
123.07200	2.1
123.08073	29.4
123.11677	2.2
131.08575	3.4
132.97678	1.2
133.10133	8.6
135.08063	15.7
135.11684	2.3
137.09605	3.8
145.10123	5.5
147.11687	6.8
149.09637	2.9
149.13226	3.3
155.01028	1.4
159.11693	4.5
161.09584	1.5
161.13374	1.2
165.12741	2.3
167.14351	2.2
171.11761	1.3
173.02090	11.2
173.13290	2.6
175.14828	4.9
177.12743	6.2
179.14316	48.7
191.14328	1.9
193.12201	2.2
205.15929	8.1
231.15570	1.2
233.19060	1.4
247.20589	2.5
253.14603	1.2
263.20120	2.3
275.20105	3.3
289.21643	5.0
291.19577	2.1
293.20966	3.0
303.26837	7.9
313.25110	1.2
331.26337	100.0
335.25500	1.6
349.27423	11.9
353.32346	1.2
375.28952	1.5
387.28970	4.8
405.30038	57.3
423.31427	2.3
485.26578	4.6
503.27698	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	503.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52205	1.2
51.81988	1.4
53.03935	5.9
55.01870	2.7
55.05271	1.7
55.05518	20.8
57.03432	4.4
57.07082	8.4
59.27528	1.3
59.91520	1.3
65.03954	3.0
67.05181	2.3
67.05512	31.6
69.03436	15.5
69.07075	40.3
71.04990	6.5
71.08641	1.4
71.51749	1.4
79.05498	22.2
79.05926	2.6
81.03428	20.8
81.07063	100.0
83.04971	4.3
83.08618	14.4
84.04516	1.8
85.02901	8.6
85.06550	11.7
91.05482	13.6
93.07051	50.0
93.07636	2.5
95.04975	10.1
95.08614	75.5
97.02896	8.7
97.06532	13.5
97.10184	22.4
98.58848	1.4
99.04456	4.6
99.08097	4.3
102.05555	1.5
103.03954	1.6
105.07037	17.2
107.04977	2.6
107.08604	43.9
109.02887	21.4
109.06538	6.8
109.10155	29.8
111.04448	4.0
111.08104	16.0
111.11730	9.5
112.73820	1.4
117.07006	3.7
119.08585	21.5
121.06514	2.0
121.09340	2.2
121.10157	35.0
123.04420	1.6
123.08075	3.9
123.11714	59.9
123.98834	1.3
125.09641	4.5
127.03928	15.5
129.06966	1.3
131.08553	5.6
133.10153	15.0
135.08035	2.5
135.11699	21.9
137.06078	1.6
137.09608	5.3
137.13269	17.2
139.11194	15.8
141.12743	3.1
143.08551	5.3
143.10678	1.7
145.04965	2.2
145.10162	9.5
147.07965	1.9
147.11688	16.0
149.09669	3.1
149.13277	33.1
151.07550	1.7
151.11224	4.8
151.14835	3.7
153.09164	1.4
153.12761	8.3
155.14233	1.8
157.10136	3.9
157.12265	10.1
159.08102	1.5
159.11703	9.8
161.09592	2.4
161.13264	8.5
163.11198	4.3
163.14717	7.1
165.09064	2.9
165.12772	4.0
167.14343	1.7
169.12230	5.3
171.11734	4.3
171.13805	2.3
173.09607	3.2
173.13272	4.8
175.11208	1.9
175.14821	5.0
177.12762	3.7
177.16399	2.7
179.14313	3.8
179.68565	1.4
181.08521	1.9
181.10086	1.9
183.11716	1.8
185.09694	1.4
185.13303	2.6
187.11176	2.4
187.13307	8.2
187.14836	2.5
189.12758	1.7
189.16382	3.1
191.10715	2.2
191.14357	2.6
193.16031	1.7
197.11707	2.7
197.13335	2.1
199.14879	2.1
201.16508	1.6
203.12804	3.7
203.18050	2.2
207.17554	1.3
213.12784	2.9
213.16345	1.4
215.14363	3.9
215.17995	1.8
217.19707	1.8
217.44029	1.5
223.16939	1.8
231.13795	2.0
231.17502	3.3
233.18828	1.5
237.18436	2.1
249.18472	1.6
257.22665	3.0
269.22632	2.2
275.23682	4.2
277.25183	4.3
287.23642	6.4
293.24762	8.6
303.23206	4.5
305.24753	30.5
313.16449	10.8
321.24365	1.6
323.25766	8.8
329.24692	1.4
331.17435	2.5
363.25290	1.5
364.15634	1.5
373.27444	1.8
383.25809	3.3
395.25690	1.8
401.26862	3.9
413.26978	7.0
419.27853	5.3
431.28064	11.4
437.29010	5.5
449.29007	18.5
455.29935	4.6
467.30185	15.3
473.31528	2.0
485.30820	4.3
503.24490	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	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05509	1.1
57.31938	0.8
66.42526	0.7
69.03427	2.9
69.18647	5.5
69.19070	2.4
71.05022	0.9
76.78876	0.8
81.03416	2.4
81.07089	0.8
85.02908	9.0
86.09705	2.3
87.00845	5.7
95.08616	2.4
97.02885	3.9
98.20817	1.7
99.04469	1.0
105.01862	8.5
105.07040	1.5
107.08586	1.8
108.05731	1.6
109.02888	6.7
121.10217	0.8
121.91802	0.8
123.08072	100.0
127.03921	8.3
145.04951	2.1
147.11649	1.1
147.64091	0.7
159.02933	0.9
175.11218	1.2
186.85770	0.8
213.03917	1.8
221.11719	29.4
231.05016	6.7
249.06021	2.0
259.09723	1.0
311.59970	0.9
504.21088	3.3
512.96271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05509	1.1
57.31938	0.8
66.42526	0.7
69.03427	2.9
69.18647	5.5
69.19070	2.4
71.05022	0.9
76.78876	0.8
81.03416	2.4
81.07089	0.8
85.02908	9.0
86.09705	2.3
87.00845	5.7
95.08616	2.4
97.02885	3.9
98.20817	1.7
99.04469	1.0
105.01862	8.5
105.07040	1.5
107.08586	1.8
108.05731	1.6
109.02888	6.7
121.10217	0.8
121.91802	0.8
123.08072	100.0
127.03921	8.3
145.04951	2.1
147.11649	1.1
147.64091	0.7
159.02933	0.9
175.11218	1.2
186.85770	0.8
213.03917	1.8
221.11719	29.4
231.05016	6.7
249.06021	2.0
259.09723	1.0
311.59970	0.9
504.21088	3.3
512.96271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.3
56.05033	0.4
57.03450	0.3
57.39784	0.2
58.06606	0.4
60.08167	5.8
67.05514	0.9
69.07069	0.3
70.04852	0.2
71.07375	2.4
71.52883	0.2
74.82024	0.2
79.05505	0.8
80.22620	0.2
80.24577	0.2
81.07067	1.2
86.09711	29.6
86.50734	0.2
91.05494	0.5
93.07063	0.6
95.08627	1.1
98.98469	3.1
104.10743	3.1
105.07049	0.5
107.08610	0.3
109.10169	0.4
117.07014	0.2
119.08620	0.3
121.10180	0.2
125.00011	20.1
131.08572	0.2
137.09680	0.2
138.71121	0.2
168.65565	0.2
184.07350	100.0
245.32652	0.2
286.33481	0.2
321.24347	0.2
332.26538	0.5
406.30185	0.3
439.05368	0.2
486.29825	1.1
504.30588	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	504.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.05510	25.4
56.05027	5.0
57.07074	5.5
59.04995	2.3
67.05505	34.3
69.03437	7.0
69.06730	3.8
69.07072	46.8
69.47120	1.9
69.81586	10.2
71.04988	11.1
76.15853	2.0
79.05498	23.7
81.07058	100.0
83.04967	5.8
83.08627	14.3
84.04507	93.8
85.02901	3.8
85.06537	5.2
87.39241	2.3
91.05479	16.9
93.07047	55.4
95.04965	16.4
95.08611	61.4
97.06524	8.4
97.10178	16.1
98.20765	2.4
99.08109	3.6
102.05540	53.4
105.07041	31.7
107.08595	41.8
109.02875	2.5
109.06517	7.0
109.10152	47.2
109.10847	3.6
110.71045	2.0
111.08064	11.1
111.11726	7.1
113.09668	3.1
117.06992	3.5
119.08578	26.0
121.06464	3.0
121.10143	43.6
123.08069	4.1
123.11708	49.0
124.12049	2.3
125.09613	5.6
127.38258	2.5
130.05006	61.1
131.08563	10.7
133.10107	17.2
133.10803	1.7
135.11714	24.9
137.09628	4.5
137.13258	6.3
139.11192	11.4
141.12735	3.3
143.08578	2.3
145.10124	22.8
147.11685	25.4
148.04861	4.3
148.06046	81.0
149.09595	4.1
149.13295	12.0
151.11166	4.1
151.14738	2.5
153.12738	10.7
157.10143	4.3
157.12228	4.6
159.11684	24.5
161.13206	13.2
163.11105	10.2
163.14815	6.2
165.12749	6.6
169.12331	3.1
171.13866	6.0
173.13235	6.1
175.14882	3.1
177.12747	4.1
177.16443	2.9
181.12265	4.7
185.13281	2.3
187.13298	3.3
187.14856	7.9
189.16313	2.4
201.16394	3.2
203.17940	2.3
221.18956	3.2
224.54698	2.3
233.15437	2.5
257.22650	9.3
270.17099	3.9
273.22076	3.3
275.23676	13.1
281.24756	2.9
285.22083	7.7
286.16412	4.5
291.23248	7.4
293.24698	14.5
298.16513	6.3
303.23175	80.3
309.24319	4.4
316.17560	22.1
321.24310	18.7
404.27774	5.1
420.27576	3.8
422.29239	10.3
432.27634	5.9
438.28464	4.7
450.28503	15.8
456.29758	4.0
468.29672	9.4
504.25696	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	504.317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	20.4
56.50404	4.9
57.03432	11.6
61.02914	9.9
62.77612	4.6
64.27596	4.8
67.05507	76.5
69.07054	16.7
71.52373	4.9
71.52724	5.6
79.05498	66.1
81.07056	90.6
83.08629	10.9
85.02925	9.6
85.06541	7.0
86.14080	4.5
90.09200	11.8
90.55153	4.7
91.05460	31.2
93.07050	70.5
95.08607	58.8
97.06517	11.0
98.98471	17.9
99.08081	10.5
105.07041	32.3
107.08592	57.0
109.10165	41.5
110.26651	4.3
113.09641	5.2
117.07039	13.3
119.08580	41.6
121.10164	48.7
123.08125	6.2
123.11745	26.0
125.09655	6.0
131.08583	35.3
133.10156	26.4
135.08049	6.4
135.11694	60.5
145.10130	29.7
146.04610	5.3
147.00699	5.0
147.11752	14.5
149.13203	31.9
151.11208	6.3
159.11627	26.4
161.13263	5.1
173.11913	7.0
173.13243	24.6
179.14336	10.8
180.14702	9.5
184.07355	16.8
205.19490	10.4
215.17964	100.0
233.18988	95.2
286.52396	5.0
307.22629	27.0
325.23663	26.9
332.26593	16.4
340.54318	4.9
406.30399	6.6
465.46274	5.1
504.27948	20.7
504.34576	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	505.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40111	1.2
53.03942	2.4
55.01869	3.2
55.05517	9.1
57.03438	12.7
57.07073	2.0
58.72932	1.1
65.03947	1.6
67.05511	44.8
69.07069	8.6
69.86559	5.0
72.08154	4.0
73.02924	1.5
79.05500	27.3
81.03439	1.2
81.07059	28.5
81.32239	1.0
82.07380	1.1
83.08611	2.4
86.09709	2.2
87.38737	1.0
91.05491	16.9
93.06481	2.1
93.07050	28.5
95.04980	2.4
95.08615	24.6
98.21511	1.4
98.98476	31.7
105.04507	1.4
105.07040	9.9
107.04939	1.1
107.08603	12.4
109.06519	1.6
109.10172	11.7
115.05425	1.1
117.07021	2.4
119.08580	9.7
121.10146	8.6
123.11731	2.2
129.05473	12.8
129.07008	1.8
131.08585	4.1
133.10150	6.8
135.08046	1.3
135.11681	6.1
145.10143	3.1
147.11676	4.5
149.13220	2.6
151.11221	1.1
155.01077	5.8
159.11699	2.0
161.13280	3.5
170.05809	5.4
171.11664	2.4
173.02142	5.9
173.13266	1.1
184.07356	4.5
215.17871	1.3
217.19412	2.2
229.04681	1.5
231.21242	1.5
241.19643	3.6
247.05679	2.2
259.20630	4.3
331.26639	1.2
333.24249	100.0
334.24893	1.1
335.25925	1.7
336.26114	6.0
337.64944	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3524
Annotation	Protobassic acid
Peak:m/z	Relative Intensity
53.03929	8.5
55.01868	23.7
55.05519	38.3
57.03436	6.1
57.07073	4.6
59.11813	3.4
65.03931	8.5
67.05509	88.3
69.03431	5.5
69.07073	44.4
69.69688	20.9
71.05002	5.9
78.13945	3.2
79.05498	59.6
81.03413	9.8
81.06208	3.5
81.07060	100.0
83.04974	14.0
83.08627	27.9
85.06538	4.9
91.05485	77.6
93.07043	66.7
94.07329	3.7
95.04977	18.0
95.08608	55.7
97.06537	26.6
97.10181	21.6
98.20692	4.8
99.08100	3.8
105.07041	70.2
107.04947	12.1
107.08594	51.4
109.06516	11.5
109.10158	26.8
111.04475	3.9
111.08066	4.6
117.07008	26.8
119.07803	5.6
119.08580	59.3
121.06524	11.8
121.10153	33.9
123.08085	16.0
123.11708	17.3
125.09643	11.6
125.94442	3.8
128.06250	7.2
129.07030	20.0
131.08582	37.6
133.06540	7.1
133.10127	41.3
135.08047	10.6
135.11710	16.7
137.09599	13.4
139.11252	5.2
141.06976	8.4
143.08566	18.2
145.06490	5.4
145.10139	33.7
147.08034	6.4
147.11688	25.2
149.09621	16.1
149.13269	9.1
151.11243	5.6
153.09076	5.9
155.08539	12.7
157.10153	17.3
159.08072	5.4
159.11670	22.9
161.09676	4.2
161.13290	11.3
163.11179	11.9
165.09128	28.9
165.12732	10.6
169.10127	15.7
171.11693	14.2
173.09732	4.6
173.13277	11.2
175.11174	5.1
175.14777	5.5
177.12794	8.4
179.14331	3.5
183.11702	9.8
185.13269	6.3
187.14775	6.4
189.11198	6.7
193.12184	3.5
195.11702	7.3
195.13786	6.2
197.13304	10.1
199.14824	3.7
201.12718	6.5
233.15424	5.6
255.17252	3.4
257.19046	7.9
275.20059	69.3
275.22900	2.4
289.21851	4.4
293.21194	18.0
301.21558	7.6
313.21701	5.0
357.24167	7.0
375.25327	11.0
423.32452	5.0
433.30994	17.5
451.32254	33.1
459.34329	6.7
469.33249	55.7
487.34335	49.9
505.27670	5.1
505.35391	20.8
509.98770	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	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.4
55.05505	2.9
57.03444	2.3
57.62676	1.1
57.91772	0.9
58.70844	1.2
59.29861	1.0
67.05513	2.8
69.03436	13.4
69.07062	1.4
69.57848	1.2
70.68528	1.9
70.68862	2.1
71.05000	1.9
73.02916	1.3
77.72139	0.9
78.82655	1.0
79.05508	4.3
81.03408	5.4
81.07065	6.3
83.04972	2.0
85.02911	12.1
86.09718	1.8
87.00825	4.9
88.58973	1.0
91.05485	14.3
93.07041	10.0
95.04992	2.2
95.08605	1.6
97.02374	1.0
97.02887	5.6
97.06545	2.3
99.04475	2.4
103.05457	1.1
105.01872	5.3
105.07041	51.1
107.08606	8.1
109.02892	5.2
109.06542	2.9
115.05467	2.8
116.06214	1.0
116.78667	1.1
117.07024	17.2
119.08597	33.6
121.06500	4.1
121.10165	4.2
123.08111	1.9
127.03066	1.4
127.03935	9.2
128.06233	4.7
129.07016	8.2
130.07803	3.4
131.04930	2.4
131.08578	28.4
132.46548	1.0
133.10139	22.9
135.08081	2.7
135.11711	2.3
137.09622	3.0
142.07793	2.3
142.17215	1.1
143.08577	17.0
144.09358	11.1
145.04964	4.0
145.06531	1.5
145.10104	7.7
145.70592	1.1
145.84010	1.2
147.08055	4.9
147.11708	24.3
149.06042	1.2
149.09639	2.4
149.13280	5.1
154.07664	1.2
157.10173	7.2
159.02948	2.3
159.11707	100.0
161.09630	12.4
161.13263	49.0
161.14633	1.9
163.11186	2.1
165.09119	1.5
169.10162	5.0
171.11636	2.1
175.11195	5.8
177.12743	15.9
179.10658	2.1
187.11195	18.5
189.12769	4.7
195.13974	1.9
205.12260	98.0
223.13322	12.7
231.05051	3.0
232.33737	1.2
471.18390	2.3
504.04172	1.1
532.02960	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01876	2.1
55.05516	2.3
57.03423	1.8
67.05501	2.9
69.03436	5.6
69.07050	2.0
69.49050	5.8
70.06582	1.8
71.04977	2.7
72.08147	0.9
73.02892	1.8
79.05479	4.2
81.03404	4.4
81.07050	5.4
85.02908	14.5
86.09702	1.5
86.40285	0.9
87.00848	5.1
91.05479	8.3
93.07055	8.1
95.04966	2.0
95.08600	4.4
97.02900	7.9
99.04454	2.9
103.03942	1.8
105.01869	11.2
105.07035	47.7
107.08594	15.1
109.02867	6.5
109.06544	1.6
112.64961	1.0
117.06975	4.6
119.07710	1.3
119.08578	27.6
120.08080	1.5
121.06436	2.1
121.10139	5.0
123.04460	1.0
123.08064	8.5
125.09663	1.1
127.03922	14.1
131.08580	8.0
132.09222	0.9
133.10133	23.4
135.08051	2.4
135.11723	4.9
137.09633	1.8
140.00307	1.0
144.09366	2.8
145.04961	7.9
145.10109	2.3
147.11691	100.0
149.05969	2.0
149.09599	1.8
149.13263	10.2
151.07530	2.2
151.11227	2.1
153.09090	2.7
155.05847	1.1
157.10085	2.5
159.02878	3.4
159.11696	61.9
161.09561	1.3
161.13252	27.9
163.03894	0.9
163.06038	1.0
163.07513	1.2
163.11111	1.8
165.09093	1.7
165.12755	7.7
175.11200	2.4
177.12750	20.0
179.10675	9.6
179.14305	1.7
187.11148	1.0
193.12251	86.3
194.08098	1.6
195.13818	5.9
205.12248	30.9
207.13809	18.4
213.03946	1.2
221.11697	2.3
223.13306	28.7
231.05006	5.0
241.14395	2.1
249.05988	2.8
284.09790	3.7
299.49564	1.0
381.15372	1.5
506.22672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
55.01866	4.9
55.05513	10.5
57.03424	1.9
67.05501	7.6
69.03432	12.2
69.07068	10.3
69.93419	1.7
70.06554	1.9
70.51129	2.0
70.51482	4.9
71.05005	3.6
71.36375	1.7
79.05499	6.8
81.03416	10.1
81.07040	5.8
83.04980	9.4
83.08607	2.9
85.02911	23.4
87.00826	8.3
91.05476	14.9
93.07056	16.4
95.04970	11.1
95.08613	7.3
97.02894	13.4
97.06550	3.7
99.04453	6.9
105.01871	6.9
105.07030	43.2
107.08609	18.1
109.02885	10.1
109.06514	6.4
109.10165	6.6
111.08053	4.5
113.06029	1.6
117.07005	10.4
119.08585	100.0
120.08121	2.0
121.06505	4.7
121.10124	7.4
123.08073	6.5
127.03917	17.9
127.26431	1.8
128.06253	2.2
129.07001	5.3
130.07748	3.0
131.08562	15.1
133.10133	29.1
135.08047	2.2
135.11693	6.0
137.09593	14.6
141.05418	1.9
143.08603	2.8
144.09351	11.2
145.04947	5.8
145.10158	16.2
146.10873	3.0
147.08069	14.9
149.05997	3.5
149.09630	4.5
149.13263	3.9
151.07826	1.5
151.11156	3.2
153.09105	2.2
153.12762	6.4
154.61934	1.7
157.10153	3.0
159.02873	3.7
159.11703	90.7
161.09627	12.5
161.13260	89.7
163.11194	9.9
165.09090	9.2
167.10645	2.2
177.12766	29.6
179.10641	18.5
181.12344	2.3
187.11153	12.5
195.13786	13.1
197.11786	4.4
205.12227	40.0
221.11668	2.5
223.13292	75.9
231.04927	3.6
241.14388	6.5
376.63733	2.1
392.46454	1.8
395.38370	1.8
427.15994	7.2
471.18344	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	506.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.9
55.05511	9.4
56.15456	2.3
57.03437	2.4
61.02928	2.8
65.03605	1.9
67.05508	7.2
68.44506	2.2
69.03428	13.4
69.07055	7.2
70.64594	4.0
70.64967	5.4
71.04984	6.5
74.52325	2.4
76.49255	2.5
79.05495	6.0
81.03424	8.0
81.07078	6.5
83.04985	13.5
85.02924	20.6
87.00822	7.9
91.05481	16.0
93.07032	11.9
95.04961	7.3
95.08605	18.1
97.02891	9.4
97.06532	15.4
98.21378	2.6
99.04497	15.4
103.05465	2.5
105.01870	13.5
105.07037	86.2
107.08593	34.0
109.02884	13.5
109.06548	5.5
117.07018	7.3
119.08582	45.6
121.06536	5.6
121.10143	5.3
123.08068	28.0
125.09643	36.2
127.03922	23.6
129.01730	2.3
129.07002	3.2
131.08574	13.3
133.10136	7.8
135.08066	10.7
135.11700	9.5
137.09607	5.1
141.09097	24.0
143.08606	2.8
144.09372	13.2
145.05005	8.2
145.10104	9.8
147.08067	24.2
147.11525	2.6
149.05981	19.3
149.13252	4.9
151.07527	4.0
153.09122	8.2
159.02907	3.7
159.11703	83.3
161.09607	3.8
161.13272	25.3
163.07512	2.9
163.11227	8.7
165.09140	33.3
168.14169	2.7
177.12753	33.8
179.10654	4.8
187.11177	8.4
205.12256	100.0
223.13309	72.1
231.04977	13.9
301.22168	2.7
334.13324	2.5
362.28122	2.5
386.70978	2.2
462.20367	2.8
471.18604	3.5
506.23276	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	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48010	1.4
53.03942	4.7
55.01870	4.0
55.05503	5.4
57.03440	3.3
61.02918	3.4
67.05497	6.1
69.03439	16.2
69.07055	2.8
69.27109	13.0
70.06615	2.1
71.05003	18.4
73.02923	2.1
75.78571	1.4
79.05482	9.1
81.03422	12.9
81.07071	4.7
83.04991	3.9
83.62836	1.3
85.02914	38.4
86.48969	1.6
87.00845	10.7
91.05485	11.5
93.07059	15.1
95.04963	6.4
95.08596	7.9
95.43484	1.4
97.02893	17.9
97.06533	2.1
99.04453	11.1
99.08080	3.4
102.78059	1.3
103.03944	15.5
105.01864	17.9
105.07034	15.4
107.08600	72.0
109.02888	15.7
109.06512	2.8
109.10171	5.4
111.04459	2.4
111.08088	3.2
117.07030	5.0
119.08589	31.1
121.06507	8.1
121.10155	5.9
123.04458	8.6
123.08080	61.1
125.05997	2.2
125.09626	3.5
127.03925	44.6
129.01913	1.8
131.08612	4.0
133.10165	6.9
135.04375	1.7
135.08057	27.5
135.11700	18.7
135.74072	1.5
137.06001	1.9
137.09602	3.9
138.01846	1.3
139.07541	3.3
141.05466	2.8
143.08575	1.7
144.09355	4.0
145.04962	20.8
145.10167	2.2
147.08052	5.7
149.05986	5.5
149.13280	1.7
151.07552	9.3
153.09120	36.4
159.02863	6.1
159.11705	35.0
161.09692	7.6
161.13239	7.8
163.06042	10.5
163.07545	4.0
163.11188	11.1
165.09126	11.9
167.07008	2.4
170.16577	1.3
171.32675	1.9
177.12766	15.0
179.10687	32.8
181.08578	8.4
181.12268	2.3
183.10178	3.1
187.11224	7.1
189.47316	1.4
195.13866	2.7
197.11722	5.5
205.12260	56.8
223.13310	100.0
231.04994	10.6
235.37294	1.6
241.14337	17.4
249.06125	5.1
271.07962	3.0
284.09744	10.1
307.10275	4.4
328.73227	1.5
385.05484	1.6
423.74472	1.7
471.18829	1.9
506.22565	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	506.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.1
55.01870	5.0
55.05505	7.7
57.03427	2.8
57.07080	2.3
61.02922	2.0
65.03914	2.5
67.05505	42.3
69.03433	12.5
69.07066	5.1
71.04997	4.8
71.51852	2.3
79.05497	21.5
81.03422	17.6
81.07064	43.5
83.04967	2.5
83.08605	3.2
85.02910	42.8
85.06546	4.2
87.00836	15.4
91.05469	8.9
93.06488	2.5
93.07046	33.0
95.04949	2.5
95.08615	38.7
97.02915	15.6
97.06532	8.0
97.10161	3.8
99.04438	7.2
105.01864	18.2
105.07015	10.1
107.08605	22.9
109.02900	16.0
109.10163	35.3
111.08102	2.5
113.09615	2.4
114.09105	2.5
117.06988	3.0
119.08572	6.9
121.06466	5.3
121.10149	22.9
123.08083	2.7
123.11695	7.6
127.03918	25.7
127.07586	2.8
130.32779	1.9
131.08543	11.9
133.10126	5.8
135.08084	9.3
135.11661	3.5
139.07536	2.7
143.08528	2.7
145.04970	9.9
145.10135	11.2
147.11678	2.2
149.09604	12.2
153.09076	3.1
159.02850	5.2
159.11739	2.0
161.13234	2.5
163.11172	4.3
163.14848	17.0
165.09138	3.1
166.09404	2.3
167.10683	6.7
167.90755	2.0
177.16362	5.7
181.12274	5.1
187.14832	28.0
205.15881	20.4
223.16943	100.0
231.05032	5.5
241.18010	2.6
249.06053	2.7
259.09738	3.4
278.55389	1.8
287.89169	2.2
328.23758	2.2
331.19080	3.3
347.50882	2.1
349.20074	3.4
386.62256	2.4
391.21191	3.3
392.17990	2.6
417.41641	2.0
435.20163	5.2
453.21509	3.0
506.27249	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	506.3236
Annotation	(-)-Terpendole D
Peak:m/z	Relative Intensity
51.52417	0.4
53.03942	0.5
55.05523	2.1
56.05034	1.6
57.03421	1.1
57.07073	0.6
58.06607	1.3
60.08165	17.6
65.03930	0.6
67.05183	0.7
67.05509	9.1
69.07062	1.6
69.92806	0.9
69.93210	2.0
70.06596	0.5
71.07381	5.2
79.05489	2.5
81.07056	6.4
83.08617	1.7
84.42826	0.4
86.09708	50.9
91.05495	2.3
93.07040	3.5
95.08610	4.6
97.06546	0.7
98.98461	4.5
104.10745	100.0
105.07047	2.2
107.08597	1.6
109.10165	4.0
110.10469	0.9
112.31366	0.4
119.08595	2.2
121.10149	1.0
123.11694	0.7
125.00008	27.3
133.10106	1.9
135.11667	0.9
137.13336	0.5
147.11646	1.4
148.11984	0.5
149.13219	0.5
161.13248	1.0
163.01595	0.8
174.12103	0.5
184.07344	95.7
217.19534	2.2
219.64885	0.5
229.14291	1.8
230.14661	1.2
235.20630	3.1
241.19530	0.7
242.19899	0.9
258.11078	0.9
259.20612	1.1
260.21005	1.3
309.24301	0.9
323.25833	1.0
334.24426	1.0
335.25772	2.0
467.54431	0.5
488.31223	9.3
506.32419	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	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77833	0.1
55.05509	0.3
55.81936	0.1
56.05030	0.5
57.03428	0.1
58.06628	0.5
59.07393	0.1
60.08166	5.6
65.03932	0.2
67.05507	0.8
69.07070	0.3
71.07379	3.3
75.37940	0.1
79.05491	0.3
81.07082	0.7
83.08619	0.2
86.09708	29.4
91.05486	0.3
93.07027	0.3
95.08590	0.4
98.97864	0.2
98.98471	2.9
104.10745	2.6
105.07063	0.2
125.00008	20.9
147.11708	0.1
183.57793	0.1
184.07343	100.0
185.07689	0.2
229.42290	0.1
258.11029	0.2
320.07773	0.1
323.25665	0.3
334.24405	0.3
488.31406	1.2
506.25369	0.2
506.32458	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.4
55.05521	21.9
56.05040	4.1
57.07087	5.4
59.05000	3.9
67.05513	34.4
69.07078	42.3
69.92799	14.9
71.05014	3.5
79.05508	18.8
81.07066	98.8
83.04969	3.9
83.08624	10.0
84.04511	100.0
84.08144	3.7
85.02907	6.3
85.06563	4.1
86.09703	5.6
91.05498	8.6
92.06565	2.6
93.07056	36.7
95.04984	6.4
95.08616	74.1
97.06530	9.2
97.10174	20.3
99.08103	4.9
100.11262	5.3
102.05544	52.6
105.07051	21.5
107.08598	43.4
109.10172	30.4
111.08077	7.2
111.11740	6.1
119.08597	17.1
121.10128	21.3
123.08092	4.5
123.11718	69.6
127.04008	3.2
130.05002	60.7
133.10149	15.2
135.11707	18.2
137.13278	20.0
139.11195	10.2
141.12749	3.8
145.10091	3.4
147.11687	16.1
148.04868	4.4
148.06056	87.4
149.13266	36.3
157.10107	3.8
157.12297	4.1
159.11696	7.8
161.13255	10.4
163.03934	2.8
163.14870	8.7
165.12750	5.3
171.13780	4.0
173.13272	2.9
175.14795	4.5
203.12794	7.3
275.23676	6.1
286.16528	13.8
287.23795	16.2
293.24753	6.6
298.16370	8.5
300.17999	3.5
305.24731	30.2
314.16147	6.9
316.17606	34.3
327.29123	3.2
328.17538	3.5
340.21707	3.0
354.23190	2.9
394.29724	4.8
406.29553	6.5
422.29047	24.3
424.30502	3.9
434.29010	25.7
440.30182	29.7
452.30026	19.1
458.31027	11.7
470.31140	6.4
488.32462	5.6
522.99469	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	507.1136
Annotation	Quercetin-3-O-glucose-6''-acetate
Peak:m/z	Relative Intensity
50.25470	0.1
52.92328	0.2
53.03950	2.7
55.01869	0.4
57.03432	0.9
61.02924	0.8
63.36651	0.1
65.03933	0.2
68.99789	0.6
69.03432	8.8
69.30536	0.8
69.30943	0.5
71.04974	0.7
73.02917	0.9
81.03419	12.4
85.02906	5.1
86.09695	0.2
93.03403	0.3
93.07038	0.2
95.04948	0.2
97.02891	4.3
98.20792	0.3
99.04450	2.0
103.03909	0.2
109.02882	8.6
111.00794	0.7
115.03937	0.2
119.08455	0.2
121.02866	0.6
123.04469	0.2
127.03919	7.2
128.58273	0.2
133.04958	0.3
133.06485	0.2
137.02342	2.4
142.09801	0.1
145.04967	1.5
145.06094	0.2
145.06566	0.2
149.02321	0.3
151.03900	0.2
153.01840	2.8
158.17856	0.2
161.06004	0.3
163.03888	0.8
165.01836	1.7
166.02609	0.4
172.02353	0.2
173.06010	0.4
183.02887	0.9
183.04382	0.3
183.45744	0.2
187.06024	7.9
201.05458	1.7
205.05017	0.2
205.07005	0.3
207.02982	0.3
219.06519	0.2
229.04970	4.0
229.06743	0.1
247.06091	0.6
257.04456	2.3
274.04800	0.8
285.03928	1.1
295.30289	0.1
303.04987	100.0
304.05347	0.6
311.33572	0.2
345.06131	0.2
361.85703	0.2
411.07172	0.2
435.24750	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69815	1.7
50.97797	1.9
53.03938	3.4
55.05512	6.3
56.96541	1.9
57.03423	2.5
57.07067	3.5
59.66011	1.9
61.97982	2.2
67.05496	6.8
69.03436	5.9
69.07084	3.6
70.28038	6.3
72.08147	1.9
77.03944	2.8
79.05495	10.8
81.03414	7.4
81.07060	16.0
83.04967	5.1
83.08618	3.3
85.02920	15.3
87.00826	7.0
91.05499	15.7
93.07053	25.5
95.04990	4.2
95.08625	10.1
97.02919	5.0
99.04453	3.2
105.01871	8.5
105.07043	44.9
107.08593	36.5
109.02882	7.5
109.06527	3.9
109.10155	2.5
117.07031	5.8
119.08585	32.2
121.06459	2.9
121.10160	7.6
123.08050	3.6
127.03921	10.8
131.08559	9.2
133.06506	3.7
133.10153	21.8
135.08067	6.4
135.11713	9.5
137.05965	6.2
139.07559	6.0
144.09319	3.2
145.04962	4.1
145.06447	2.9
145.10080	6.6
147.11707	25.8
149.05972	5.2
149.13283	3.6
151.07530	21.9
153.09093	5.8
157.10083	2.6
159.11703	48.3
160.12018	3.6
161.09590	3.1
161.13251	21.5
163.07535	7.3
165.12730	2.8
167.07022	6.0
175.11197	9.5
177.12759	14.8
179.10645	14.0
179.14270	3.1
181.08603	3.7
187.11198	6.6
193.12283	29.3
195.13707	2.2
205.12230	28.1
211.11554	2.5
211.13304	12.2
219.10425	2.3
223.13304	97.8
224.13612	4.2
231.05070	3.2
241.14351	100.0
252.50177	2.2
259.15521	3.6
453.91101	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	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64635	0.8
53.03928	1.1
53.50774	0.8
53.90646	0.7
55.05274	1.0
55.05518	9.6
55.37922	0.9
56.90820	0.8
57.03444	8.5
60.98220	0.8
67.05509	34.3
69.07067	7.8
69.43383	5.7
71.05007	0.9
73.55964	0.9
79.05498	17.7
79.19103	0.8
81.07064	31.9
83.04975	0.9
83.08629	2.5
85.06528	0.8
91.05482	9.1
93.07058	20.8
95.04984	1.6
95.08612	27.7
97.06499	1.1
98.21487	1.8
98.98473	23.9
105.03394	1.2
105.07035	6.0
107.08594	11.2
109.10163	8.6
111.08097	1.0
117.07032	2.1
119.08573	3.9
121.10146	8.6
121.92715	0.9
123.11716	4.0
131.08560	3.9
133.10120	5.0
135.11688	5.2
145.10123	1.4
147.11697	2.9
149.13283	2.0
155.01074	2.2
159.11732	1.9
161.13266	1.9
163.14896	1.0
173.02165	2.8
173.13330	1.5
175.14780	0.8
177.16405	1.0
229.14226	0.9
237.24907	0.8
243.21071	1.7
247.05817	1.3
253.52179	0.9
261.22137	4.3
317.24707	1.7
335.25818	100.0
389.93964	0.9
489.35666	1.3
507.35776	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.05500	5.7
56.46685	1.0
57.03442	7.9
57.07069	1.9
66.91109	1.3
67.05505	25.7
68.92828	1.1
69.07074	7.7
71.07361	1.2
71.52545	1.3
79.05495	20.2
80.51074	1.1
81.03406	1.5
81.07057	37.8
83.04973	1.5
83.08602	4.2
85.06521	1.5
85.37721	1.1
89.15623	1.3
91.05476	10.5
93.07040	19.8
93.07635	1.1
95.04942	1.4
95.08609	24.3
97.06515	3.9
97.10147	2.2
98.98473	10.4
105.07049	8.0
107.08590	12.9
109.06551	1.4
109.10157	12.7
117.07024	4.6
117.80405	1.3
119.08582	6.3
121.10154	13.5
123.11718	4.6
129.05487	2.0
131.08546	5.6
133.10121	5.7
135.04395	2.5
135.11652	8.0
145.10121	5.3
147.11687	3.5
149.13257	2.8
155.01053	3.5
159.11699	4.1
161.13255	3.5
163.03934	6.7
163.11246	1.8
163.14813	2.1
173.02177	1.4
173.13304	3.1
175.14806	1.6
177.16458	1.4
227.12773	3.2
243.21068	10.3
261.22162	6.4
281.17548	2.2
291.23416	1.3
300.67361	1.2
317.24792	5.3
335.25797	100.0
470.63297	1.2
476.89484	1.2
489.28543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3684
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
53.03936	2.7
54.53783	1.3
55.01868	2.2
55.05511	19.5
57.03439	6.9
57.07085	13.8
59.04995	2.2
60.82211	1.0
65.03941	3.3
67.05508	100.0
69.06737	1.4
69.07077	19.7
69.63883	5.6
71.04987	4.2
71.08626	5.5
79.05072	2.0
79.05500	29.3
81.03429	1.9
81.07063	65.8
83.04980	3.2
83.08621	18.3
83.11935	1.1
85.06538	4.1
85.10186	4.1
91.05487	21.0
93.07049	35.2
95.04980	2.7
95.08616	48.2
97.06520	4.1
97.10176	16.0
99.08108	1.3
105.07034	16.7
107.08598	22.8
109.06522	1.7
109.10167	59.1
111.08092	4.4
117.07018	7.3
119.08595	14.9
121.10144	17.2
123.11682	8.3
125.09628	6.9
129.07042	2.2
131.08565	13.1
133.10149	13.8
135.08122	2.6
135.11707	15.5
136.06111	1.8
137.09616	2.6
137.13242	3.5
139.11191	2.7
143.08566	2.2
145.10165	11.0
147.11690	8.6
149.09650	2.9
149.13261	10.7
153.53052	1.2
155.10655	3.6
157.10138	2.6
159.11713	8.8
161.13275	5.2
163.14828	3.4
171.10266	1.7
171.11578	2.4
173.11748	10.8
173.13278	6.7
176.99249	1.5
177.12737	1.5
187.14836	4.7
189.11200	5.9
195.00278	3.7
195.13805	3.5
197.13191	1.3
199.14832	1.9
201.16394	1.8
213.14743	1.6
213.94250	1.2
227.12779	8.3
229.14372	38.9
231.15947	1.6
239.23741	1.7
241.19496	1.6
243.21040	4.2
250.72206	1.3
255.55431	1.2
259.20587	2.8
261.22119	25.2
278.72620	1.2
279.23227	1.2
313.27411	2.3
315.93472	1.3
317.24823	4.6
333.23846	1.1
335.22076	1.6
335.25836	24.2
379.29712	2.3
387.32550	1.3
397.31027	7.2
415.32013	7.0
431.31558	1.3
433.33072	3.4
449.32587	1.6
471.34644	4.5
489.35773	48.8
507.26395	4.9
507.36823	24.5
507.39633	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	507.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01867	2.6
55.05268	2.5
55.05515	24.3
55.75142	1.5
56.40855	2.1
57.03439	9.4
57.07083	19.9
59.04985	3.3
59.36750	1.7
65.03938	3.3
66.88864	1.6
67.05506	100.0
69.07066	18.3
69.83127	7.1
71.04976	3.9
71.08627	13.0
79.05495	35.4
81.03413	8.1
81.07059	76.2
82.03726	2.3
82.51120	1.9
83.04982	3.1
83.08628	19.4
85.06539	4.6
85.10174	7.6
91.05483	20.2
91.23435	1.5
93.07047	35.8
95.04988	3.8
95.08607	44.1
96.39223	1.9
97.06514	3.7
97.10151	15.6
99.08057	3.2
105.07027	16.3
107.08590	24.7
109.10158	51.6
111.08052	3.0
113.41246	1.8
117.07009	6.4
119.08584	17.0
121.10166	17.8
123.08029	2.7
123.11710	9.6
125.09629	7.9
129.07040	3.1
131.08553	14.3
133.10130	13.3
135.08118	1.7
135.11676	13.5
137.13272	3.8
143.08507	3.9
145.10121	10.0
146.39171	1.9
147.11697	8.9
149.13268	16.9
155.10646	2.2
157.10056	2.1
159.11708	13.5
161.13257	6.1
163.14801	3.5
169.10112	1.9
171.11719	3.6
173.11749	12.9
173.13269	9.1
176.99257	6.0
177.12843	1.9
181.10039	1.5
185.13289	1.7
187.14716	3.9
189.11243	8.0
193.12183	2.8
194.12546	3.1
195.00294	16.8
195.13831	2.8
199.14748	2.8
213.14799	2.0
227.12764	8.4
229.14351	31.4
239.23669	2.4
243.21074	4.3
259.20401	1.7
261.22202	24.5
313.27332	7.2
317.24747	5.3
335.25806	20.7
379.29916	3.8
397.30899	6.8
415.32037	6.4
433.33234	4.8
471.34430	3.7
489.25552	2.4
489.35818	47.2
507.26706	46.5
507.39478	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.203
Annotation	Unknow
Peak:m/z	Relative Intensity
65.25088	0.3
66.98714	0.3
70.07009	0.4
70.07409	0.7
79.05487	0.6
85.02929	0.9
89.14444	0.3
93.07051	1.2
97.02898	0.5
103.05466	5.7
104.07102	0.3
105.05453	0.3
107.04971	1.4
120.08112	100.0
121.08367	0.4
127.03884	0.7
129.13889	0.3
131.04922	2.4
136.06213	0.6
149.05994	1.7
155.74576	0.3
164.33778	0.3
166.08649	57.3
170.68607	0.3
207.13982	0.4
270.53964	0.3
346.11288	0.4
346.15335	0.3
456.29639	0.3
506.73807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25378	3.5
55.05508	16.5
57.03443	4.5
67.05498	14.8
69.03424	16.5
69.07065	7.9
70.06596	5.1
70.91212	7.8
71.04986	14.6
79.05498	9.6
81.03412	13.0
81.07055	13.4
81.39133	3.3
83.04988	12.4
85.02926	23.6
87.00817	8.8
87.20735	3.7
91.05480	13.4
93.07040	19.0
95.04970	13.0
95.08607	13.6
97.02906	12.2
97.06548	4.2
99.04446	11.2
105.01881	7.7
105.07036	30.7
107.08585	41.8
109.02868	8.8
109.06528	10.5
109.10158	19.8
117.07018	11.8
119.08576	31.7
120.08098	3.5
120.08925	4.3
121.10152	27.1
123.08057	15.9
123.11668	5.2
127.03907	22.2
129.06996	6.1
131.08575	17.6
133.10126	16.1
135.08041	5.1
135.11694	6.0
137.09598	15.6
144.09348	13.3
145.04971	7.0
145.10143	10.1
147.11694	9.8
149.09610	15.0
151.11136	5.6
153.12700	7.3
155.10660	4.9
157.10252	4.0
159.02820	3.3
159.11690	86.1
161.13286	23.4
162.13538	4.1
163.11176	15.1
167.10670	13.1
171.11736	5.1
177.12741	32.5
181.04945	12.3
181.84503	3.3
184.06863	3.8
189.12772	33.6
195.13760	22.2
205.12289	6.8
207.13821	100.0
223.13271	5.4
225.14914	37.3
231.05080	6.9
250.90413	3.6
329.06952	6.2
339.18085	4.1
339.58701	3.8
367.61755	3.7
406.52966	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	508.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01864	3.2
55.05271	1.3
55.05514	13.8
57.03443	4.7
57.07072	0.8
59.41920	0.7
62.06077	0.9
65.03941	0.9
67.05507	19.2
69.03424	2.7
69.07071	10.1
69.30013	0.7
69.90573	3.1
71.08636	16.0
79.05496	13.5
81.03417	5.0
81.07054	13.0
83.04977	2.9
83.08621	6.4
84.76172	0.7
85.06563	0.9
91.05478	8.2
93.07046	9.4
95.04967	5.2
95.08611	6.1
97.02911	0.9
97.06550	1.6
97.10184	9.2
98.98482	2.8
99.08094	10.9
103.03958	0.8
105.07026	6.3
107.04971	2.0
107.08598	9.1
108.49435	0.7
109.06512	2.9
109.10162	7.8
111.04406	1.4
111.08069	1.1
115.05485	1.1
117.07027	2.5
119.08592	3.4
121.06542	1.8
121.10161	3.0
123.04432	0.9
123.08099	1.6
123.11714	1.3
125.09631	6.3
131.08572	2.2
133.10141	6.5
135.08043	1.9
135.11690	1.9
137.09630	1.4
139.11192	1.4
145.10162	0.9
147.08064	0.7
147.11705	1.6
149.09601	1.7
151.07535	0.8
151.11131	3.7
163.11208	1.6
164.11882	0.7
165.12828	1.1
167.10712	1.5
173.11711	0.7
177.12796	2.5
183.10207	0.8
189.11243	2.8
193.12254	1.1
195.13875	1.2
198.05225	0.8
211.47424	0.6
216.06409	1.3
227.12796	2.0
229.14189	1.0
247.20499	1.0
267.15961	1.8
275.20099	6.0
293.21103	52.6
318.24399	1.9
336.25381	4.5
349.23737	2.9
367.24799	100.0
429.20508	2.7
447.21515	2.9
490.25500	1.5
508.27069	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15088	0.1
55.05516	0.5
56.05033	0.7
57.03428	0.3
57.07072	0.1
58.06614	0.2
60.08167	5.9
67.05501	0.5
69.07079	0.6
69.80241	0.7
71.07377	2.5
79.05500	0.3
81.07065	0.3
83.08632	0.4
86.09708	29.4
93.07066	0.2
95.08583	0.3
97.10170	0.2
98.98471	2.9
104.10745	2.8
115.85373	0.1
118.54887	0.1
121.10166	0.3
125.00008	20.7
147.04420	0.2
166.06300	0.2
184.07346	100.0
185.07672	0.2
231.65683	0.1
250.06985	0.1
257.75449	0.1
258.11053	0.1
325.27264	0.2
336.26126	0.2
337.27393	0.2
490.32956	1.0
508.33939	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	508.3402
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
50.45154	0.7
55.05522	4.0
55.05754	0.6
55.64698	0.6
57.03435	2.1
57.07073	2.0
58.06617	2.0
60.08163	16.5
67.05501	3.7
68.81268	0.6
69.07077	4.3
69.93169	3.2
71.07370	6.2
71.08627	0.9
72.04518	1.0
79.05494	2.2
80.21230	0.7
81.07051	6.1
83.08616	2.6
86.09711	52.2
89.46574	0.7
91.05486	1.1
93.07047	2.5
95.08622	3.7
97.06529	0.9
97.10195	1.4
98.21482	0.7
98.98483	3.8
104.10751	98.0
107.08614	0.9
109.10171	1.6
120.25361	0.8
121.10150	2.8
123.11735	1.9
123.15769	0.6
125.00007	26.6
135.11699	1.8
136.10478	0.8
147.04442	1.9
149.13263	1.1
150.06793	0.7
184.07353	100.0
195.00331	0.9
197.00700	1.1
219.21092	2.9
237.22125	4.3
255.23154	0.9
258.11075	0.9
311.25851	4.3
325.27301	1.9
329.26840	2.6
337.27402	2.5
490.32898	9.3
508.34000	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60183	0.7
58.84344	0.8
60.43543	0.8
70.90115	1.7
76.74108	0.9
94.93017	100.0
112.50640	0.8
159.00795	1.1
166.91454	70.8
354.30844	0.8
381.07968	24.8
437.93918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2751
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
50.70023	0.9
51.02357	0.9
53.00303	3.2
53.03938	4.5
55.01870	7.6
55.05516	23.3
57.03433	7.7
59.05007	3.0
65.03944	2.1
67.05508	30.3
68.06799	1.2
69.03425	5.7
69.07069	6.8
71.01342	2.5
71.04993	5.6
71.52918	1.7
73.18082	1.0
79.05497	30.5
81.03421	45.9
81.07056	33.6
82.12224	1.1
83.04986	12.1
83.08624	20.2
85.02907	17.4
85.06512	1.4
91.05486	37.5
93.07047	26.6
95.04977	20.0
95.08616	10.9
97.02909	5.5
97.06555	6.7
97.10164	5.6
99.00822	13.0
103.05510	2.3
105.07032	31.5
106.77557	1.0
107.04966	12.0
107.08599	13.8
109.02895	8.7
109.06517	5.5
109.10152	9.9
111.04436	5.3
111.08086	10.2
113.05996	1.5
115.03918	2.0
115.05474	2.1
117.07017	7.2
119.04936	2.0
119.07807	1.7
119.08591	19.9
121.02908	1.4
121.06496	7.6
121.10137	9.0
123.04431	1.9
123.08081	3.7
123.11715	3.9
125.09634	5.1
127.03902	2.1
128.06195	2.5
129.07025	7.3
131.08554	9.5
133.06483	3.4
133.10136	34.5
135.08069	2.8
135.11717	5.4
137.06076	1.1
137.09630	3.4
139.07552	1.8
142.07785	2.7
143.08556	4.7
145.10126	5.3
147.08081	4.2
147.11720	8.2
149.09622	4.1
151.11203	8.5
153.12788	1.7
157.10155	8.4
161.09624	16.2
163.11176	5.7
165.09093	1.3
165.12726	2.3
171.08098	2.7
173.11885	1.3
175.11157	9.4
179.10674	9.9
189.09137	7.8
189.11064	2.0
191.10634	1.7
193.12262	35.3
197.11716	3.0
205.07103	1.1
207.10133	3.4
209.11768	2.5
211.13303	51.7
219.13643	2.4
225.11235	12.0
227.12836	4.7
229.14365	1.1
243.12225	2.2
267.15903	7.8
281.13770	2.7
283.15402	3.0
285.17047	1.4
299.14853	5.9
390.74637	1.3
417.23096	1.5
459.27234	1.5
463.26816	2.0
473.25284	3.5
491.25995	9.4
509.27463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2748
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.78818	1.1
53.00305	2.3
53.03946	6.4
54.91006	1.2
55.01870	7.9
55.02084	1.2
55.05265	2.1
55.05510	25.0
57.03436	9.5
57.07085	1.5
59.05014	1.8
63.30864	1.2
65.03929	2.6
67.05505	39.4
69.03423	5.9
69.07074	9.2
71.01344	3.7
71.04990	5.9
71.52126	1.2
73.02943	1.6
79.05492	35.1
81.03416	49.0
81.06593	3.0
81.07056	48.3
83.04970	12.7
83.08157	1.8
83.08623	25.6
85.02901	24.2
91.05482	44.7
93.07043	29.0
95.04975	29.6
95.08610	14.0
97.02898	6.2
97.06526	7.7
97.10141	9.5
99.00810	8.3
99.08080	1.9
105.04533	1.7
105.07032	33.1
107.04958	9.7
107.08594	21.3
109.02866	8.3
109.06512	8.3
109.10155	22.0
111.04449	5.4
111.08089	8.4
113.06046	3.5
115.03979	1.8
117.07013	7.5
119.08582	18.4
121.06464	6.6
121.10157	9.0
123.04430	5.5
123.08057	4.7
123.11725	4.3
125.09655	6.4
127.03941	1.8
128.06226	2.9
129.07014	8.0
131.05014	1.3
131.08566	11.8
133.02818	3.2
133.06587	3.1
133.10135	34.9
135.08058	4.0
135.11736	4.2
137.06007	1.9
137.09550	1.7
139.07527	2.3
142.07802	2.5
143.08603	3.3
145.10104	4.2
147.08061	4.4
147.11676	11.8
149.05936	1.4
149.09642	4.4
151.03917	2.2
151.11188	12.1
153.09120	1.7
157.10112	9.1
161.09615	10.6
161.13258	1.7
163.11223	5.1
165.09157	2.0
165.12744	1.6
169.10112	1.7
169.12257	3.2
171.08060	2.7
173.13252	1.8
175.11169	9.6
179.10690	5.8
189.09140	4.5
189.11198	2.4
193.12231	41.6
193.13876	2.7
207.10089	1.6
209.11765	3.1
211.13295	50.3
219.13853	2.1
221.06047	1.9
225.11200	9.2
227.12767	7.2
227.52766	1.4
243.12198	2.8
249.14995	1.4
253.14224	1.7
267.15903	11.0
281.13840	2.8
283.15353	2.7
295.06088	4.3
299.14975	5.4
299.75052	1.3
373.23621	1.9
399.21570	1.5
450.43097	1.4
459.27679	2.8
473.25406	1.7
477.28589	1.6
491.09448	2.7
491.26016	10.1
509.27448	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2748
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.00304	5.3
53.03957	6.8
55.01890	5.8
55.05515	26.5
57.03436	8.4
59.05004	2.5
65.03937	2.1
67.05511	32.2
69.03445	6.7
69.07075	8.8
71.01350	1.3
71.05003	6.4
71.53023	2.0
73.02909	1.0
79.05500	28.8
80.05865	1.1
81.03426	50.9
81.07062	35.2
83.04987	14.8
83.08628	25.2
85.02914	21.2
85.03390	2.4
85.06548	3.4
91.05489	48.1
92.07566	1.2
92.11173	1.2
93.07052	28.9
95.04976	23.6
95.08611	13.5
97.02908	7.1
97.06526	6.1
97.10178	9.1
99.00822	12.2
99.04401	1.5
99.08092	2.1
101.02393	1.1
103.05498	1.6
105.04588	1.3
105.07041	30.9
107.04961	10.7
107.08601	15.6
107.49674	1.3
109.02896	10.6
109.06532	5.9
109.10165	9.8
111.04452	3.8
111.08075	12.9
113.06029	2.4
115.03947	2.5
117.07029	5.0
119.04990	1.4
119.08591	23.0
121.06503	9.3
121.10155	7.8
123.04454	2.4
123.08067	4.2
123.11703	4.4
125.09639	4.5
127.03929	3.6
128.06244	2.2
129.06999	9.0
131.08562	10.8
133.06517	3.4
133.10139	35.3
133.11111	2.5
135.08041	2.1
135.11716	3.7
137.05991	2.4
137.09605	2.8
139.07524	2.8
142.07811	1.8
143.08586	5.6
145.06529	1.3
145.10141	4.7
147.08058	3.2
147.11685	10.1
149.09634	4.7
151.11226	10.5
153.12756	1.4
157.10127	10.0
161.09631	15.8
163.11198	6.4
165.09140	3.6
165.12776	2.6
171.08076	2.8
173.09634	1.7
175.11191	10.0
179.10631	8.0
181.12267	1.4
183.11600	1.5
189.09154	8.7
189.11227	3.4
193.12257	41.3
193.54144	1.2
197.11792	3.7
207.10292	2.9
209.11832	2.8
211.13301	55.6
213.42781	1.2
219.13821	2.1
225.11243	13.8
227.12849	5.8
243.12196	1.4
267.15958	5.0
281.13907	4.6
283.15460	3.2
285.16861	2.1
299.14932	4.6
368.25317	1.6
380.75970	1.3
443.01294	1.2
445.26282	1.8
463.27466	1.5
491.26361	8.3
509.27512	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.9
55.05270	1.1
55.05515	12.5
57.03441	6.9
57.07067	2.6
59.16471	0.7
67.05508	27.6
69.06729	1.2
69.07071	15.3
69.80362	3.9
79.05500	7.7
81.07058	26.1
83.04971	0.9
83.08625	7.0
86.09701	2.6
91.05502	4.3
93.07050	7.5
95.08612	19.5
97.06523	1.2
97.10168	3.1
98.98471	18.2
104.10741	2.5
105.07034	2.9
107.08604	3.3
109.06525	0.8
109.10150	6.8
111.11706	0.9
119.08585	1.9
121.10165	3.2
123.11706	3.2
125.00008	1.6
133.10144	2.7
135.11690	2.3
137.13231	0.9
147.11713	1.5
149.13243	0.9
151.14861	0.9
155.01050	2.7
161.13274	1.5
173.02098	3.3
184.07359	5.4
192.33691	0.8
229.04720	0.8
229.21594	0.7
245.22708	1.0
247.05742	0.9
259.48230	0.8
263.23712	2.3
281.26807	0.8
337.27380	100.0
338.27997	1.0
339.14215	0.7
428.77609	0.7
473.26617	1.6
509.34485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00390	0.7
53.03925	0.8
55.05275	0.9
55.05518	12.1
57.03441	6.7
57.07069	1.9
58.86456	0.8
60.08163	1.4
67.05508	25.7
69.06734	1.3
69.07074	14.7
69.34679	1.2
69.35081	4.3
71.04996	0.8
71.07353	0.8
73.61312	0.7
76.35523	0.7
79.05503	7.0
81.07059	27.5
83.04956	0.8
83.08616	7.4
86.09695	2.6
87.10042	1.1
91.05470	5.0
93.07047	6.8
95.08607	23.3
95.22212	0.8
97.06532	1.9
97.10172	4.5
98.72854	0.7
98.97872	1.4
98.98473	19.8
104.10743	7.9
105.07025	4.4
105.11078	2.6
107.08622	4.4
109.10153	7.3
111.08083	0.9
119.08572	2.6
121.10172	3.8
123.11706	3.5
125.00003	2.1
129.83643	0.8
133.10129	3.3
135.11690	1.9
137.13245	2.0
147.11639	1.8
149.13281	0.8
155.01042	2.6
161.13315	1.1
173.02150	3.4
175.06190	0.8
175.14880	1.0
184.07320	5.7
185.07635	1.7
244.03891	0.7
245.22581	1.0
263.23782	1.7
272.00705	0.9
337.27377	100.0
496.59985	0.9
509.34314	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	13.2
55.01865	19.8
55.05273	5.5
55.05516	71.9
56.12458	4.5
57.03423	11.8
59.04996	7.6
67.05510	100.0
69.03432	10.7
69.07064	28.8
69.81832	16.9
69.82243	6.4
71.04974	14.1
71.08616	4.2
74.11037	4.4
79.05494	89.4
80.26068	4.1
81.03423	48.5
81.07058	91.5
83.04987	23.4
83.08625	36.7
85.02898	14.9
85.06565	5.3
91.05482	64.5
93.07041	83.7
95.04975	43.7
95.08618	35.0
97.02894	4.7
97.06532	20.3
97.10163	48.3
98.21455	5.0
99.04470	4.1
99.08096	5.7
105.07030	50.5
107.04955	48.8
107.08597	57.7
109.02859	8.1
109.06503	34.4
109.10172	39.6
111.04417	9.7
111.08073	14.9
115.05406	5.0
117.07021	25.6
119.08594	30.3
121.06490	29.1
121.10135	24.3
123.04428	8.4
123.08069	14.1
123.11678	10.3
125.09645	43.9
129.06967	15.9
131.04915	7.7
131.08566	33.8
133.06490	9.0
133.10126	29.9
135.04388	6.6
135.08061	15.1
135.11688	16.8
137.09627	6.0
139.11151	4.3
141.07019	7.1
143.08556	8.1
145.06453	12.0
145.10094	21.6
147.08043	7.1
147.11676	13.9
149.09610	11.6
151.11148	5.9
153.09100	9.7
153.12714	4.6
155.08569	10.1
157.10124	10.3
159.08046	6.5
159.11647	8.0
161.09572	4.8
163.11156	28.8
167.10767	8.0
173.09682	8.8
173.11780	4.3
173.13205	7.0
175.11157	9.1
181.12146	5.1
189.11272	25.3
189.12695	7.4
191.10706	9.3
191.14322	10.3
193.12256	18.9
195.11552	4.5
199.13275	10.1
209.11797	6.7
211.13242	8.8
217.12257	4.8
219.13797	32.5
227.12753	29.2
233.15350	8.9
255.13544	4.9
267.15894	15.8
273.14624	9.9
273.17126	11.5
275.16638	5.1
283.15442	19.2
293.17548	15.5
339.23312	5.9
349.21487	13.4
367.22464	31.3
368.25162	27.9
385.23785	46.8
389.23087	6.1
399.21307	5.5
403.24734	14.8
437.25403	8.3
441.26230	12.2
459.27362	75.9
463.26932	5.0
473.25238	7.6
477.28519	48.4
491.26465	16.2
491.29602	14.5
509.26956	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	509.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.7
55.01871	20.9
55.05272	5.2
55.05513	70.9
57.03425	16.6
57.07082	4.7
59.04999	6.9
67.05181	6.6
67.05509	86.6
69.03413	14.3
69.07078	26.9
69.74508	22.5
71.04987	23.1
79.05495	92.4
81.03420	48.7
81.07063	100.0
83.04976	24.2
83.08609	36.9
85.02904	8.8
85.06542	10.8
91.05493	67.9
93.07052	82.8
95.04971	52.2
95.08619	40.1
97.02893	6.9
97.06522	13.9
97.10170	51.5
98.21542	5.2
99.04457	5.6
99.08078	6.9
105.07044	45.3
107.04949	47.8
107.08614	57.6
109.02872	4.6
109.06524	31.1
109.10156	28.8
111.04426	14.6
111.08082	12.3
117.07033	16.7
119.04954	7.3
119.08584	32.3
121.06511	31.4
121.10166	35.2
123.04490	5.3
123.08076	10.7
123.11706	4.0
125.09650	47.9
128.68439	4.1
129.05450	3.7
129.06978	13.3
131.04961	5.8
131.08568	32.2
133.06502	8.2
133.10153	23.4
135.08104	24.2
135.11717	21.9
137.09651	6.3
139.07495	5.8
139.11201	5.9
143.08556	12.0
145.06496	14.6
145.10147	26.4
147.04305	6.0
147.08081	12.3
147.11690	16.1
149.09598	17.1
149.13216	6.4
153.09108	7.5
153.12730	5.4
155.08533	8.4
157.10091	12.9
159.08060	6.4
159.11751	9.8
161.09595	9.3
163.03926	4.2
163.11169	30.5
165.09103	13.3
167.10629	10.1
169.10162	4.7
171.08051	7.5
171.10280	5.5
171.11674	6.3
173.09541	15.5
173.13316	4.9
175.11183	11.3
181.12219	13.5
189.11234	34.4
191.10629	7.3
191.14375	6.0
193.12248	19.1
199.13188	6.6
204.06960	3.9
205.12291	8.5
209.11760	21.6
209.85344	3.9
211.13313	13.8
213.12741	8.6
219.13805	28.6
223.13300	7.3
225.12779	5.3
227.12820	43.8
233.15346	12.6
265.14191	5.4
267.15912	11.4
273.14719	8.2
276.20309	5.1
283.15427	16.9
293.17416	16.2
308.40872	4.2
339.23257	7.9
349.21674	9.9
350.24063	11.9
351.25278	8.9
367.22678	47.0
385.23770	42.2
389.23599	6.7
403.25156	8.5
427.59296	3.8
441.26254	11.7
442.52063	4.1
445.25409	6.2
459.27499	63.5
473.25052	4.3
477.28580	47.6
491.26447	28.0
491.31284	6.4
509.27261	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00474	1.2
53.03941	3.0
55.01868	7.5
61.02921	2.4
66.89127	1.1
67.05496	3.1
69.03442	8.7
69.07072	5.4
70.06575	1.7
71.04990	4.2
71.52494	1.2
71.52869	1.2
73.02921	2.8
74.06106	1.3
79.05482	4.3
81.03410	8.8
81.07060	7.7
84.04483	1.4
85.02909	15.8
85.06554	3.0
87.00822	5.5
91.05481	2.7
93.07027	9.1
95.08611	8.0
97.02897	9.3
97.06557	6.2
99.04462	8.2
105.01868	3.5
105.07036	7.0
107.08606	25.5
109.02863	7.3
109.06516	4.3
111.08083	2.7
113.05988	3.3
117.01847	1.4
119.08578	2.4
121.06522	5.4
121.10154	8.3
123.08068	3.7
127.03928	10.8
131.08600	1.8
135.04448	1.2
135.11687	4.3
139.07503	1.5
139.11171	2.8
145.04964	3.9
145.10149	6.3
147.11722	2.6
147.28751	1.4
149.09618	3.4
151.07553	6.1
153.12703	1.6
159.02879	4.2
163.03912	1.9
163.06046	1.4
163.11188	18.3
165.12796	1.2
167.10686	8.8
169.08612	53.3
173.09694	1.6
181.12221	11.9
185.11720	1.9
191.10602	7.6
205.40698	1.5
209.11746	7.1
209.15404	2.0
227.12791	100.0
227.16367	2.6
228.13304	1.6
245.13786	3.7
267.15799	1.4
285.16974	2.1
347.07645	1.9
348.07904	6.3
510.18210	1.3
537.11115	1.2
539.75867	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01777	0.6
53.03933	0.8
55.01856	3.2
55.05511	4.7
57.03431	1.6
57.07071	1.0
62.06091	0.7
67.05508	5.1
69.03423	0.9
69.07072	5.2
69.41124	4.2
79.05497	4.4
80.05849	0.6
81.03421	0.8
81.06597	1.1
81.07063	20.3
81.30287	0.5
83.04973	2.2
83.08626	2.5
91.05475	3.0
93.07047	5.4
95.04967	1.7
95.08602	5.8
97.06517	2.0
97.10184	0.8
105.07053	3.5
107.08591	4.9
109.06514	7.7
109.10167	4.1
111.04447	16.5
111.08105	3.6
115.05480	0.6
117.07054	0.6
119.08588	4.5
121.10133	4.7
123.08079	2.1
123.11675	1.4
125.05983	5.5
125.09631	1.5
131.08560	2.3
133.10146	4.4
135.08070	2.2
135.11696	5.1
137.05981	100.0
137.13249	2.5
139.07565	0.8
143.08575	1.7
143.84016	0.6
145.10155	2.3
147.08081	1.6
147.11699	6.2
149.09637	3.9
149.13278	2.0
151.07545	3.1
151.11209	1.8
155.14333	1.8
157.10138	2.5
159.11737	0.8
161.09636	6.1
161.13272	2.4
163.11166	2.9
163.14803	1.2
165.09119	2.7
165.12706	1.0
167.10716	0.7
171.11713	1.0
173.09486	0.6
173.13316	0.8
175.11165	5.3
175.14751	1.6
177.09137	1.0
179.10703	1.6
181.12239	0.9
183.13794	2.7
189.12743	1.6
189.22751	0.6
193.12286	1.8
196.82335	0.6
197.13290	0.6
198.05174	0.9
201.14810	1.3
203.17940	5.2
205.19551	1.2
213.16389	2.9
216.06335	1.4
221.19037	2.3
223.14926	0.6
231.17464	10.2
231.19638	1.1
241.15843	1.3
249.18483	6.5
259.17126	0.6
276.19763	0.7
277.17993	50.4
295.19025	6.6
320.22293	3.0
350.02280	0.6
351.21661	67.9
352.21915	0.8
369.22739	40.8
431.18405	2.7
460.28326	0.9
474.22491	1.5
492.23349	3.9
510.24701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01870	1.8
55.05268	1.6
55.05514	19.3
57.03427	3.2
59.04994	1.3
59.89420	1.0
61.02914	1.3
65.03940	1.1
67.05499	5.9
69.03432	8.1
69.07059	4.0
69.21548	10.3
70.06588	2.4
71.04993	6.8
71.06906	1.0
71.13062	0.9
72.08157	1.8
73.02917	1.5
79.05501	5.4
81.03421	8.0
81.07056	9.8
83.04979	11.0
83.08621	14.2
85.02907	15.0
85.06535	4.7
87.00831	8.7
91.05496	4.8
93.07046	12.3
95.04970	13.3
95.08610	7.3
97.02892	10.6
97.06538	5.6
97.10164	1.6
98.20805	2.4
99.04456	9.5
99.08102	1.7
105.01869	10.2
105.07037	11.6
107.08591	18.3
109.02898	7.0
109.06520	8.2
109.10158	20.9
111.04427	1.4
111.08083	4.8
113.09646	1.1
115.07590	2.3
116.07223	1.1
117.07012	1.3
119.08583	10.0
121.10144	37.8
123.08109	4.8
123.11714	5.6
125.09637	4.2
127.03912	13.4
127.11246	1.0
129.01845	1.0
131.08563	5.7
133.10138	26.7
135.08032	4.0
135.11690	4.1
137.09622	1.8
139.11197	3.6
145.04955	6.0
145.10106	4.6
147.11705	9.7
149.09654	2.8
149.13249	7.8
151.11191	17.5
153.09209	6.1
153.12767	1.1
158.10965	2.3
159.02974	2.3
163.14874	5.9
165.12758	4.2
167.14319	18.3
173.13255	16.7
175.14824	9.0
183.13828	1.4
191.14317	26.0
193.12218	1.9
193.15886	1.3
201.65599	1.1
207.13808	1.1
209.15375	100.0
227.16431	40.0
231.05081	2.3
249.06091	1.2
252.31757	1.1
365.22827	1.1
439.19717	1.5
457.20911	1.6
475.21301	1.4
511.17938	4.9
520.50043	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87583	2.2
53.03947	5.1
55.00918	2.1
55.01862	7.6
55.05513	27.8
57.03426	9.8
57.07078	4.9
62.06081	10.1
66.72548	2.2
67.05510	60.0
69.06785	1.9
69.07069	21.5
69.38684	6.4
69.39108	10.6
71.04980	6.6
71.08640	27.4
79.05496	42.1
80.05023	3.8
81.03398	10.0
81.06589	3.8
81.07062	61.5
82.06588	5.0
83.04974	10.4
83.08625	19.7
85.02898	6.0
85.06509	3.9
91.05479	33.5
93.07049	48.2
95.04964	10.1
95.08605	27.0
97.06538	10.8
97.10179	10.9
98.98483	11.5
99.04447	2.8
99.08102	22.1
105.07034	18.7
107.04923	5.0
107.08585	25.8
109.06527	5.0
109.10161	16.7
111.08062	5.4
113.09686	2.6
117.07013	10.1
119.08603	12.9
121.06490	2.9
121.10156	14.7
123.11666	5.3
124.11295	2.5
125.09629	5.4
126.12817	3.2
127.03942	2.5
129.05484	3.5
131.08574	11.1
133.10146	15.4
135.08089	4.3
135.11685	12.4
137.09575	2.9
139.11183	3.3
144.13811	2.9
145.10112	7.1
147.11719	6.5
149.09607	2.4
149.13271	15.8
150.29587	2.1
151.11194	17.5
155.01036	3.9
157.10165	2.8
157.12093	2.1
159.05251	2.5
159.11719	7.7
161.13208	6.8
163.11194	14.7
171.11699	5.6
175.11290	2.5
177.12758	6.6
179.14281	6.6
189.11293	3.4
195.13759	10.3
198.05154	3.3
199.14677	2.4
209.11682	2.6
210.12141	2.4
213.14818	2.8
217.19466	3.3
220.16980	10.4
227.12726	3.1
227.20073	3.7
229.14323	3.5
231.21083	2.8
238.18033	6.1
241.19543	7.7
243.21086	2.8
251.16368	4.6
259.20538	8.4
269.17505	62.4
277.21652	23.8
294.20563	2.7
320.25742	9.4
323.25391	2.9
333.24301	23.8
336.15512	3.7
338.26865	9.9
349.13907	4.6
351.25305	100.0
369.26395	50.3
372.76105	3.0
374.17233	14.0
392.18329	48.4
413.20724	3.8
431.21619	5.2
474.26187	11.8
492.27145	7.8
507.97742	2.7
510.27777	9.0
510.40115	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01878	12.1
55.05275	2.7
55.05516	40.3
55.44352	2.2
57.03442	25.1
57.07067	8.1
62.06105	3.0
65.03938	3.3
67.05508	85.1
68.05832	2.3
69.03436	4.7
69.07072	26.3
70.02077	7.8
71.01362	1.8
71.04984	7.1
71.08631	34.4
79.05495	56.8
80.05016	3.4
81.03420	12.2
81.07059	82.6
82.06567	5.0
83.04987	16.5
83.08620	21.5
85.02911	4.1
85.06544	8.1
91.05486	49.7
93.07048	72.0
94.06570	3.2
95.04980	15.3
95.08614	46.0
97.06530	15.0
97.10165	9.0
98.98498	11.2
99.08098	35.0
100.94792	1.9
103.03976	2.2
105.07028	32.4
107.04939	2.2
107.08594	34.7
108.08138	2.4
109.06536	5.6
109.10168	18.6
111.08074	6.9
113.09645	3.6
117.07015	13.4
119.08592	21.8
121.06525	3.0
121.10160	22.5
123.08047	6.3
123.11746	3.7
124.01623	2.8
125.09592	3.4
126.12769	4.6
128.06203	2.7
129.05469	4.4
129.07011	9.1
131.08578	13.7
133.10152	23.3
135.08008	3.6
135.11697	16.1
137.09613	3.7
137.13240	1.9
139.11168	6.1
143.08548	4.7
145.10139	12.2
147.11681	14.1
149.13266	13.6
151.11205	27.6
153.12805	2.5
157.10146	6.0
159.11700	10.6
161.09621	2.4
161.13280	14.9
163.11153	17.0
163.14857	5.1
165.12743	3.8
168.13977	2.3
171.11682	9.5
173.11740	4.2
173.13268	4.2
175.11230	3.4
175.14804	5.1
177.12708	6.6
179.14314	8.2
181.12642	2.5
185.13255	3.4
195.13730	11.0
196.10899	2.3
199.14835	2.3
213.14780	3.4
216.06384	4.1
220.16960	11.5
224.10561	2.8
227.12772	2.3
229.14351	5.0
231.21178	4.1
238.18019	9.0
241.19601	12.4
243.21153	6.1
251.16460	4.5
255.15862	2.2
259.20670	13.5
267.15936	3.4
269.17480	76.9
277.21640	29.3
284.15594	2.1
294.20590	2.6
295.22644	2.7
302.24915	3.9
318.14688	3.4
320.25638	10.2
324.64569	2.3
333.24246	47.7
336.15826	6.1
338.26935	3.3
351.25308	100.0
369.26370	71.5
369.29727	1.8
374.17181	10.7
392.18365	46.0
394.29279	2.6
413.20889	2.2
431.21820	2.7
449.23172	2.6
456.24673	2.8
474.25909	13.0
485.30704	2.1
490.95523	2.1
492.27023	6.9
510.27625	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	510.3547
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05503	1.2
56.05027	1.3
57.03441	0.9
57.07081	6.0
58.06603	1.7
60.08167	15.2
67.05495	1.7
69.07056	1.2
70.97506	0.7
70.97851	1.1
71.07378	5.2
71.08633	5.6
74.66156	0.5
81.07056	2.1
83.08624	2.1
83.60378	0.5
85.10187	2.4
86.09710	45.1
88.05097	0.5
95.08616	3.0
97.10148	1.0
98.98458	4.2
102.05642	0.5
104.10748	100.0
109.10172	2.3
114.35041	0.6
123.11751	0.8
125.00006	25.2
141.61258	0.4
163.01550	1.1
184.07346	87.2
224.00267	0.6
239.23621	2.5
258.11044	1.0
309.55084	0.6
313.27350	12.2
327.28922	1.2
331.28558	1.8
384.45721	0.5
408.70731	0.5
492.34531	9.0
510.35562	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05021	0.4
57.03429	0.3
57.07055	1.1
58.06612	0.6
58.95568	0.3
60.07889	0.5
60.08164	6.2
62.59307	0.2
67.05478	0.5
69.07073	0.6
69.71394	0.9
69.71823	0.8
71.07380	2.2
71.08623	0.6
81.07043	0.4
81.88960	0.3
83.08608	0.5
86.09704	28.2
89.06059	0.3
95.08602	0.5
97.02920	0.3
97.10191	0.3
98.20766	0.6
98.98470	2.3
104.10740	2.9
105.07021	0.4
125.00005	19.3
184.07339	100.0
253.15041	0.3
297.71759	0.3
326.42621	0.3
492.34436	1.2
494.79361	0.3
510.35425	4.2
510.42203	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94383	0.9
53.97672	1.0
55.05515	7.4
57.03430	3.6
57.07080	61.5
60.08164	2.6
61.02912	2.6
62.06059	1.6
67.05169	1.9
67.05507	16.4
69.03445	6.1
69.07069	11.9
69.68784	5.4
70.42915	1.0
71.05000	1.3
71.08641	43.6
75.04471	1.8
79.31275	1.0
81.03412	4.4
81.07064	24.2
83.08624	16.5
85.02911	13.2
85.09672	1.6
85.10188	26.9
86.09721	6.3
88.87022	0.9
95.08618	34.2
97.02890	5.6
97.10178	10.0
98.20691	1.3
98.98454	1.2
99.04440	1.6
99.11703	1.0
103.07668	1.2
104.10759	14.7
108.83987	1.0
109.02860	4.1
109.10161	19.4
111.11707	2.7
123.11707	8.8
125.00018	2.8
125.13299	2.4
126.96017	1.0
127.03904	7.5
128.23589	1.1
137.13222	2.8
145.04982	5.8
151.14828	1.5
165.16318	1.6
184.07336	14.5
221.22723	2.2
239.23709	54.6
245.64764	1.0
249.16492	0.9
251.67867	1.1
257.24695	7.3
269.77734	0.9
313.27386	100.0
320.76080	1.3
331.24612	1.5
331.28415	20.0
337.27429	1.3
338.27637	1.4
348.01376	1.1
383.27948	16.6
401.29019	39.7
492.34265	1.4
510.35443	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	511.1789
Annotation	Syringopicroside B
Peak:m/z	Relative Intensity
51.74369	0.5
55.01862	0.5
55.05503	1.2
57.03451	0.5
62.29162	0.5
67.05499	1.1
69.03422	1.2
69.94983	0.5
70.06566	0.9
71.51476	0.6
71.51878	0.7
78.46134	0.5
79.05515	0.7
79.38407	0.5
81.03416	1.2
81.07054	0.7
83.04974	1.1
85.02907	1.2
86.09737	0.5
87.04427	0.6
91.05495	1.9
93.07057	1.1
95.04971	1.5
95.08622	0.9
97.02908	0.6
98.97588	0.7
99.04463	1.2
101.00911	0.5
105.07032	4.0
107.08589	1.3
109.02883	0.6
109.06488	0.6
111.08080	0.8
115.98367	0.5
119.01928	0.6
119.08561	2.3
121.10152	1.4
123.08080	0.9
127.03905	2.3
134.10448	0.5
135.08199	0.5
135.11728	0.7
137.09581	0.5
138.93723	0.5
143.08536	0.6
149.06013	0.9
159.11734	2.1
161.13260	0.7
165.09103	0.7
169.12184	0.7
187.11093	0.6
193.12193	0.5
203.05336	1.0
205.12357	0.9
215.09361	0.9
227.05208	0.8
229.07434	0.7
245.06360	5.2
245.08810	0.8
245.11418	3.1
263.12610	2.5
271.04123	0.7
289.02039	0.9
289.05307	16.8
305.12326	0.8
323.13364	0.6
325.12625	0.6
337.07071	2.1
349.15213	1.4
367.13474	0.7
407.16803	1.4
425.17999	2.8
449.17831	5.5
467.18951	9.6
493.16843	28.0
511.17917	100.0
512.18201	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
61.27406	0.5
67.05489	0.6
69.03434	0.9
69.60085	2.2
69.60493	1.1
70.06572	1.1
72.08169	0.7
79.05483	0.7
81.03410	3.9
83.08624	0.9
85.02899	1.2
91.05467	1.5
93.07029	0.7
95.04976	1.5
97.02928	0.6
105.07035	2.1
107.04958	0.7
107.08566	0.8
108.42741	0.6
119.08578	2.3
127.03946	0.9
128.17062	0.5
131.08510	0.9
132.75626	0.6
133.06459	0.8
133.10136	0.9
144.09317	1.2
156.28065	0.6
157.10120	1.0
159.11696	2.3
161.13245	1.2
167.03123	0.7
193.12202	2.7
203.05287	1.7
203.11093	0.6
236.26457	0.7
245.06360	5.9
245.11630	4.2
263.12625	2.2
267.15872	1.5
278.55353	0.5
284.66205	0.5
285.17032	0.7
289.05298	23.5
323.13586	0.6
407.16620	1.0
425.17548	3.3
467.18863	9.7
493.17303	0.7
511.17889	100.0
512.18604	0.9
531.89648	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.05510	1.5
57.03437	1.1
67.05501	1.7
69.03430	1.4
69.07044	0.6
69.77398	3.2
70.06593	1.7
72.08150	0.7
79.05498	2.1
79.75248	0.5
81.03423	11.6
81.07043	1.3
82.83773	0.6
83.04973	0.9
83.08617	1.9
85.02904	1.3
86.09733	1.3
91.05492	3.5
93.07057	2.1
95.04978	3.7
95.08598	0.7
97.06541	0.6
105.07031	5.2
107.04977	0.7
107.08617	0.8
109.43151	0.5
111.08110	0.8
117.07033	1.6
119.04859	0.6
119.08581	2.7
121.06503	0.6
121.10156	1.8
127.03922	0.8
129.07011	1.6
131.08559	3.1
133.10164	1.1
136.07544	0.8
142.07835	0.9
143.08565	0.9
144.09387	1.1
147.05882	0.6
147.11716	2.7
149.09653	1.2
157.10165	1.4
159.11682	4.0
161.03038	0.6
168.09296	0.5
175.11230	1.7
193.12268	11.2
203.00597	0.5
203.05269	1.3
211.13292	1.2
227.05339	0.8
231.37225	0.5
235.13249	0.6
243.71414	0.6
245.06346	5.1
245.11539	4.9
249.14778	0.8
261.98383	0.6
263.12637	4.3
267.15952	5.2
271.04285	0.7
273.14725	0.6
285.17026	2.5
289.05319	16.6
291.09900	0.6
309.17175	1.3
407.16681	0.6
421.18213	1.0
425.17960	5.5
449.18250	1.6
467.18991	14.3
493.16858	19.8
511.17920	100.0
512.18359	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	511.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01867	3.9
55.05512	7.2
57.03428	5.1
60.65147	1.2
65.03949	1.6
67.05505	13.0
69.03423	6.2
69.07059	3.4
70.40305	1.1
71.05005	2.3
71.52597	1.4
73.02896	4.0
76.59335	1.2
79.05500	12.1
81.03423	100.0
81.07069	11.1
83.04986	5.7
83.08627	19.1
85.02909	8.1
91.05489	12.9
93.07059	7.3
95.04976	27.3
95.08587	5.0
97.02911	6.3
97.06551	1.9
97.10145	1.4
99.04476	2.8
99.65434	1.2
103.03928	1.4
105.07034	12.2
107.04952	6.5
107.08600	3.3
109.02890	21.8
109.06524	4.2
109.10131	1.8
110.03680	2.3
111.04456	7.6
111.08089	10.3
115.05439	2.3
117.07016	2.1
119.08580	12.7
121.06463	3.4
121.10109	5.4
123.04443	2.0
123.08081	1.8
127.03912	7.6
129.06996	6.0
131.08548	7.4
133.06487	3.8
133.10115	5.0
135.04422	1.1
135.11749	1.4
137.09714	1.1
142.07770	2.6
145.10135	1.8
147.08073	4.4
147.11670	9.4
149.09593	6.9
151.03915	16.7
151.05005	2.4
157.10138	9.8
163.11194	2.3
165.12737	1.9
173.05934	1.2
175.11197	13.7
185.13258	1.0
191.00101	3.2
192.31514	1.0
193.12259	87.7
209.11752	1.6
211.13301	29.0
220.44891	1.0
227.12779	1.6
229.14238	1.8
235.13257	4.7
246.14937	3.6
246.64954	1.4
259.13260	1.5
267.15930	43.6
273.14957	1.2
285.14053	2.4
285.16965	27.2
301.14496	2.4
309.16861	6.1
331.18970	2.7
335.05496	5.2
349.07114	6.1
366.07236	2.3
367.08224	7.1
452.57230	1.2
475.31497	1.3
479.10178	1.3
493.17047	3.4
511.11417	1.4
511.18839	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	511.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
53.78553	1.6
55.01860	3.7
55.05502	4.9
57.03440	4.3
60.28190	1.7
61.02919	2.9
65.31828	1.5
67.05512	10.5
69.03424	16.1
69.07059	6.7
71.04996	3.9
71.52412	1.6
71.52771	1.6
79.05491	6.0
81.03423	18.4
81.07056	13.5
83.04972	6.3
83.08643	2.2
85.02911	15.2
85.06524	3.2
90.44662	1.7
91.05471	6.6
93.07036	11.9
95.04961	6.5
95.08604	11.9
97.02881	7.1
97.06535	12.2
97.10117	1.8
99.04453	11.1
99.72038	1.5
101.83082	1.4
103.03941	4.8
103.05470	1.9
105.07050	10.0
107.08618	7.4
107.57452	1.8
109.02872	8.1
109.06503	4.8
109.10143	4.7
111.08074	3.0
117.05507	2.5
117.06977	2.9
119.08575	8.7
119.49290	1.4
121.06516	3.0
121.10150	4.8
123.04433	81.6
123.08077	3.4
123.48990	1.5
125.06011	8.2
127.03914	9.2
128.06258	2.2
129.06989	6.5
131.04953	2.9
131.08525	3.2
133.10129	6.0
135.08035	2.0
135.11673	2.1
136.06161	5.8
137.05888	2.4
137.09543	1.7
141.06999	1.8
143.07051	4.1
143.08540	4.8
145.06537	3.8
145.10094	4.6
147.04382	4.2
147.09174	9.7
147.11678	2.8
149.05983	4.3
149.09613	5.1
149.13226	3.0
152.07074	1.9
155.08617	2.0
157.06505	7.9
157.10138	3.5
159.08035	2.5
159.09221	4.8
159.11589	3.4
161.05998	22.2
163.07533	6.5
163.11188	5.5
165.09088	2.5
167.08643	3.2
167.10616	2.0
169.06502	2.1
169.08604	5.3
169.10106	3.2
171.08058	4.8
173.05931	15.0
174.18544	2.3
175.07539	40.3
177.05472	5.1
179.08598	2.0
181.12189	2.4
183.08031	1.8
183.10141	4.5
183.11694	1.8
187.07497	17.0
187.11203	1.8
189.05562	2.4
189.09029	12.1
191.08250	29.0
191.10686	5.0
195.06517	2.0
195.08073	6.3
197.05949	2.4
197.09596	6.2
199.07565	6.8
201.09038	9.5
203.07025	5.4
203.10645	6.6
209.09842	2.4
209.11694	4.2
211.07513	4.7
211.13216	2.5
212.08202	1.6
213.09082	13.5
214.09828	2.1
215.07123	2.3
215.10603	13.1
216.07684	4.3
217.08571	9.8
225.09129	6.8
225.12665	3.8
227.10690	4.9
229.08586	3.6
229.12184	2.9
231.10213	4.3
239.10635	4.7
241.08580	2.0
243.10149	6.7
243.13838	7.1
245.09341	2.8
245.12828	4.7
249.12851	2.5
253.12233	9.2
255.10287	2.7
257.11978	1.7
263.13919	1.8
267.13687	11.1
267.23346	2.6
269.15381	2.3
271.10608	2.7
271.13269	16.7
273.11182	3.4
275.20160	2.3
277.12265	4.5
285.14841	9.9
289.11591	4.0
289.14395	7.4
291.12344	4.8
295.13293	14.1
303.15891	5.1
305.17657	2.3
307.12799	17.5
313.14346	43.0
331.15405	100.0
345.18109	2.0
349.16470	10.9
349.23663	3.1
389.17206	4.2
425.12482	2.1
439.17276	2.1
451.16849	2.1
493.20749	3.6
493.27530	3.0
494.17688	70.9
511.15820	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	512.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05574	1.9
50.45660	2.0
53.03934	3.8
55.01870	3.4
55.05514	4.7
57.03440	3.0
61.02929	2.5
61.84915	1.9
67.05518	10.9
67.05827	2.0
68.84145	1.9
69.03433	13.7
69.07076	12.2
70.06597	23.3
70.18247	2.3
71.04993	4.8
71.06931	4.3
71.52348	1.7
72.08170	3.2
73.02913	3.0
79.05498	14.3
81.03422	25.8
81.07057	29.4
83.04982	15.1
83.08611	6.6
84.08118	1.9
85.02912	15.4
85.06528	4.2
86.09715	14.4
91.05492	13.4
93.07049	32.9
95.04960	12.0
95.08607	27.5
97.02901	8.2
97.06552	20.1
97.15046	2.0
99.04451	15.0
103.03938	5.8
103.75070	2.1
105.07034	21.8
107.04945	4.1
107.08614	17.1
109.02893	28.0
109.06538	17.8
109.10172	4.9
111.04420	3.7
111.08084	20.2
113.06008	2.7
115.07578	7.1
117.06993	3.2
119.04941	2.8
119.08607	15.4
121.06510	47.6
121.10127	4.1
123.04418	4.5
123.08060	5.8
123.11697	6.2
124.99960	2.4
125.05993	18.9
127.03918	30.7
127.07549	6.1
129.06964	2.6
131.08614	4.5
133.06569	2.4
133.10103	12.4
135.04420	3.4
135.08107	9.5
136.06207	3.7
137.06003	5.2
137.09666	2.9
139.07555	11.3
143.07072	11.5
143.08578	4.0
145.04976	6.1
145.10184	5.6
147.08023	6.7
147.11693	30.4
149.09599	2.2
151.11171	8.1
155.08510	2.9
157.08629	6.4
157.10127	11.3
159.06526	5.7
161.13287	6.7
163.06035	3.2
163.11290	2.7
165.12726	9.8
166.07881	2.4
169.12270	15.3
171.11697	9.0
173.09663	3.6
173.13263	2.5
175.11185	27.0
181.10100	2.1
184.07306	12.0
187.06029	6.3
189.11185	7.3
189.12788	16.4
193.12212	23.3
194.12100	2.3
199.11188	16.7
200.90471	2.0
205.07085	4.4
207.13815	9.3
211.13301	22.2
217.12244	47.4
229.14351	12.1
235.13310	61.3
236.09157	9.8
253.14371	100.0
263.07056	3.3
271.15430	27.9
283.15363	5.1
289.16522	11.5
291.06732	2.1
303.04956	4.7
313.16464	3.9
315.17926	3.3
323.09140	12.7
337.16165	2.4
340.09488	3.7
343.15405	2.4
361.16397	7.5
377.02225	3.3
379.17410	12.1
397.18686	28.6
408.08716	2.1
415.19708	12.2
433.20639	2.5
494.24835	3.0
512.18323	10.5
512.25214	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.6
69.03421	2.8
71.51462	1.8
82.99860	2.0
85.02899	6.7
93.60339	0.9
97.02895	3.5
101.00886	12.0
109.02875	1.2
113.00871	3.6
115.02459	1.2
117.04012	1.5
119.01919	18.0
127.02425	4.4
127.03893	2.7
131.01927	6.8
133.03481	1.6
137.02928	1.7
139.02438	1.1
143.01910	26.4
145.03477	15.2
145.04800	1.9
147.01390	2.6
149.03004	1.6
149.11122	1.1
152.06934	1.0
155.01912	16.3
157.03444	6.0
161.02974	23.9
167.01862	11.8
169.03447	4.9
171.01376	10.9
171.05020	2.4
173.02980	19.2
175.02975	1.0
175.04581	3.2
179.01913	5.9
183.01404	2.0
185.02969	39.6
187.02940	1.5
187.04465	4.8
189.02451	15.8
191.04071	2.1
197.02995	16.6
203.04045	10.9
207.03525	4.5
213.02477	1.3
213.06076	1.3
215.02336	1.2
215.04033	10.2
217.68703	1.1
221.05103	1.5
227.04041	9.2
231.03516	46.2
231.07039	2.0
243.03499	7.7
245.05092	100.0
246.05145	1.4
247.04912	3.6
249.04619	8.1
255.03561	2.0
257.05127	7.0
261.04504	8.4
263.06116	10.7
273.04614	1.4
273.08051	1.6
273.58331	2.8
275.06137	14.9
279.05670	1.0
291.05661	12.6
293.07227	4.1
305.07257	11.1
315.05386	1.3
326.77411	1.0
333.06787	12.9
335.08304	5.3
351.07776	4.9
365.09344	12.7
513.12933	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	513.195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	0.4
69.03417	0.4
70.85873	0.7
79.05494	0.8
81.03439	0.7
83.04991	0.5
85.02924	0.6
86.09705	0.5
91.05482	1.0
93.07037	0.5
95.04945	0.9
95.08585	0.7
105.07045	1.1
107.08596	0.8
109.02711	0.6
109.06538	0.4
117.07021	0.6
119.08606	0.7
121.10158	0.4
126.59619	0.3
131.08569	0.6
140.04591	0.4
155.07008	0.4
159.11664	2.0
185.04276	0.7
189.76619	0.3
193.12178	0.4
203.05299	1.8
217.12012	0.4
227.05341	1.2
237.09299	0.4
245.06335	5.5
247.13223	0.4
265.14240	3.8
287.03809	0.9
289.05283	10.0
293.04477	0.5
321.03995	0.6
323.09186	0.9
339.05133	1.3
342.12494	0.5
389.15518	0.5
397.18301	1.4
427.19403	3.7
439.19543	1.0
447.16357	0.9
451.19275	0.7
465.17270	1.1
469.20474	11.8
483.18286	0.8
495.18134	1.1
513.19458	100.0
514.19739	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01833	1.0
55.05503	2.1
56.23219	0.5
57.03434	1.3
59.05002	0.6
61.02928	0.8
62.52074	0.5
65.03931	0.8
67.05494	2.4
69.03429	12.3
69.07065	1.5
70.46180	1.7
71.04999	1.1
76.58840	0.5
77.03935	0.9
79.05495	11.4
81.03422	4.7
81.07040	2.5
83.04988	3.8
85.02910	9.1
86.09711	0.6
91.05489	3.5
93.07037	1.8
94.57860	0.5
95.04971	2.6
95.08591	1.9
97.02873	3.0
97.06551	1.0
99.04460	6.2
103.03313	0.9
103.03953	10.8
103.05467	4.3
105.04540	1.2
105.07028	8.8
107.04925	1.2
107.08597	5.7
109.02857	4.2
109.06544	1.5
109.10158	1.3
115.05465	0.6
117.07000	1.0
119.04938	0.7
119.08591	5.0
121.06496	6.4
121.10142	2.8
123.08076	5.1
127.03919	20.1
129.06998	0.9
130.07727	0.6
131.08566	2.1
133.06496	100.0
133.10146	2.3
135.06621	0.6
135.08041	3.7
135.11742	1.0
137.09642	0.9
142.07732	0.6
143.08565	1.5
145.04959	8.5
145.10146	2.3
145.30446	0.5
147.08022	3.7
147.11690	3.0
149.09645	2.8
149.13226	0.8
151.07567	2.2
156.09360	1.3
158.10887	1.0
159.08092	1.5
159.11681	1.2
160.08896	0.5
161.09604	3.5
161.13274	0.8
163.03931	0.9
163.06044	5.1
163.11185	6.7
171.11664	0.8
173.13281	1.9
174.10345	0.9
187.06070	1.3
189.12749	39.9
191.14308	21.9
191.16087	0.8
201.12720	0.9
205.06935	0.8
207.13802	30.4
229.12294	1.1
231.13693	0.8
234.98964	0.6
247.13261	0.7
264.03546	0.6
265.08945	0.6
271.08093	2.0
283.09799	0.8
288.44424	0.6
289.09290	1.3
297.14816	0.9
307.10156	1.4
315.15933	0.9
323.09387	0.9
369.62888	0.7
427.14291	5.7
459.19922	0.6
484.12592	0.7
496.18396	1.2
513.10297	3.8
513.17224	0.8
513.23004	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.1
55.05511	17.6
57.03418	3.6
61.02930	16.2
67.05507	28.0
67.39052	2.4
69.03423	10.5
69.07061	8.0
71.04994	3.8
71.08595	3.0
71.52276	2.3
73.02900	3.4
79.05492	40.2
81.03425	12.8
81.07051	32.2
83.04990	6.3
83.08612	7.1
85.02914	15.4
85.06548	4.4
91.03943	5.6
91.05493	32.9
93.07047	43.6
95.04955	8.2
95.08606	25.2
97.02879	9.0
97.06488	4.2
97.10157	2.6
99.04440	3.4
105.07024	32.9
107.08595	29.1
109.02850	3.0
109.06483	2.8
109.10132	10.1
115.05468	2.5
117.07007	12.4
119.08583	31.6
121.06458	3.5
121.10160	19.1
123.11681	4.4
123.68283	2.2
128.06201	2.8
129.07016	11.0
131.08560	16.7
133.10153	25.7
135.11707	18.7
135.80464	2.5
142.07755	3.0
143.08508	8.4
145.10129	16.3
147.11673	21.8
149.13269	14.7
157.10127	8.1
159.11742	12.5
161.13269	23.5
163.11163	2.9
163.14815	4.1
171.11713	6.1
173.13286	9.3
175.11240	3.3
175.14832	11.0
177.12732	2.9
185.13280	9.0
187.14755	3.7
189.12810	3.1
193.10075	2.4
199.14703	4.8
203.14253	3.6
213.16342	2.7
231.21065	5.1
241.19508	19.9
259.17773	3.6
259.20560	49.4
270.25113	5.4
277.21545	3.1
328.66681	2.9
349.23898	4.8
351.25317	100.0
358.71768	2.8
363.25385	3.5
367.22418	3.0
375.25131	2.8
423.23361	4.7
441.26053	4.4
459.27481	4.7
477.28427	4.6
495.29279	8.7
513.24365	4.6
520.60608	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05508	8.6
56.22274	1.3
57.03435	6.5
57.07087	1.9
57.56574	1.0
58.19402	1.2
61.02931	12.2
65.03901	1.0
67.05507	25.1
69.03428	2.5
69.07071	8.2
69.85631	6.3
71.05011	1.3
73.02924	3.3
75.04474	1.2
79.05068	2.3
79.05499	29.6
81.03426	4.0
81.07056	30.0
83.08621	5.3
85.02911	9.1
85.03353	1.6
85.06551	3.1
91.03969	5.0
91.05489	30.4
93.06481	2.7
93.07048	38.6
95.04972	4.5
95.08615	21.4
97.02876	5.9
97.06534	3.2
97.10184	2.8
103.03944	1.6
105.07037	28.9
105.07703	2.4
107.08598	25.1
109.06498	1.6
109.10165	8.2
117.07001	7.4
119.08585	26.4
121.06509	1.7
121.10153	22.9
123.08121	1.7
123.11664	1.5
125.09658	1.3
127.03867	1.4
128.06223	1.3
129.05537	1.6
129.07036	7.3
131.08575	14.2
133.10136	24.2
135.08002	1.2
135.11713	17.7
143.08582	4.8
145.10129	13.1
147.11703	22.4
149.09639	1.9
149.13281	13.4
155.08647	2.0
155.88225	1.2
157.10172	5.9
159.11710	10.8
161.09721	1.7
161.13277	14.7
163.11208	2.1
163.14819	2.9
171.11732	7.2
173.13257	7.2
175.11136	1.3
175.14819	8.9
177.12798	1.9
183.11725	1.5
185.13304	6.9
187.14801	2.6
189.12811	1.8
195.11859	1.4
197.13202	1.5
199.14854	4.7
203.14349	1.7
213.16461	2.1
217.15916	1.2
217.19469	1.4
231.21129	4.0
241.19542	17.1
259.20572	42.2
275.20346	1.3
277.21689	5.5
301.21494	1.7
333.24283	7.1
349.23682	4.3
351.25314	100.0
363.25375	1.4
367.22784	2.0
375.25333	3.0
385.23383	1.9
403.24698	1.4
429.26266	2.0
441.26233	7.4
459.27231	3.7
465.61368	1.2
477.28537	3.4
478.28665	2.9
495.29855	5.9
513.31219	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01854	1.4
55.05512	8.9
55.47771	1.2
57.03425	5.1
57.07074	2.4
61.02926	10.6
62.43109	1.3
63.81023	1.4
64.83363	1.3
67.05507	21.3
67.19949	1.3
69.03424	5.6
69.07075	7.5
69.25611	12.6
71.04982	2.1
73.02911	3.5
79.05492	27.2
81.03419	5.7
81.07059	28.5
83.04978	2.2
83.08611	4.5
85.02903	9.0
85.06539	2.2
86.09692	1.8
91.03994	6.6
91.05485	23.0
93.07042	40.6
95.04961	5.4
95.08620	15.8
97.02885	5.8
97.06538	3.6
99.08105	2.6
105.04529	1.5
105.07046	25.9
107.08605	21.0
109.02865	1.4
109.06503	2.2
109.10161	10.3
111.08041	1.6
117.07055	8.9
119.08598	24.1
121.10159	19.3
123.08066	3.3
123.11702	2.0
124.05790	1.4
129.07034	4.7
131.08568	14.0
133.10129	21.0
135.08087	2.3
135.11690	20.9
137.09639	2.0
143.08568	5.5
145.10124	13.7
147.08076	1.5
147.11685	18.5
149.09621	3.1
149.13266	14.4
155.08522	2.2
157.10146	7.8
159.11685	9.0
161.09668	2.1
161.13261	15.8
163.03880	1.8
163.11166	2.1
163.14833	3.5
171.11708	7.9
173.13297	9.1
175.11156	3.2
175.14847	10.8
185.13289	8.2
187.14764	3.0
189.12715	3.2
193.12318	1.7
197.13309	1.9
199.14883	4.4
217.19524	1.5
231.17395	1.5
231.20976	2.2
241.19528	19.2
259.20593	40.8
261.22217	1.6
267.15973	2.7
277.21655	6.1
301.21899	1.7
313.21692	1.8
333.24323	6.9
349.23694	1.7
351.25311	100.0
363.25073	2.3
367.22736	2.8
369.81302	1.5
375.25327	3.9
385.23740	2.6
417.26398	2.0
423.23700	2.2
429.26556	2.0
441.26367	4.4
459.27386	3.9
477.28238	5.5
483.12982	1.7
484.13739	2.5
495.29333	5.6
513.17371	7.1
513.24835	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	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
55.05516	8.8
55.25075	1.4
57.03440	4.4
61.02925	11.7
66.92117	1.6
67.05508	21.0
68.94089	1.8
69.03433	3.2
69.07056	7.6
69.96648	5.3
69.97057	4.4
73.02905	3.9
79.05499	26.5
81.03413	4.2
81.07061	25.7
83.08614	4.8
85.02910	11.1
85.06519	2.0
90.16174	1.9
91.03942	5.4
91.05482	25.1
93.07050	40.1
95.04965	1.9
95.08603	15.7
97.02898	5.4
97.10201	2.1
105.06401	2.5
105.07040	26.7
107.08607	24.9
109.10152	9.5
117.07005	6.4
119.08583	25.2
121.10154	19.4
129.06999	5.2
131.08566	13.3
133.10133	23.8
135.11702	19.4
143.08560	7.3
145.10120	12.1
147.11691	26.5
149.13264	12.7
157.10147	6.8
159.11713	9.6
161.09599	1.7
161.13281	18.7
163.11147	2.0
163.14827	5.8
171.11606	8.4
173.13358	7.9
175.11122	2.0
175.14841	12.6
185.13266	7.5
187.14758	1.9
195.11656	1.9
199.14755	4.9
217.15987	2.3
217.19464	2.8
231.21017	5.0
233.68367	1.8
241.19539	19.8
259.20581	47.1
275.19730	2.2
277.21603	4.8
325.21866	1.7
333.24234	7.3
339.23703	1.6
349.23654	3.2
351.25299	100.0
352.25464	1.6
375.25510	2.1
382.00253	1.7
385.23923	2.8
388.99200	1.6
417.26035	2.6
429.26471	2.7
441.26361	6.1
459.27539	3.9
461.21271	1.8
477.28711	3.0
495.29529	4.8
518.48993	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	513.3063
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
51.53370	0.9
53.03933	3.3
55.01882	2.0
55.05514	8.6
57.03440	7.1
57.07059	2.3
61.02931	9.6
65.03945	1.0
67.05186	1.3
67.05512	19.5
69.03422	4.1
69.07074	10.0
69.29346	6.2
69.29754	2.0
71.04978	1.4
72.98871	0.9
73.02901	3.9
77.03930	1.1
79.05499	28.4
81.03416	2.4
81.06593	1.6
81.07062	27.6
83.04987	1.8
83.08613	3.7
85.02913	9.0
85.06522	1.3
91.03951	5.8
91.05482	22.8
93.07053	41.2
93.07637	2.5
95.04974	3.6
95.08609	19.6
97.02898	6.4
97.06512	2.5
97.10149	1.1
98.21500	2.1
99.08060	1.3
105.07040	25.2
106.95471	1.0
107.08602	24.7
109.10161	6.8
111.08068	1.8
117.07042	6.5
119.08588	26.9
121.06600	1.3
121.10151	20.8
123.11707	1.7
125.09669	1.3
127.03911	1.9
129.07013	4.4
131.08594	11.4
133.06491	1.0
133.10130	23.3
135.08063	1.1
135.11711	19.7
137.09550	1.1
143.08560	6.4
145.04880	1.1
145.10135	14.2
147.11700	22.4
149.09665	2.0
149.13271	12.2
151.11209	1.5
157.10126	4.5
159.11716	9.9
161.09596	1.5
161.13255	20.2
162.03578	1.2
163.14819	3.8
169.10097	2.3
171.11719	7.0
173.13281	7.7
175.11156	2.1
175.14864	10.0
177.12700	1.2
179.14264	1.2
181.10071	1.2
183.11731	1.2
185.13290	7.3
187.14854	2.1
189.12756	2.0
189.16347	1.3
199.14775	3.5
213.16347	2.0
217.15979	1.4
217.19585	2.7
231.17378	2.2
231.21126	3.1
241.19525	19.3
259.20581	48.3
271.20587	1.5
277.21658	9.2
299.20053	0.9
301.21683	1.3
313.21576	1.4
333.24261	7.2
349.23709	3.4
351.25311	100.0
363.25616	1.2
367.22382	2.2
375.25443	2.1
385.23413	1.8
387.24994	1.3
403.24911	1.3
429.26538	1.6
441.26215	5.0
459.27304	3.7
477.28369	1.8
495.29440	3.7
532.66650	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3064
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03938	11.8
55.01865	6.1
55.05515	26.5
57.03440	38.8
61.02932	17.3
65.03939	3.0
67.05511	74.7
69.03433	24.6
69.07069	21.4
71.01342	3.1
71.05007	20.4
71.52618	4.6
73.02898	11.8
79.05496	74.0
81.03421	29.9
81.07060	89.5
83.04967	12.7
83.08621	15.3
85.02432	3.6
85.02905	33.3
85.06548	7.0
90.09090	2.7
91.03960	9.4
91.05482	58.0
93.06487	5.3
93.07054	100.0
95.04958	12.4
95.08613	74.1
97.02889	31.4
97.06531	10.1
97.10161	6.3
99.04433	8.9
99.08076	6.6
101.02375	8.0
103.03929	8.5
105.07036	52.1
107.08607	53.0
109.02863	9.4
109.06497	8.7
109.10154	27.3
111.08076	9.1
115.03957	3.1
117.07027	22.5
119.08604	47.5
121.09342	5.1
121.10147	48.3
123.08036	6.5
123.11688	8.1
125.09629	5.8
127.03926	21.8
127.07541	3.4
129.05505	7.3
129.06958	10.3
131.08575	30.6
133.10135	40.6
135.08043	4.9
135.11684	34.3
137.09584	4.7
143.08559	10.6
145.04884	2.7
145.10098	23.8
147.11708	31.6
149.09656	4.8
149.13283	24.0
151.11183	4.0
157.10109	11.3
159.06477	3.1
159.11723	21.9
161.09564	5.0
161.13240	19.3
163.14780	7.4
169.10118	4.9
171.11711	12.1
173.13242	18.6
175.14804	8.8
183.06493	6.0
185.13266	12.2
187.14865	15.7
189.16504	3.0
199.14767	7.5
201.07552	5.2
201.16350	4.2
205.15878	5.7
207.13951	3.3
231.21008	4.1
235.17079	3.5
241.19600	15.5
254.84862	3.4
259.20615	46.3
275.19977	3.6
277.21643	44.0
293.21008	5.1
301.21625	3.9
333.24234	14.9
347.22006	3.1
351.25314	92.8
379.24615	5.0
441.26202	4.0
459.28027	3.6
477.28516	6.2
495.29398	6.8
513.30640	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	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77269	1.2
53.03934	2.6
55.05505	3.7
57.03434	5.0
67.05515	9.0
69.03402	3.0
69.07079	2.2
69.36272	2.5
69.36684	7.0
79.05498	7.1
81.03423	84.8
81.07047	7.0
83.04974	5.3
83.08624	23.0
85.02901	3.1
88.38934	1.4
91.05488	9.0
93.07049	4.1
95.04972	28.1
95.08587	3.9
97.02876	3.8
97.10146	3.0
104.19084	1.1
105.07034	8.0
107.04971	6.2
107.08605	3.4
108.80299	1.3
111.04479	2.3
111.08077	10.4
119.04958	1.5
119.08600	8.3
121.06499	1.3
121.10178	2.8
123.04473	1.4
123.08035	1.9
129.06989	6.5
131.08559	7.2
132.70744	1.1
133.06474	3.0
133.10161	3.8
147.08003	3.9
147.11720	8.0
149.09648	5.7
155.70926	1.2
157.10132	11.8
163.11188	2.1
164.10719	3.3
165.12744	1.3
175.11211	11.8
192.10164	2.5
193.12254	74.7
211.13315	6.8
235.13474	2.1
267.11520	2.1
267.15930	50.8
277.65604	1.3
285.16977	100.0
286.17297	1.6
301.14590	1.4
309.17010	13.8
313.11731	3.6
323.12372	2.3
341.11456	2.9
351.18069	1.7
363.17957	3.7
373.13937	9.7
375.18155	2.9
393.18924	1.7
411.20047	2.7
429.21396	6.0
511.99179	1.1
514.22186	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	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.89009	1.4
55.05509	2.8
57.03442	2.4
61.02930	1.5
67.05505	7.7
69.07068	2.3
69.70249	6.5
71.04993	1.2
79.05511	8.1
81.03424	87.1
81.07063	8.3
83.04984	4.3
83.08150	1.7
83.08627	21.5
85.02912	2.4
85.21701	1.1
90.70541	1.1
91.05489	10.1
93.07069	5.4
95.04981	26.9
95.08617	2.9
97.02917	2.8
97.06536	2.0
105.07015	6.7
107.04981	5.5
107.08604	2.9
109.06508	1.9
111.08098	13.2
119.08588	7.7
121.06509	1.4
121.10152	3.9
129.07005	6.1
131.08586	7.5
133.06519	3.1
133.10141	5.9
137.09648	1.7
138.71709	1.1
147.08054	3.0
147.11688	5.2
149.09644	4.2
153.85420	1.0
157.10153	10.1
158.69470	1.3
163.11201	1.3
165.12723	2.6
175.11208	12.7
193.12267	66.8
194.88483	1.1
206.51598	1.4
211.13298	7.2
235.13377	3.7
267.15924	35.1
272.44525	1.1
285.16983	100.0
299.18628	3.4
309.17087	8.4
313.11960	2.3
319.15332	1.4
327.17981	1.3
337.16559	1.3
337.46609	1.2
363.17935	1.9
373.13953	8.7
375.17972	1.5
393.19299	1.3
433.31699	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
56.50948	1.2
64.77006	1.5
67.05507	8.1
69.03448	1.8
69.07067	3.1
70.06590	2.9
70.73354	1.5
71.52805	1.5
72.08160	1.6
79.05501	1.7
81.03418	3.1
81.07058	4.4
83.04994	2.3
85.02909	5.9
86.09712	2.5
91.05476	3.9
93.07027	4.2
95.04962	2.7
95.08604	14.1
97.02877	2.9
97.06511	1.7
99.04409	1.3
105.07033	4.9
107.04955	2.7
107.08613	9.9
109.02897	1.8
109.10179	3.7
111.08100	1.6
119.08578	3.4
121.10114	2.8
123.08063	5.6
124.99985	1.6
127.03909	2.9
131.08569	2.4
133.10118	4.5
135.08078	4.2
135.11725	1.4
137.09615	2.2
138.09067	1.4
145.10106	4.0
147.11620	1.7
151.11145	1.4
155.08582	1.6
157.10176	3.7
159.08069	2.9
159.11725	1.9
161.09621	5.5
163.11362	1.7
164.10768	7.5
165.09084	2.3
169.10191	1.9
171.11670	4.3
173.09637	3.8
173.13229	2.6
175.11162	2.6
182.11012	1.6
185.13245	3.4
187.11150	2.8
189.12770	4.3
191.10638	3.8
192.10158	11.5
197.13295	3.7
199.14890	1.8
201.12813	1.8
203.14391	1.8
205.12242	2.1
214.36351	1.6
215.14328	11.2
217.09947	1.8
217.12245	8.0
227.20203	1.4
233.15390	4.9
239.18059	2.5
241.16115	1.9
257.15414	3.2
259.17123	1.5
263.10455	2.9
273.18527	3.2
287.20129	10.9
291.09726	3.0
297.12479	1.4
299.20087	12.9
313.11972	2.6
316.00858	1.3
317.15875	2.0
317.17059	2.1
317.21152	33.7
323.12366	14.0
335.22168	100.0
375.11609	1.7
415.77899	1.4
482.19165	3.1
514.21484	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	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.05508	0.2
62.01560	0.2
62.60139	0.2
63.02392	0.4
67.01863	2.1
67.05518	0.3
69.03436	0.2
69.16283	0.6
69.16711	1.2
71.04989	0.3
78.04700	0.3
79.05513	0.3
81.03420	1.6
81.07055	0.3
85.02899	0.7
89.03922	5.6
90.08035	0.1
91.05479	0.8
93.07063	0.5
95.04993	0.2
95.08611	0.3
97.02891	0.3
98.24380	0.2
99.04461	0.6
103.05480	0.3
105.03415	0.3
105.06965	0.2
106.04184	0.5
107.08567	0.3
109.02884	5.0
109.10139	0.3
111.04466	0.3
117.03381	18.0
119.08572	0.5
121.10136	0.3
121.35612	0.2
125.26131	0.2
127.02979	0.3
127.03925	4.8
134.03632	1.2
135.04448	1.0
145.02850	46.6
146.03200	0.3
147.04401	0.3
149.05983	5.8
158.06030	0.3
160.26410	0.2
161.09618	0.2
162.03117	0.2
163.03914	0.5
168.09506	0.2
177.05472	100.0
178.05853	0.3
185.05943	0.2
186.05505	1.1
191.07159	0.2
191.14288	0.5
202.40672	0.2
209.15392	0.6
212.15077	0.2
223.80548	0.2
243.06528	0.5
259.09720	0.3
278.96832	0.2
285.07474	1.4
303.08633	11.7
317.20889	0.2
466.83337	0.2
515.15088	0.5
515.27466	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.3
55.01872	0.3
55.05523	0.2
59.05003	0.2
63.02388	0.3
65.72642	0.2
67.01870	1.8
67.05503	0.4
69.03424	0.6
69.07068	0.4
69.34185	0.2
69.37798	0.2
69.41144	0.4
69.41559	1.1
70.68718	0.2
71.04995	0.3
72.34786	0.2
79.05481	0.2
81.03423	1.8
81.07062	0.5
85.02914	0.6
86.09733	0.2
89.03920	5.7
91.05486	0.6
93.07059	0.4
95.04957	0.3
95.08627	0.3
97.02934	0.4
97.10150	0.2
98.20764	0.3
99.04460	0.7
100.11256	0.3
103.05513	0.2
105.07039	0.5
106.04163	0.3
107.04943	0.4
107.08583	0.5
109.02884	4.5
109.06538	0.2
109.10149	0.4
111.04491	0.3
117.03384	18.3
119.04940	0.2
119.08572	0.4
121.06507	0.2
121.10145	0.2
127.03918	4.7
134.03651	1.2
135.04456	0.9
139.11185	0.2
145.02852	44.6
147.04491	0.3
149.05991	6.1
150.55141	0.2
158.06003	0.3
161.09673	0.2
163.03922	0.7
177.05476	100.0
178.05804	0.3
186.05492	1.5
243.06425	0.6
255.83090	0.3
259.09634	0.3
262.11768	0.2
285.07654	1.4
303.08643	11.3
317.21143	0.3
353.22852	0.3
423.73340	0.2
515.26251	0.5
515.35553	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
54.05162	0.2
61.67489	0.2
61.67881	0.2
63.02384	0.5
67.01862	2.0
70.56640	0.7
71.04989	0.2
78.04698	0.5
81.03433	1.5
83.60281	0.3
85.02890	0.3
89.03921	5.9
91.05489	0.8
99.04433	0.5
106.04150	0.3
109.02891	4.2
111.04455	0.3
116.49574	0.2
117.03391	18.3
121.06522	0.3
127.03931	4.6
134.03622	1.0
135.04439	0.7
140.86006	0.2
145.02855	48.2
149.05997	5.6
163.03926	0.3
177.05479	100.0
178.05876	0.3
184.21574	0.3
185.06122	0.3
186.05499	1.1
243.06544	0.9
257.08109	0.3
285.07648	1.5
296.10007	0.3
303.08633	10.8
515.15515	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.05500	0.7
56.96572	0.6
57.03416	1.0
66.64284	0.6
67.01818	0.7
67.05489	2.9
69.03438	8.4
69.07040	2.2
69.27009	3.9
69.27431	2.0
70.06572	0.6
71.04978	1.9
73.02898	1.4
79.05483	2.6
81.03431	7.9
81.07061	5.1
83.04975	2.7
85.02906	11.7
86.09717	0.8
89.03905	3.1
91.05475	2.3
93.07043	2.9
95.04977	2.9
95.08618	3.3
97.02899	4.5
99.04453	6.6
99.08058	0.7
103.03339	0.7
103.03955	11.3
105.07033	3.9
107.04961	1.2
107.08611	8.7
109.02893	7.7
109.06516	4.6
109.10156	3.1
117.03376	9.0
117.06976	1.0
119.08582	2.7
121.06516	1.4
121.10168	9.3
122.07260	2.2
123.08091	3.9
123.11720	3.8
123.12466	0.7
127.03930	20.3
131.08537	1.4
133.06494	1.9
133.10136	14.9
134.03639	0.9
135.04422	0.9
135.08049	2.6
135.11713	1.0
137.09618	13.7
137.13284	0.8
145.02856	26.7
145.04907	5.9
145.10101	1.2
147.11682	2.0
149.05978	3.0
149.09631	5.1
149.13269	6.6
151.11192	15.9
163.03931	1.0
163.06056	3.3
163.14798	0.8
165.12767	36.7
171.23004	0.7
173.13258	2.1
174.68686	0.7
174.70982	0.7
177.05478	57.1
181.32950	0.6
185.61336	0.6
187.06007	1.2
191.14319	16.7
193.15912	2.8
207.13834	0.8
209.15376	100.0
238.77036	0.7
241.07294	0.7
265.84143	0.8
271.08252	0.9
275.20212	0.8
276.20267	0.8
285.07742	0.8
303.08679	6.8
472.31833	2.5
515.19678	2.1
542.54230	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.05509	2.7
55.50007	0.6
57.07054	0.7
57.53218	0.5
58.95752	0.7
67.05520	3.1
69.03429	8.7
69.07065	2.5
70.72869	1.3
70.73219	0.6
71.04995	1.4
79.05493	7.3
81.03413	3.6
81.07055	9.6
83.04967	3.4
83.08651	1.1
85.02913	14.1
91.05473	5.8
93.07059	3.2
95.04970	1.5
95.08609	2.6
97.02903	3.9
97.06558	1.0
97.10181	1.2
99.04471	7.4
103.03950	15.6
105.07025	5.7
107.04971	6.0
107.08604	25.1
109.02896	4.5
109.06538	3.5
109.10149	6.0
115.05444	1.3
117.07014	2.2
118.30257	0.6
119.08597	3.3
121.06509	2.2
121.10158	10.4
122.07281	4.1
123.08060	1.0
127.03924	19.1
131.08553	2.9
132.99638	0.8
133.10141	91.1
133.80453	0.7
134.10461	0.7
135.08060	10.3
135.11731	1.7
137.09630	54.1
139.11206	1.0
145.02884	1.8
145.04984	12.2
145.10144	1.4
146.32359	0.7
147.11668	2.3
149.09650	2.2
149.13257	10.3
158.10934	1.2
163.06027	7.8
163.14799	1.5
172.94977	0.6
172.99168	0.6
173.13268	7.3
177.05531	3.5
177.06860	0.5
187.06041	1.1
191.00121	1.7
191.14322	100.0
205.06926	0.9
209.15414	5.8
253.07263	0.8
271.08133	1.9
289.09265	1.2
305.07114	0.9
307.10266	2.6
307.22852	0.9
317.21039	0.7
327.83496	0.7
335.18512	0.9
442.52676	0.6
515.19116	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	515.2854
Annotation	Tricalysioside H
Peak:m/z	Relative Intensity
55.05505	0.7
61.03860	0.5
67.05499	2.4
69.03430	2.6
69.07067	1.1
70.06574	0.8
71.51662	0.7
79.05492	2.7
81.03427	1.6
81.07057	4.1
83.04987	1.0
83.08652	0.6
85.02913	4.5
86.09712	1.1
91.03985	0.6
91.05482	2.8
92.16636	0.6
93.07046	5.0
95.04939	0.9
95.08607	4.9
97.02880	1.1
97.06570	1.0
103.03886	0.5
105.07034	4.4
107.08588	7.6
109.02882	1.6
109.06487	1.1
109.10184	2.9
111.08087	0.8
117.07027	0.6
119.08591	4.0
120.36969	0.5
121.06465	1.0
121.10162	4.1
123.08061	1.3
123.11712	0.9
125.09625	0.5
127.03918	1.9
131.08539	2.9
133.10144	2.3
135.08047	2.9
135.11684	3.7
137.06058	0.6
137.09622	0.7
143.08553	1.6
145.04935	0.8
145.06621	0.7
145.10139	3.3
147.08031	1.3
147.11656	1.8
149.09636	1.6
151.11115	0.6
155.08571	1.4
155.11809	1.5
156.47823	0.6
157.10106	1.9
159.11726	3.1
161.09633	5.6
163.03828	0.7
163.11095	0.8
167.08403	0.7
169.10202	1.4
171.08063	0.8
171.11703	2.0
173.09743	0.9
173.13301	1.5
175.11183	1.6
181.10194	1.6
183.11720	1.9
185.09630	1.4
185.13268	1.7
187.11183	2.3
189.12822	0.8
191.14333	1.1
195.11682	1.9
197.13254	1.7
199.11174	1.2
199.14867	1.3
201.12663	0.7
208.12526	0.6
209.13322	2.3
209.15234	1.0
211.14835	2.8
213.12604	2.6
213.16264	0.7
215.14371	0.9
223.07594	0.7
223.14789	1.2
225.12738	0.7
225.16351	1.4
227.14317	1.8
227.17914	1.6
229.15906	1.2
229.45622	0.6
239.14291	0.6
239.17899	1.4
241.15776	1.5
241.19452	1.4
243.17448	3.3
250.48694	0.5
251.07056	0.6
251.18021	2.0
253.07352	0.6
257.19009	5.9
269.19006	8.2
270.99228	0.6
273.18506	0.8
281.18988	0.7
287.20062	23.9
295.06058	1.9
299.19965	2.3
305.21118	45.2
313.07074	1.0
317.20975	2.9
335.22223	6.7
353.23227	100.0
394.70663	0.6
399.01691	0.7
454.34973	0.9
515.26746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61404	0.4
55.05516	0.5
57.03422	0.5
65.37349	0.4
67.05497	1.4
69.07063	0.8
71.54108	0.4
79.05474	0.9
81.07057	2.1
83.08622	0.7
83.14384	0.4
85.02901	0.6
86.81197	0.4
91.05489	0.9
93.07044	0.9
95.08617	1.0
97.10177	1.2
105.07038	0.7
107.08600	0.8
119.08591	0.6
121.10146	0.8
131.08549	0.6
135.11678	0.6
135.86766	0.4
147.11682	0.5
265.25299	0.7
339.29077	0.7
475.86661	0.5
515.31885	100.0
516.31897	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.05509	19.8
57.03438	13.1
57.07069	3.9
61.02907	8.4
64.24081	4.4
67.05181	6.9
67.05511	83.7
69.03423	13.7
69.07066	14.9
69.36268	5.0
72.44183	5.0
79.05497	59.6
81.03414	10.8
81.07065	100.0
83.04968	8.2
83.08624	12.9
85.02924	10.7
85.06508	6.8
88.29552	3.9
91.05483	36.6
93.07045	61.4
95.04948	7.8
95.08611	72.3
97.02902	9.0
97.06512	8.5
97.10142	4.8
99.08086	5.9
103.03925	4.8
105.07042	35.2
107.08606	43.2
109.06498	6.2
109.10167	37.0
117.07031	17.1
117.63858	3.9
119.08587	25.5
121.06548	5.7
121.10140	35.5
123.11720	23.1
127.56315	4.3
129.07024	6.5
131.08583	25.7
133.10135	25.7
135.08035	7.3
135.11725	26.6
140.37294	4.9
143.08554	9.6
145.10143	16.2
147.11644	17.5
149.13266	18.0
151.07524	5.1
157.10135	8.4
159.11760	22.0
161.13202	8.5
163.14871	13.0
173.13284	13.3
175.07491	4.5
177.16403	4.9
187.14853	8.3
243.21112	21.9
261.22128	65.9
286.62601	4.7
303.23184	11.6
335.25809	23.0
345.24326	11.5
353.26837	15.1
369.24417	6.4
387.25137	5.1
405.26266	5.8
419.27850	10.0
461.28845	8.7
497.31064	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.8
55.01880	2.7
55.05276	1.6
55.05513	17.9
57.03439	9.9
57.07065	2.9
61.02919	6.3
62.78870	1.4
65.03930	4.1
67.05509	92.8
69.03439	7.7
69.03763	1.6
69.06721	2.3
69.07071	21.1
70.35174	2.5
70.35527	4.4
71.01344	2.1
71.04985	3.8
73.02920	3.8
75.04460	1.7
79.05495	54.8
81.03402	3.3
81.07058	100.0
83.04971	4.9
83.08620	8.6
85.02909	7.9
85.06554	2.3
91.03937	3.7
91.05483	29.5
93.07048	68.4
95.04952	4.7
95.08611	76.3
97.02878	4.9
97.06523	4.6
97.10158	4.4
98.21512	1.9
99.08083	4.2
103.03916	1.7
103.05486	1.4
105.07039	30.0
107.08599	47.4
109.06527	3.5
109.10162	42.6
111.08092	3.7
113.09612	2.2
115.05391	1.7
117.07021	17.0
119.08583	24.5
121.10147	36.0
123.08067	2.9
123.11716	22.2
125.09597	2.5
127.03941	3.6
129.05486	1.7
129.07007	3.9
131.08580	26.9
133.10135	19.4
135.08002	2.4
135.11699	32.7
137.09621	3.0
137.13242	7.9
143.08528	4.1
145.10141	23.3
145.51074	1.4
147.11696	14.2
149.09552	2.5
149.13284	23.5
151.11221	2.7
151.14793	2.1
153.12759	2.3
157.10120	1.8
159.11707	17.6
161.13228	12.9
163.11166	1.9
163.14832	16.3
165.12779	3.5
173.13286	19.6
175.14816	4.6
177.12834	2.4
177.16344	6.2
179.14330	2.1
185.13225	2.0
187.14822	13.1
189.16428	2.3
191.14310	2.2
199.15004	1.6
201.16447	3.4
205.15871	3.0
215.17886	1.8
230.06747	1.4
233.22716	4.1
243.21092	26.7
261.22150	97.0
279.23218	4.4
301.21637	2.1
303.23181	3.7
319.22684	1.8
335.25830	31.1
335.70865	1.7
345.24323	3.5
353.26929	27.2
363.25168	1.7
369.24240	4.5
387.25360	2.2
419.28006	5.1
443.27744	2.2
461.29166	3.6
479.29599	3.5
497.31317	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01876	2.6
55.05518	17.6
57.03439	5.5
57.07078	6.3
61.02931	3.3
65.03937	3.6
67.05511	84.2
69.03425	7.5
69.07076	17.2
70.30499	6.1
71.04998	2.3
73.02927	4.4
73.26953	1.8
79.05499	57.1
81.03452	4.4
81.07066	90.0
83.04967	2.2
83.08637	10.6
85.02913	5.3
91.03943	2.9
91.05492	36.4
93.06487	4.0
93.07056	72.3
95.01331	2.1
95.04980	6.8
95.08620	75.7
97.02888	3.7
97.06518	6.1
97.10191	4.0
99.08105	3.9
105.07035	24.7
107.08602	42.8
109.06519	5.4
109.10162	37.7
111.04469	3.0
111.08098	3.7
113.09652	2.8
117.07020	16.9
119.08597	25.5
119.40549	2.2
121.09330	3.2
121.10157	40.4
123.08080	4.2
123.11728	20.0
129.06973	2.7
131.08591	30.6
133.10167	20.8
135.08098	2.1
135.11693	32.4
137.13271	6.3
139.11183	2.0
143.08524	3.8
145.10156	20.2
147.11708	14.0
149.13275	26.3
149.76701	2.2
151.14848	1.9
157.10234	3.0
159.08101	2.4
159.11722	22.7
161.09514	2.3
161.13286	14.5
163.14816	14.0
165.12685	3.4
171.11668	4.2
173.13278	23.3
175.14835	6.1
177.16405	5.1
179.14395	2.6
183.11678	2.5
187.14896	9.9
189.12753	2.1
191.14366	3.1
199.14755	2.2
201.16423	3.2
205.15874	2.3
215.17888	2.2
219.17445	2.5
233.22600	2.9
243.21075	38.2
257.38873	2.1
261.22171	100.0
303.23154	3.1
327.23053	2.1
335.25790	17.0
353.26782	22.2
369.24197	5.0
377.27155	3.6
387.25327	3.5
405.26395	3.1
419.28043	2.7
443.27432	2.2
461.28781	3.6
473.19556	5.7
479.30219	2.9
497.31018	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	515.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89736	4.3
53.03925	4.9
55.05513	19.5
57.03431	5.8
57.07058	4.3
59.19878	4.1
59.30510	3.9
61.02934	5.7
65.53432	4.6
67.05509	80.9
69.03423	14.0
69.07079	23.5
69.33759	36.9
76.12981	4.7
79.05494	58.8
81.03425	10.9
81.07066	100.0
83.04980	7.4
83.08630	9.7
84.04510	9.4
84.44936	4.8
85.02898	8.9
85.06492	5.1
86.09735	5.8
87.95972	4.1
91.05495	44.8
93.07048	67.6
95.04958	10.2
95.08618	69.6
97.02883	7.1
97.06557	6.5
99.04455	4.9
99.08141	4.9
101.07156	7.1
105.07035	38.6
107.04959	7.1
107.08598	45.0
109.06525	9.5
109.10159	29.1
111.08086	9.4
117.07016	18.9
119.08570	26.4
121.06506	6.3
121.10162	30.7
123.11717	14.6
129.07022	10.1
131.08571	32.8
133.10136	21.6
135.11714	29.5
137.13216	8.8
142.73138	4.7
143.08557	9.3
145.10147	19.4
147.07986	7.8
147.11690	17.1
149.13272	27.0
155.08582	5.4
157.10193	8.2
159.11723	16.5
161.09634	7.2
161.13243	12.8
163.14816	13.0
171.11684	7.4
173.13298	15.7
184.07292	6.0
185.13216	7.0
187.14865	11.9
227.48158	4.2
243.21150	20.4
261.22183	61.9
279.23242	5.8
335.25760	10.6
345.24139	10.0
351.22876	6.3
353.26917	23.7
364.36758	5.0
369.24335	10.8
387.25235	12.6
405.26462	5.9
419.28055	7.7
437.28580	4.9
443.27841	5.8
460.24838	5.3
461.29343	6.2
479.30081	8.0
497.31500	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	516.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31347	0.2
55.05484	0.3
56.05018	0.3
58.06603	0.5
60.08166	6.1
67.05494	1.1
71.07369	3.2
71.53172	0.3
76.49677	0.2
79.05499	0.5
81.07058	0.9
86.09708	30.8
91.05457	0.5
93.07033	0.7
95.08573	0.3
98.29778	0.2
98.98460	3.1
104.10748	4.9
104.75800	0.2
105.07037	0.3
109.10187	0.3
119.08583	0.3
121.83060	0.2
125.00006	21.6
184.07343	100.0
498.30045	1.7
516.30914	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	516.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40575	2.5
53.03946	7.0
55.01865	8.3
55.05516	65.0
55.89284	2.6
57.03431	6.1
57.07072	2.4
59.04316	2.0
59.04996	4.8
61.62213	2.3
61.77726	2.3
67.05509	100.0
69.03422	5.0
69.07067	11.5
71.01343	2.5
71.04985	4.2
73.02917	5.4
79.05496	24.4
79.91420	2.2
81.03419	15.1
81.07063	34.8
83.01348	3.7
83.04978	12.2
83.08631	27.9
85.02905	23.3
85.06528	2.7
86.09678	2.5
87.04488	11.6
91.05483	18.3
93.07056	15.7
95.04955	5.3
95.08619	18.0
97.02898	6.4
97.06535	6.9
97.10175	42.6
98.20727	4.5
104.10669	2.5
105.07029	10.8
107.04970	7.0
107.08597	20.9
109.10162	68.1
111.04462	2.9
111.08074	4.0
114.83848	2.6
117.07037	8.1
119.08566	16.0
121.06545	2.4
121.10144	6.6
123.08055	6.0
124.65501	2.4
125.09643	49.5
131.08554	6.1
133.10150	3.7
135.11684	7.4
137.09654	4.7
143.10661	7.7
145.10117	15.9
147.08046	3.6
153.12732	5.0
155.08641	2.9
155.10674	13.6
157.12260	3.2
158.44638	2.3
163.11179	32.0
173.09695	11.8
173.11749	70.1
173.13211	4.5
176.41042	2.3
181.12286	6.7
187.13359	2.5
191.10680	11.2
198.83899	2.3
209.11766	30.3
223.13301	5.3
227.12796	10.6
229.24251	2.5
241.14397	3.0
313.27362	8.9
516.38538	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	517.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
53.28333	0.5
55.05272	0.7
55.05511	7.0
57.03439	1.3
57.07057	1.5
59.05013	1.5
65.03898	0.6
67.05508	12.2
69.03433	6.4
69.07068	11.9
70.03474	1.7
70.03873	1.2
71.04987	2.9
71.08633	0.9
79.05522	2.7
81.03417	5.4
81.06594	0.8
81.07060	14.4
83.04988	8.0
83.08626	4.2
83.84124	0.5
85.02441	0.8
85.02910	10.6
85.06539	1.5
87.04463	0.7
91.05502	2.8
93.07041	8.2
95.04971	1.7
95.08612	26.0
97.02895	4.5
97.06526	1.6
97.10188	4.0
99.04461	7.7
99.08099	2.8
103.03954	11.1
105.07030	5.9
107.04932	0.8
107.07872	1.2
107.08591	16.6
109.02884	4.6
109.06535	7.8
109.10162	72.3
111.08086	2.5
111.11693	1.3
112.85406	0.6
119.08585	25.5
121.10157	10.1
123.08073	9.4
123.11711	7.1
125.09600	0.8
127.03928	16.5
131.08589	0.7
133.10147	14.6
135.11696	66.9
137.09624	13.5
139.11163	4.1
145.02896	0.8
145.04958	7.2
145.10097	1.9
147.11682	1.8
149.13243	4.7
151.11179	6.9
151.14830	8.9
153.12730	2.4
157.12228	1.4
159.11671	0.8
160.12373	0.6
163.03934	10.8
163.06012	3.5
163.11270	0.6
165.12860	0.7
165.16403	2.3
173.13235	0.7
175.14830	29.5
177.05426	0.5
178.03239	0.7
188.01639	2.0
193.15889	43.5
206.02603	0.8
208.53912	0.5
211.16942	100.0
212.17368	0.8
216.01210	1.6
234.02182	7.0
301.21765	0.9
319.22635	1.3
337.05066	0.6
344.55972	0.6
355.06396	0.7
411.81665	0.7
463.27686	0.6
481.27780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.01868	1.1
55.05508	13.1
55.05760	1.1
57.03433	1.9
57.07076	2.6
59.05001	2.0
67.05505	19.0
69.03432	10.4
69.07069	21.3
70.03082	2.6
71.04994	3.0
71.08633	0.9
72.37477	0.6
73.02936	0.7
77.03898	0.6
79.05489	7.3
81.03418	10.3
81.07053	23.6
83.04978	10.4
83.08615	5.3
85.02908	11.8
85.06544	2.7
85.17513	0.6
87.04465	2.2
89.03947	0.7
91.05470	6.0
92.00301	0.6
93.07041	16.1
95.04982	4.1
95.08609	32.2
95.55534	0.6
97.02900	6.6
97.06522	5.6
97.10164	11.5
99.04460	10.6
99.08093	3.1
103.03937	12.0
105.07031	9.7
107.04963	2.6
107.08595	24.2
109.02886	10.8
109.06519	9.6
109.10155	84.2
111.04449	0.8
111.08078	3.7
111.11735	4.5
113.02357	1.3
113.09647	2.1
115.11220	0.6
117.03365	1.0
117.07014	1.1
119.08577	30.0
121.06525	1.5
121.10146	17.7
123.04456	1.3
123.08066	11.5
123.11703	9.5
125.09635	2.3
127.03913	19.2
127.11236	1.0
129.07018	0.8
131.08583	3.6
133.10129	20.8
135.04419	2.7
135.08055	1.6
135.11690	75.5
136.91612	0.6
137.09625	16.8
137.13197	1.0
138.10390	0.7
139.11188	11.6
143.08571	1.8
145.02852	2.7
145.04953	7.2
145.10085	4.4
147.08070	1.0
147.11682	2.8
149.09610	2.2
149.13271	6.9
149.59219	0.6
150.03609	0.7
151.11186	9.6
151.14809	8.6
153.12727	3.7
155.10550	0.9
157.10138	2.1
157.12215	5.5
159.11679	3.3
160.02147	1.4
161.09622	2.0
161.13232	1.1
163.03900	35.5
163.05905	3.6
163.11185	2.6
164.01643	0.6
165.09058	0.8
165.12799	1.5
165.16391	2.7
167.10706	1.2
171.11650	1.1
173.13225	3.4
175.11266	0.9
175.14827	32.6
175.44254	0.7
177.05354	0.6
177.12726	0.7
178.03215	1.8
179.10745	1.7
185.13174	0.9
187.06017	0.9
187.14836	0.7
188.01645	10.7
191.14375	0.8
192.01230	0.8
193.15878	39.8
199.14836	0.8
201.04247	0.7
201.12723	2.0
203.10970	0.6
203.12822	1.6
206.02682	2.5
211.16928	100.0
215.17854	1.0
216.01068	4.2
234.02203	29.7
271.08072	0.9
273.22058	1.1
275.19962	0.9
283.20587	0.9
289.09409	0.6
291.04343	1.7
291.23157	2.0
293.21124	0.6
301.21564	5.2
307.22662	0.9
309.05353	0.9
319.22617	5.5
337.04791	2.4
337.23776	2.0
349.05618	1.0
355.05887	1.8
427.24811	1.1
445.25632	1.0
463.26587	2.3
481.27994	4.5
485.19894	0.8
517.08606	1.1
517.21985	2.0
517.28882	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62083	0.5
53.03942	1.8
55.01872	1.2
55.05271	1.0
55.05515	11.8
56.88845	0.6
57.03435	1.1
57.07067	2.4
59.02310	0.7
59.04993	2.1
59.97562	0.5
65.03937	0.9
67.05512	15.1
69.03435	11.4
69.07073	19.2
70.78130	1.1
71.04991	3.1
79.05497	5.6
81.03426	9.4
81.06591	1.4
81.07063	22.2
81.91608	0.7
83.04984	9.8
83.08617	6.0
85.02911	12.7
85.06544	3.2
87.04461	2.5
87.08095	0.9
89.03928	1.1
91.05490	5.2
91.05991	0.9
93.07054	14.1
95.04977	4.8
95.08614	31.4
97.02902	7.2
97.06545	5.0
97.10174	11.7
99.04462	9.3
99.08075	3.6
102.04662	0.6
103.03952	13.6
103.05454	0.8
105.06393	0.9
105.07035	8.1
107.04956	1.3
107.08601	20.4
108.29513	0.6
109.02885	8.1
109.06534	7.6
109.10163	79.9
111.08100	3.8
111.11710	3.7
113.02382	1.3
113.09655	2.6
117.03378	1.2
117.07014	1.7
119.08592	26.2
121.06521	0.7
121.10152	16.0
123.04479	0.8
123.08071	11.2
123.11707	8.1
125.09663	1.8
127.03925	18.4
127.11165	0.8
131.08566	2.1
133.06526	0.8
133.10138	19.1
134.10538	0.6
135.04413	2.5
135.08076	1.7
135.11702	74.5
137.09628	14.9
138.10384	0.8
139.07539	0.7
139.11188	10.6
143.08525	1.1
145.02866	2.2
145.04982	5.6
145.10132	3.2
147.08125	0.8
147.11693	2.7
149.09630	1.4
149.13248	6.1
151.11212	10.6
151.14813	9.3
153.12776	3.2
155.10686	0.6
157.05247	1.2
157.10124	1.7
157.12253	4.2
158.10881	1.0
159.11714	4.1
160.02109	1.0
161.09650	1.3
161.13278	1.1
163.03928	30.9
163.05942	3.5
163.11171	2.1
165.12778	0.9
165.16388	2.4
173.13277	2.6
175.11235	0.9
175.14838	32.1
178.03256	1.5
179.10747	1.2
181.12196	0.7
185.13234	1.2
187.06061	1.1
188.01672	8.2
191.03928	0.9
191.14366	0.8
192.01106	1.0
193.15894	44.5
201.04202	1.3
201.12747	2.3
203.12813	1.8
206.02687	1.7
211.16946	100.0
212.17393	0.8
216.01222	2.4
219.17645	0.7
229.12283	0.7
234.02228	28.8
247.20656	0.7
252.03188	0.7
271.08139	0.9
273.22174	1.9
280.02859	1.1
283.20605	1.0
291.04327	1.4
291.23132	2.2
293.21234	1.0
301.21664	4.1
301.24533	0.7
307.10318	0.9
307.22736	1.0
319.22699	5.7
337.04904	2.3
337.23679	2.4
355.05844	1.4
355.24902	1.1
376.92480	0.7
381.24268	0.7
398.68008	0.7
411.80768	0.8
427.24951	0.9
445.26007	1.3
463.27029	2.5
468.24597	0.7
481.28342	3.0
499.29034	0.7
517.09198	1.1
517.21796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	22.6
56.34985	3.1
57.03426	7.4
57.07071	12.0
61.02909	3.4
66.50029	3.2
67.05513	91.6
69.03418	4.0
69.07072	29.9
70.18727	3.0
71.08616	6.5
71.52779	4.0
79.05503	27.1
81.07063	100.0
83.04983	4.9
83.08631	29.6
85.06557	5.1
85.10174	4.2
85.89532	3.7
86.09697	4.2
91.05486	29.9
93.07056	28.2
95.08615	90.0
97.02902	5.2
97.06521	4.3
97.10185	17.8
99.08109	3.6
104.10741	8.1
105.07048	19.4
107.08602	27.6
109.10168	43.2
111.08091	4.0
115.42801	3.8
117.06978	5.5
119.08568	15.8
121.06548	3.6
121.10133	20.1
121.89304	3.3
123.11709	22.9
133.10127	18.2
135.11717	14.1
137.09375	3.5
137.13301	7.1
147.11685	13.7
149.13284	10.2
151.14767	7.0
152.70659	3.9
161.13266	19.1
163.14856	10.0
165.16354	12.0
175.14812	13.8
177.16357	3.6
179.14336	3.8
179.18005	7.7
184.07402	11.8
189.16365	10.0
213.52998	3.1
245.22664	51.9
263.21100	6.5
263.23734	77.0
264.56464	3.6
330.78287	3.4
337.27383	76.8
499.32846	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03956	2.3
55.05511	12.1
57.03433	3.7
57.07066	1.6
58.93906	1.0
65.03939	1.3
66.92061	1.1
67.05504	23.8
69.07072	10.6
79.05502	15.4
79.05933	1.9
81.07062	29.1
83.04990	2.1
83.08633	6.1
85.06522	1.3
91.05488	17.6
93.07048	22.9
95.04942	2.0
95.08608	21.3
97.06528	2.8
97.10167	2.3
99.08151	1.2
105.07034	18.6
107.08597	15.7
109.06525	1.7
109.10156	10.0
111.08073	1.1
117.06986	5.5
118.33858	0.8
119.08582	18.9
119.09371	1.6
121.10150	12.2
123.11716	2.8
125.09621	1.7
128.62360	1.0
129.07028	3.6
131.08562	15.0
133.10115	14.2
135.11691	5.5
143.08582	4.0
145.10130	12.6
147.11690	10.1
149.13263	5.8
155.08527	1.3
157.10158	3.9
159.11699	9.9
161.13223	4.6
163.11240	1.4
163.14865	2.0
169.10104	1.5
171.11737	4.4
173.13225	6.8
175.14865	3.1
177.16367	1.0
183.11729	2.8
185.13272	4.1
187.14899	3.7
191.14381	1.2
197.13226	1.1
199.14830	3.3
201.16362	2.0
203.14479	1.1
211.14835	1.2
241.17879	2.6
259.20654	3.2
271.20602	1.2
273.22247	1.5
285.22263	1.2
287.23734	1.7
299.23837	1.4
317.24960	1.2
322.35803	1.0
331.26413	1.5
333.24347	1.7
345.28314	1.3
347.25540	1.0
405.30197	1.4
407.33301	3.2
421.29340	1.1
425.34213	7.9
425.39331	1.2
443.35245	3.8
499.37830	15.5
517.38885	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.56448	0.9
50.72857	0.9
53.03934	2.5
55.05516	11.2
57.03426	2.7
57.07067	1.8
65.03933	1.7
67.05508	24.7
69.07081	11.8
70.58389	2.1
70.75546	0.8
71.04980	1.8
79.05494	17.0
81.07060	26.8
83.04976	1.6
83.08617	7.2
85.06545	1.6
91.05486	13.4
93.07047	24.6
95.04978	1.7
95.08612	25.9
97.06519	2.0
97.10167	2.2
99.08052	0.9
102.24153	1.0
105.04572	1.0
105.07037	18.8
107.08605	12.8
109.10161	11.0
111.08090	1.8
117.07041	5.9
119.08591	18.2
121.10157	11.2
123.11721	3.6
125.09648	1.2
129.07031	3.3
131.07571	1.3
131.08572	10.8
133.10141	13.5
135.11705	7.3
137.13400	0.9
141.06990	1.2
143.08556	4.5
145.10141	13.4
147.11673	9.3
149.13287	4.5
155.08540	2.2
157.10167	4.4
159.11700	9.8
161.13234	7.2
163.14867	1.3
169.10152	2.8
171.11661	5.9
173.13269	6.5
175.14836	3.2
183.11707	3.0
185.13316	3.1
187.14833	4.1
189.16389	1.2
195.11696	1.0
197.13248	2.0
199.14830	2.2
201.16379	1.4
207.11613	1.3
211.14833	1.2
213.16496	1.4
215.17950	1.3
225.16313	1.5
233.18976	1.3
241.18033	3.5
245.19029	1.2
257.19180	1.3
259.20645	2.3
261.22079	0.9
287.23749	1.3
299.23859	1.5
323.70865	1.0
327.27081	1.7
331.26318	1.1
333.24423	1.2
391.28439	1.2
405.30109	2.5
407.33194	2.6
425.34131	11.1
443.35260	3.8
499.37854	16.0
517.38953	100.0
518.38855	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70569	0.3
56.05027	0.5
58.06604	0.6
59.07391	0.3
60.07891	0.4
60.08166	6.3
67.05494	0.6
69.83353	1.2
71.07369	2.8
81.07070	0.4
86.04034	0.2
86.09708	28.7
93.07086	0.2
93.43530	0.2
98.98463	3.3
104.10759	2.6
113.40562	0.2
116.75546	0.2
125.00008	19.0
184.07346	100.0
223.20178	0.3
326.27597	0.2
376.03220	0.2
500.31415	1.3
518.32513	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	518.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56587	0.4
51.55260	0.4
55.05507	1.1
56.05031	1.1
58.06606	1.8
60.08167	19.4
67.05504	2.8
69.07054	0.9
69.21576	4.2
69.21912	0.9
71.07378	7.9
79.05479	2.0
81.07059	2.2
86.09708	54.5
91.05486	0.9
93.07034	2.0
95.08601	1.9
98.98473	4.6
104.10748	100.0
105.07050	0.5
107.08581	0.7
108.73788	0.4
120.77756	0.5
121.10111	0.5
125.00011	31.7
139.61273	0.4
140.66222	0.4
163.01566	0.5
173.46730	0.4
184.07347	90.3
258.11020	0.9
475.23257	0.5
500.24609	0.8
500.31360	7.7
518.32483	34.7
542.81787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70329	0.3
61.02965	0.3
67.05516	0.4
67.19802	0.3
69.07063	0.5
69.36682	1.4
69.37089	0.6
70.06586	0.3
72.08182	0.4
81.03411	0.4
81.07077	0.8
83.04997	0.4
84.04508	0.8
84.08161	0.4
85.02909	0.7
86.09734	0.3
91.05453	0.4
93.07041	0.6
95.04963	0.5
95.08636	0.5
99.04469	0.3
105.07044	0.4
107.08606	0.4
109.02899	0.6
109.06559	0.3
109.10165	0.7
119.08611	0.6
121.10187	0.5
123.11696	0.3
127.03935	0.6
133.10211	0.4
136.16388	0.3
163.03906	0.5
167.05612	0.3
167.68045	0.3
275.75885	0.3
299.06287	0.6
357.18790	3.9
459.22241	0.6
487.21594	1.1
501.22778	0.4
518.76703	0.5
519.24225	100.0
520.24554	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03731	0.2
55.01871	0.3
55.05495	0.2
67.05481	0.2
69.03392	0.3
70.06585	0.5
71.52177	0.3
78.89951	0.2
81.03388	0.3
81.07047	0.5
85.02928	0.5
93.07083	0.3
93.78453	0.2
95.08615	0.6
97.06524	0.3
99.04439	0.3
105.07038	0.5
109.02911	0.4
111.04414	0.3
121.10175	0.4
123.04451	0.3
127.03909	0.4
133.10094	0.2
146.20506	0.2
147.11710	0.3
163.03938	0.4
167.05673	0.3
181.05016	0.3
199.55650	0.3
203.05318	0.7
259.07837	1.2
265.05099	0.3
283.06158	0.5
283.15244	0.6
294.05209	0.3
299.06396	0.3
321.04083	0.3
325.15900	0.3
343.68164	0.2
357.18829	2.5
459.21759	0.5
466.38718	0.2
469.20761	0.2
487.21548	1.1
501.23056	0.3
519.24188	100.0
520.24457	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	519.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65274	2.2
52.22520	2.6
53.03938	5.0
55.05518	12.7
57.03431	3.2
57.07082	4.5
61.02934	5.2
67.05500	15.7
69.03425	13.3
69.07078	23.2
69.77594	6.3
69.77999	7.2
71.05000	6.4
75.12310	2.5
79.05506	12.3
81.03424	8.5
81.07056	35.0
83.04972	6.0
83.08620	9.0
85.02911	61.5
85.06580	5.9
86.09702	5.1
91.05488	10.4
93.07053	26.3
95.04989	7.4
95.08608	54.7
95.74384	2.7
97.02888	11.8
97.06533	5.2
97.10185	8.0
98.97581	3.1
99.04451	31.0
99.08105	11.8
100.11268	5.3
103.03950	66.9
105.07037	26.4
107.08604	40.4
109.02901	14.9
109.06493	5.0
109.10154	25.0
111.08108	4.5
115.07629	2.9
119.08585	25.6
121.06491	4.5
121.10155	52.7
123.04398	2.6
123.08076	2.5
123.11707	16.6
125.09608	9.3
127.03921	70.0
131.08595	15.5
133.10135	20.3
135.11694	17.3
137.09625	5.9
137.13280	5.8
143.08522	3.8
145.04968	43.0
145.10149	29.6
147.11693	17.9
149.13243	13.3
151.11220	4.6
157.10117	9.4
159.11702	15.7
161.13310	13.9
163.06010	36.6
163.14804	4.8
165.09119	2.8
167.05492	4.2
169.10110	4.2
171.11690	11.0
173.13277	14.3
175.14850	49.9
177.12729	3.8
177.16397	100.0
183.11774	3.5
185.13284	6.9
187.06015	3.9
187.14891	13.5
189.16399	17.9
193.15903	21.0
195.17451	19.5
199.14838	10.0
201.16345	5.4
203.17944	4.4
205.07031	4.3
205.15866	7.2
207.17514	4.7
211.14871	3.3
213.16417	7.2
213.18517	23.6
215.18005	7.5
217.16010	2.9
223.17120	4.0
225.16605	3.4
227.17923	3.2
243.21091	6.4
255.21036	24.8
261.22418	4.0
267.21097	10.4
271.05853	4.8
273.22116	18.3
273.28201	2.4
285.22150	26.6
289.09180	4.3
291.23199	23.4
293.70050	3.0
299.06180	4.6
303.19983	4.6
303.23141	36.7
307.10278	8.6
309.24286	13.1
321.24265	13.5
339.25397	16.4
357.26172	13.5
438.54828	2.7
518.76581	20.9
519.17865	7.3
519.26025	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	519.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.5
55.01880	4.7
55.05519	19.9
57.03442	6.2
57.07069	4.8
67.05491	20.0
68.36397	3.0
69.03417	18.2
69.07074	27.4
70.06590	4.1
71.04993	10.5
71.51653	3.6
71.52024	3.8
73.04763	4.1
79.05506	17.6
81.03459	17.5
81.06596	5.3
81.07066	63.2
83.04988	4.2
83.08623	15.5
85.02909	62.7
85.06547	5.1
86.09711	5.5
91.05437	18.6
93.07041	36.6
95.04974	7.2
95.08608	59.4
97.02877	18.3
97.06552	9.4
97.10163	6.2
99.04467	26.0
99.08112	13.0
103.03942	57.9
105.07035	40.0
107.08600	55.9
109.02888	19.4
109.06519	11.1
109.10155	38.4
111.08109	9.1
111.09052	3.0
115.07570	5.3
117.06963	5.4
119.08582	41.7
121.06529	4.8
121.10143	68.0
123.04452	6.6
123.11727	19.9
125.09628	11.5
127.03922	75.3
129.07022	3.9
129.90381	3.2
131.08562	21.5
133.10117	32.1
135.11702	23.0
135.38142	4.0
137.09619	6.1
137.13266	6.5
139.11186	5.3
143.08485	7.9
143.10690	3.3
144.09344	3.8
145.04956	38.4
145.10135	53.8
147.11681	29.0
149.13275	15.9
151.11211	6.2
157.10138	14.5
159.11699	30.5
161.09531	4.4
161.13257	17.8
163.06006	38.7
163.11185	5.4
163.14796	8.2
165.09084	4.6
165.12714	5.0
169.10130	10.3
171.11717	13.0
173.13261	26.7
175.14832	84.3
177.12848	4.5
177.16394	100.0
183.11705	8.4
184.07394	3.6
185.13226	11.9
187.06047	3.9
187.14830	17.8
189.16377	30.2
191.14375	4.0
193.15897	34.9
195.17459	22.3
197.13310	9.5
199.14832	16.6
201.16449	8.8
203.17993	6.7
205.15891	9.4
207.17505	9.1
211.14850	7.6
213.16354	9.3
213.18475	13.7
215.14381	5.0
215.17990	14.1
225.16412	7.3
227.17937	7.7
243.17393	4.0
243.21152	6.2
255.21089	35.0
257.22714	9.1
261.22098	5.6
267.21149	17.6
268.40945	3.6
271.06046	14.4
273.22125	24.7
285.22064	44.4
289.09045	4.0
291.23248	34.2
299.06271	6.3
303.23157	56.5
307.10233	13.3
309.24243	24.0
321.24194	29.2
339.25314	23.3
357.26437	24.5
362.96967	3.3
380.15314	3.5
466.98544	4.0
518.76892	26.9
519.26160	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	519.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.2
55.01860	4.3
55.05269	2.8
55.05513	32.6
57.03415	3.6
57.07077	4.4
59.04993	2.5
65.03937	3.1
66.22590	1.9
67.05515	33.9
69.03426	22.6
69.06736	3.1
69.07074	46.6
70.06606	2.4
70.70306	5.9
71.04999	13.9
72.33754	2.4
73.02901	2.4
79.05492	28.2
80.44787	2.0
81.02990	3.5
81.03418	41.5
81.07057	100.0
83.04974	11.1
83.08598	10.5
85.02908	36.9
85.06527	7.7
91.05457	19.7
91.34944	2.1
93.07049	56.6
93.23595	2.4
93.45416	2.1
95.04978	25.1
95.08610	71.6
96.87222	2.5
97.02894	16.3
97.06524	17.1
97.10162	24.2
99.04455	22.4
99.08089	9.3
102.40342	2.4
103.03941	19.1
105.07041	36.6
107.04940	3.1
107.08598	45.8
108.82071	2.1
109.02890	32.7
109.06491	10.6
109.10155	40.9
111.04401	5.5
111.08072	10.9
111.11704	9.9
113.09643	2.9
115.07516	2.3
117.07035	3.1
119.08575	29.5
121.06504	7.4
121.09352	2.6
121.10149	38.8
123.04386	4.5
123.08018	5.4
123.11709	51.8
125.05913	2.8
125.09577	6.5
127.03915	54.3
129.07010	2.6
131.08556	14.3
133.10133	16.9
135.08075	5.1
135.11694	25.1
137.09590	5.5
137.13248	10.7
139.11182	21.6
141.12700	4.4
143.08568	4.0
145.04951	23.3
145.06491	3.8
145.10133	21.1
147.08028	4.0
147.11678	28.7
149.09631	6.3
149.13281	11.9
151.11182	5.9
151.14836	3.8
153.12717	8.3
155.08537	4.1
157.10144	4.9
157.12225	9.5
159.11687	19.1
161.09599	4.2
161.13219	12.2
163.03922	4.6
163.06006	5.8
163.11169	9.6
163.14902	4.0
165.12717	6.4
167.05511	3.7
169.12286	4.6
171.11667	3.6
171.13794	2.7
172.67682	2.4
173.13290	8.8
175.11198	5.6
175.14838	4.8
177.12769	3.3
177.16417	15.2
181.12173	2.8
183.11667	2.5
187.06105	4.2
187.11197	2.6
187.13266	6.3
187.14832	8.1
193.15862	3.4
195.17467	16.8
199.14777	4.0
201.16476	3.0
205.15916	2.4
213.18517	18.8
243.07954	2.5
247.16753	2.7
255.21094	2.4
257.22665	5.3
271.08167	3.2
275.23669	8.5
285.22159	8.7
291.23080	5.4
293.24762	8.8
299.06058	6.8
303.23163	50.8
313.16565	7.0
321.20798	3.8
321.24207	22.4
325.16608	2.7
339.25266	4.3
429.26425	5.4
447.27139	10.4
451.72769	2.9
453.28513	3.1
465.28516	18.3
483.29562	8.1
519.26550	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	520.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	6.0
56.05038	1.1
57.03430	2.7
58.06614	0.9
60.04525	8.8
60.08171	12.2
61.08498	1.8
65.03960	0.8
67.05509	21.2
69.07087	4.8
70.02944	2.0
71.07378	4.8
71.08604	0.8
71.52901	1.1
74.82520	0.7
79.05081	0.5
79.05492	13.5
81.07063	19.2
83.08604	2.5
86.09709	42.5
87.09451	1.2
87.10033	12.6
88.03993	45.6
91.05470	5.9
93.07050	13.9
95.04955	1.6
95.08611	12.8
97.06532	1.1
97.10152	1.2
98.98469	28.4
104.10754	23.9
105.07070	4.8
105.11076	8.0
106.04314	1.2
106.05038	22.0
106.11234	0.8
107.08599	8.7
109.06536	0.9
109.10172	7.8
111.08084	1.4
119.08594	4.6
121.10157	5.2
123.11697	1.8
125.00009	30.4
126.00346	4.7
127.00397	3.9
131.08560	2.8
133.10123	2.6
135.11687	4.5
145.10098	2.4
147.11676	2.3
149.13249	3.1
151.11142	1.0
155.01062	6.6
159.11717	1.8
161.13225	1.7
163.14807	2.4
173.02104	4.7
173.13298	2.0
175.14812	0.8
177.16348	0.7
183.49545	0.7
184.07350	100.0
185.07707	36.8
186.07784	25.2
187.14760	1.0
196.32141	0.7
231.08073	0.7
242.04185	0.8
243.21060	4.4
260.05371	1.6
261.22180	12.2
317.24765	1.7
335.25812	45.7
348.25320	4.2
415.22458	2.7
466.65353	0.8
502.26031	1.5
502.32159	4.0
520.33154	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	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05516	6.0
57.03447	5.7
57.07081	2.0
58.17768	0.8
60.04524	1.3
60.08174	1.3
64.02069	1.0
65.03931	2.3
65.53870	0.9
67.05511	31.1
69.07080	6.4
71.05003	1.3
71.53273	1.3
73.04751	0.8
79.05496	14.5
79.20422	0.8
81.03385	0.9
81.06593	1.5
81.07063	25.2
83.04967	0.9
83.08624	3.2
85.06573	1.6
86.09705	3.2
88.03992	5.5
91.05481	9.4
93.07051	20.7
95.04971	2.0
95.08616	19.8
97.06528	1.8
97.10196	1.4
98.98451	5.0
103.58140	0.9
105.07053	6.0
106.05016	2.1
107.08591	9.8
107.15354	0.9
109.06525	1.1
109.10155	7.5
117.07031	2.9
119.08591	3.5
121.10184	5.0
123.11705	2.0
125.00025	2.9
131.08563	4.0
133.10161	2.6
135.11684	4.9
137.13309	1.2
145.10147	3.3
147.11716	1.8
149.09593	1.1
149.13283	2.8
159.11763	2.2
160.79431	0.9
163.14841	1.5
173.02098	1.7
184.07338	12.1
185.07735	2.7
186.07762	1.5
205.38484	1.0
211.13286	1.5
233.22551	1.2
243.21046	2.1
261.22278	3.2
317.24631	1.9
335.25824	100.0
336.26331	1.0
348.25333	3.1
360.84842	1.1
383.94998	1.0
462.15201	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.05269	0.7
55.05513	7.9
57.03443	6.0
57.07080	0.7
60.04530	0.9
65.03931	1.3
67.05506	29.4
69.07078	6.6
69.89840	1.2
69.90247	1.6
70.02957	0.5
71.04984	0.9
79.05496	14.5
80.67075	0.5
81.07057	22.9
83.08633	2.7
85.06560	0.8
86.09698	1.2
88.03992	7.4
91.05483	5.3
93.06487	1.1
93.07047	16.7
95.05008	0.7
95.08610	15.5
97.06504	1.1
97.10155	1.3
98.20811	0.6
98.98475	5.0
105.07047	3.8
106.05035	1.5
107.08601	5.3
109.10147	6.4
117.06995	1.1
119.08582	3.3
121.10165	5.5
123.11709	1.5
125.00003	0.9
131.08560	1.9
133.10101	2.0
135.11691	2.4
145.10121	1.6
147.11711	0.6
149.13290	1.0
159.11731	1.0
161.13237	0.7
163.14865	0.8
173.02138	1.5
173.13240	1.3
175.15048	0.5
178.24841	0.6
184.07376	4.0
185.07652	1.0
260.05203	0.9
261.22192	1.0
275.19339	0.5
335.25806	100.0
336.26260	0.9
348.25372	2.5
353.60760	0.5
476.74567	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01845	0.9
55.05513	5.4
57.03195	0.6
57.03442	4.4
57.07074	1.6
60.04491	0.8
60.08164	4.4
61.08492	1.2
61.42709	0.6
62.26454	0.6
65.03940	1.7
67.05511	27.6
69.07064	4.5
69.34164	5.0
71.07365	1.7
79.05074	1.2
79.05501	14.8
81.06596	1.4
81.07062	23.6
83.04956	1.0
83.08612	2.9
86.09715	18.8
87.10043	5.2
88.04013	3.6
91.05490	7.7
93.06487	1.1
93.07054	18.4
95.04936	1.2
95.08614	16.2
96.46306	0.7
97.06554	1.2
97.10136	0.8
98.20702	1.3
98.98479	8.0
100.98871	0.9
104.10737	2.3
105.07031	5.4
105.11073	0.7
106.05046	1.3
107.08589	9.0
109.06514	0.9
109.10166	6.3
117.07004	2.6
119.08559	3.3
121.10154	5.1
123.11704	1.9
125.00016	13.3
126.00349	1.5
127.00447	2.6
131.08575	4.7
133.10164	3.3
135.08099	0.7
135.11688	4.0
137.13266	0.9
145.10143	3.3
146.32799	0.6
147.11676	1.4
148.23422	0.8
149.13263	2.5
155.01022	0.8
159.11694	2.7
161.13228	1.4
163.14827	1.7
173.02080	1.9
173.13226	2.4
175.14922	0.9
184.07353	46.3
185.07704	18.5
186.07797	12.8
243.21095	3.3
261.22162	3.1
305.48511	0.7
317.24850	1.0
335.25821	100.0
336.26205	1.0
348.25403	1.1
390.35834	0.7
520.33337	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47977	0.2
55.00270	0.2
55.05500	0.3
56.05032	0.5
57.03406	0.2
58.06370	0.2
58.06609	0.4
60.08170	5.3
67.05509	0.4
69.07082	0.3
69.48574	0.5
69.48994	0.8
71.07041	0.3
71.07384	3.0
80.10476	0.2
81.07060	0.4
82.61890	0.2
83.08638	0.3
86.09713	25.7
93.42004	0.2
94.42712	0.2
95.08592	0.4
98.98468	2.9
104.10751	2.9
125.00014	18.4
184.07353	100.0
193.92259	0.2
222.99748	0.2
250.83374	0.2
258.10934	0.2
502.32947	1.1
520.34125	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	520.3401
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
55.05514	1.1
56.05030	1.3
57.03442	0.4
58.06618	1.1
58.26698	0.3
60.08168	17.1
62.42004	0.4
67.05516	2.7
69.07054	1.3
69.48722	1.4
69.49135	1.3
71.07381	6.4
79.05487	1.1
81.07066	3.0
83.08616	0.5
85.82409	0.4
86.09713	48.3
91.05473	0.6
93.07047	0.8
95.08618	1.6
98.21487	0.9
98.98478	3.6
104.10751	98.2
109.10242	0.5
113.65884	0.4
119.08640	0.4
125.00012	27.3
125.75227	0.4
163.01527	0.7
167.47844	0.4
172.94487	0.5
184.07353	100.0
186.56207	0.4
258.11075	1.3
274.59259	0.4
337.27368	1.0
502.32999	9.8
520.34039	42.5
531.08899	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03751	0.2
53.03950	2.7
55.01861	0.7
55.05502	0.4
57.03435	0.6
61.02913	0.8
67.05502	0.7
69.03431	8.9
69.07077	0.5
70.86948	0.4
70.87272	0.6
71.04983	0.9
73.02904	1.1
73.86308	0.3
79.05489	0.4
81.03423	13.4
81.07059	1.3
85.02435	0.4
85.02909	5.7
86.09701	0.5
87.04476	0.3
91.05459	0.4
92.02612	0.7
93.03413	0.9
93.07037	0.8
95.04992	0.3
95.08603	1.2
97.02892	5.2
99.04453	2.7
103.03940	1.2
103.55634	0.3
105.07026	0.5
107.04955	0.4
107.08566	0.7
109.02889	9.7
109.06532	0.3
109.10180	0.8
111.04417	0.4
111.08101	0.4
115.85992	0.3
119.08632	0.6
121.02889	0.6
121.10131	0.5
123.11719	1.1
126.82459	0.3
127.03928	9.2
131.08577	0.3
133.10107	0.4
135.04459	0.5
135.11700	0.4
137.13226	0.3
139.03917	1.4
139.11230	0.4
145.02791	0.3
145.04927	1.6
151.03914	0.4
153.01826	6.2
163.03908	0.4
165.06978	0.3
187.06017	7.3
187.13234	0.4
201.05441	0.5
203.03383	0.3
205.07062	0.3
217.04955	0.6
218.05840	0.5
227.30310	0.3
228.04240	0.9
229.05008	2.3
231.02849	0.3
243.06500	0.3
245.04517	0.6
246.05237	1.1
249.05568	0.4
256.03638	0.3
257.04440	1.9
270.26926	0.3
273.03943	1.3
274.04712	3.2
284.03125	0.5
285.03943	3.7
295.05743	0.7
302.04239	9.6
305.24646	0.5
317.06570	100.0
318.07062	0.6
323.05472	0.6
324.44418	0.3
341.06543	0.4
521.27039	3.3
547.35126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1291
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.03950	2.6
55.01862	0.6
55.05499	0.4
57.03426	0.7
57.04696	0.2
61.02917	0.8
67.05479	0.3
69.03433	9.8
69.07059	0.5
70.86358	0.4
70.86683	0.3
71.01318	0.3
71.04988	0.7
73.02905	0.8
79.05488	0.5
81.03420	13.6
81.07063	1.5
81.48106	0.2
83.01318	0.2
83.55505	0.2
85.02907	6.0
85.06553	0.3
86.09692	0.5
87.04493	0.3
91.05470	0.4
91.76411	0.2
92.02611	0.7
93.03389	0.7
93.07027	0.6
95.04951	0.4
95.08621	1.1
96.51270	0.2
97.02302	0.3
97.02898	5.2
97.06528	0.4
99.04469	2.7
103.03960	0.5
105.07025	0.4
105.97677	0.2
107.04930	0.2
107.08567	0.8
109.02883	8.5
109.10145	0.6
111.04444	0.5
115.03929	0.3
119.08561	0.5
121.02865	0.9
121.10142	0.5
123.11703	0.8
126.03149	0.4
127.03922	9.2
133.04941	0.3
133.10103	0.4
135.04402	0.3
135.11639	0.3
136.34663	0.2
137.02377	0.4
137.13264	0.2
139.03932	1.4
145.04988	1.3
147.11713	0.2
147.52487	0.2
149.13286	0.5
151.03893	0.5
153.01831	5.7
161.13327	0.4
163.03964	0.6
165.01814	0.5
173.09639	0.2
177.05498	0.3
181.05022	0.3
187.06024	7.2
201.05455	0.6
203.03395	0.4
217.04903	0.6
218.05708	0.5
228.04147	0.9
229.04970	2.7
231.02849	0.3
245.04440	0.9
246.05206	1.3
249.05327	0.3
257.04468	2.2
265.70642	0.2
269.29099	0.2
273.03970	1.5
274.02060	0.3
274.04733	3.4
284.03046	0.5
285.03979	3.3
287.20160	0.2
295.06125	0.6
302.04224	10.3
305.24625	0.3
317.06564	100.0
318.06870	0.7
323.05658	0.4
323.25824	0.3
339.21350	0.2
425.08810	0.2
431.27414	0.3
515.15320	0.3
515.23969	0.2
521.27197	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	521.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63838	1.0
55.05511	1.8
61.29856	1.1
67.05510	2.4
69.03429	2.4
69.07072	2.4
70.06593	2.0
70.09860	5.9
79.05498	1.7
80.01415	1.5
80.04992	1.9
81.07042	4.5
83.04988	1.5
85.02898	3.4
91.05486	2.7
93.07032	4.6
94.06564	4.1
95.04970	2.1
95.08604	4.5
97.06521	2.3
98.21440	1.4
103.03957	1.6
105.07021	2.1
107.04911	1.3
107.08586	2.9
108.08105	4.9
109.02882	1.2
109.10132	2.0
110.02399	1.7
112.03979	1.6
119.08576	2.7
120.08112	2.6
121.10145	1.7
122.06025	3.5
123.11694	2.3
127.03952	2.2
132.04463	1.7
132.08017	1.5
134.05989	1.5
135.04451	1.5
136.07576	12.2
137.05913	1.2
142.05119	1.2
143.07272	2.8
144.08084	1.8
148.07555	3.4
149.13284	1.8
156.08093	4.2
157.08829	1.9
158.09633	4.4
160.03963	1.9
162.05453	1.7
164.07083	3.5
165.09056	1.8
167.07292	2.3
167.86584	1.2
168.06824	1.5
168.08130	3.8
169.07544	1.5
174.05496	1.9
178.05020	1.9
180.06821	2.1
181.07545	1.5
182.09642	1.9
183.09181	2.2
184.07500	3.5
186.09183	8.3
188.10736	1.9
190.04922	2.8
193.07677	2.8
194.08366	5.7
195.09186	7.6
196.07596	1.6
196.09984	2.0
197.10837	3.0
197.15428	1.3
198.88113	1.4
206.08351	3.1
207.09184	2.4
208.06323	4.5
208.09894	3.2
209.07071	2.1
209.10768	18.8
210.11444	1.4
211.08717	8.5
212.07222	1.6
212.09303	2.9
213.10213	4.5
216.10207	2.6
220.07591	3.4
221.07204	1.4
221.10767	1.8
222.07851	12.1
223.08705	12.3
224.09425	3.8
225.06554	1.7
225.10199	6.3
226.10968	2.4
227.08142	2.5
227.11740	2.7
232.06169	1.5
235.08745	4.2
236.09552	6.8
237.06616	2.0
237.10260	33.2
238.07263	10.3
238.11002	2.5
239.08014	7.2
239.11755	2.3
240.09024	2.4
241.09721	28.6
241.12383	1.8
241.13361	2.8
247.08656	3.0
249.10074	2.2
250.05226	1.6
250.07384	9.3
251.08192	9.4
253.09720	7.9
254.10558	2.2
255.11325	7.5
259.10925	3.0
263.08270	1.7
264.08966	10.3
265.06870	2.5
265.09738	42.4
266.10458	5.1
267.07574	2.2
268.08377	1.3
269.09344	7.3
269.12750	6.6
273.12531	1.8
275.08215	2.9
276.08905	1.5
278.07104	2.1
278.10370	1.4
279.07623	10.2
279.11038	2.3
280.08191	1.8
281.09250	2.9
282.10114	3.8
283.10794	7.6
292.08585	4.2
293.09235	70.3
294.09955	4.8
295.06281	1.3
295.10495	2.2
297.12372	19.9
301.11871	4.2
303.07584	5.8
307.07257	2.0
307.10742	5.8
309.08810	2.0
311.10251	5.6
321.08710	24.1
323.06076	1.6
323.25385	1.7
325.11877	24.2
335.10397	4.1
339.09787	3.7
343.08844	1.5
343.12787	1.7
353.07291	2.4
353.11359	34.3
357.14542	8.2
367.13266	1.8
371.12369	2.2
373.14145	2.1
381.10663	8.1
385.13983	27.3
397.10284	2.8
401.13510	6.4
413.13437	18.6
425.09845	14.8
427.15176	2.1
429.12970	17.2
439.11255	2.4
445.16135	2.4
457.12482	73.2
461.15472	4.8
471.13904	5.7
489.15057	100.0
521.16595	1.4
521.27008	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	521.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
63.15124	0.6
71.08665	1.5
76.65245	0.5
79.19537	0.5
82.25111	0.5
93.86694	0.5
95.52029	0.6
105.36278	0.6
115.05453	1.3
117.05772	0.6
117.07059	1.1
118.06545	15.7
130.06567	2.1
132.08102	5.2
142.06532	2.4
143.07327	1.9
144.08099	10.1
146.06015	55.4
159.09183	5.6
160.07603	1.3
170.06035	3.6
188.07072	100.0
189.07495	0.7
205.09734	43.1
424.48959	0.6
485.48318	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.01867	5.0
55.05512	24.0
56.81893	2.7
57.07061	6.2
63.04372	2.6
65.03919	3.9
67.01825	3.0
67.05508	32.6
67.47140	2.5
69.03423	12.4
69.07074	33.8
71.04980	4.6
71.52543	4.0
71.52948	3.5
73.01172	3.1
73.02899	4.2
79.05500	18.0
79.41045	2.7
81.03421	22.0
81.06597	6.3
81.07059	100.0
83.04975	5.2
83.08621	12.7
85.02911	14.6
85.06538	8.8
86.09710	9.5
91.05470	12.3
93.07049	45.8
95.04955	11.3
95.08617	72.1
97.02905	8.3
97.06527	10.8
97.10172	22.4
99.04438	7.7
100.01973	2.8
103.04019	4.1
105.07043	19.7
107.04957	5.3
107.08601	40.9
108.43652	2.8
109.02904	20.8
109.06507	5.1
109.10165	30.9
111.04436	5.4
111.08063	11.6
111.11736	6.1
117.06964	4.3
119.08578	17.6
120.08091	6.3
121.06522	5.8
121.10150	32.7
123.04392	4.6
123.08034	3.6
123.11713	52.2
125.09615	5.6
127.03891	18.9
131.08565	7.8
133.10136	15.2
135.11722	16.8
137.09677	4.0
137.13272	13.6
139.03911	3.5
139.11154	12.7
141.12752	5.8
143.08580	5.3
145.10106	12.3
145.66841	3.0
147.04404	8.5
147.11702	16.3
147.12666	2.6
149.09607	3.8
149.13257	31.1
151.11116	5.7
153.01837	39.6
153.12717	6.1
157.10147	4.2
157.12207	6.0
159.11684	8.3
161.09583	4.6
161.13258	7.6
163.14825	7.8
167.14308	3.6
169.10037	4.2
169.12280	3.3
171.02895	8.7
173.13268	7.0
175.11191	3.6
175.14774	3.8
177.12807	3.2
177.16313	3.2
184.07309	3.8
187.13286	9.2
187.14792	3.4
197.11662	5.3
213.16425	4.7
219.13785	5.4
247.16931	3.3
273.07550	43.2
275.23715	5.1
277.25006	4.0
287.23627	4.7
293.24692	5.1
303.23141	2.6
305.24792	29.6
313.16504	10.6
323.25830	7.2
331.17172	3.3
395.25912	3.7
401.26791	7.0
413.26694	7.7
419.27917	6.6
431.28033	18.8
437.29047	7.0
449.29172	16.9
455.29779	6.8
461.49359	3.2
467.30118	19.4
485.30545	7.1
521.27148	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	521.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05313	1.8
55.05517	20.7
57.03435	4.3
57.07078	7.1
59.05006	2.9
67.05508	30.4
69.03427	7.3
69.07072	40.3
71.04999	6.4
71.08634	3.4
71.52650	2.5
79.05498	15.1
81.03413	5.4
81.07057	100.0
83.04971	2.1
83.08623	12.3
85.02901	8.9
85.06091	1.9
85.06527	11.2
86.09714	4.6
91.05472	10.7
93.07044	42.7
95.04984	5.7
95.08607	81.9
97.02912	5.2
97.06528	10.8
97.10163	24.6
99.04450	2.7
99.08100	4.7
105.07014	18.3
106.72041	1.9
107.08598	47.3
109.06503	4.0
109.10148	33.3
111.08070	17.0
111.11726	10.2
112.17704	1.9
119.08594	12.7
121.10143	30.4
123.08096	4.6
123.11704	67.9
125.09639	4.6
127.03912	5.9
131.08556	5.6
133.10152	9.0
135.11678	18.3
137.09665	3.3
137.13260	26.5
139.11185	22.2
141.12727	5.3
143.08546	3.6
143.10663	2.2
145.10159	3.0
147.11719	11.2
149.09613	3.2
149.13258	42.9
151.11166	3.5
151.14833	2.6
153.12764	7.1
155.14311	4.8
157.12218	24.9
159.11714	4.2
161.13284	5.3
163.03937	2.9
163.14833	8.5
165.09090	3.2
165.12799	4.1
167.14294	2.2
169.12292	6.8
171.11652	2.5
171.13852	3.4
173.13214	3.3
175.14844	3.0
177.16417	3.1
184.07298	9.4
187.13327	21.4
187.14835	3.8
189.16437	2.8
194.12715	2.0
199.38019	1.9
203.12794	9.7
203.17937	2.4
211.13283	5.6
212.13631	4.2
235.16896	3.7
235.20647	2.8
237.18544	2.6
249.18614	3.0
253.21628	3.0
275.23679	2.2
277.25214	3.2
287.23642	3.1
293.24704	16.9
295.06100	2.7
305.24738	77.3
306.02112	2.1
309.40656	1.8
311.25723	7.4
323.25806	43.6
329.26840	3.6
341.26804	4.0
359.27936	8.1
435.39423	1.9
521.26764	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	521.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.5
55.01876	4.0
55.05510	17.7
57.03422	1.9
57.07076	29.2
65.03945	1.3
67.05505	23.5
69.03442	1.3
69.07066	12.4
69.26978	5.2
69.27387	1.7
71.04986	2.6
71.08633	21.6
79.05495	22.5
81.03422	4.4
81.07056	26.8
83.01341	2.3
83.04984	5.5
83.08150	1.3
83.08621	15.5
85.02899	1.6
85.06503	0.8
85.10185	10.9
86.09715	2.6
91.05473	12.0
93.07045	27.9
95.04964	6.0
95.08607	40.2
97.02907	3.1
97.06514	4.6
97.10182	6.1
99.04461	2.4
105.07025	8.2
107.04951	7.9
107.08593	16.6
109.06516	3.1
109.10160	8.7
109.24248	0.8
111.04465	1.9
111.11716	1.1
117.07024	7.5
119.08581	6.2
121.06516	3.8
121.10147	7.8
123.08064	2.5
123.11725	3.3
124.99992	1.8
125.06020	1.1
129.07051	1.8
130.07811	1.8
131.08607	1.8
133.10127	2.1
135.08055	1.3
135.11694	29.2
137.13261	1.4
139.07660	1.0
143.08670	0.9
145.10115	19.3
153.12737	1.0
157.10190	1.0
161.13298	0.8
163.11185	34.5
173.09677	1.8
181.12241	8.7
184.07343	5.7
185.07651	2.0
191.10675	1.4
193.12257	1.4
209.11665	4.7
211.13455	1.1
221.22670	1.1
227.12782	65.5
239.23663	5.7
265.14352	1.5
313.27454	1.4
418.90811	0.8
521.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.2
55.01866	2.8
55.05512	13.8
57.03434	2.7
57.07078	29.6
65.03923	1.4
67.05181	1.6
67.05508	23.5
69.03441	1.1
69.07073	13.2
69.20419	3.3
69.20838	5.3
71.04993	2.4
71.08633	18.4
73.02885	1.1
73.13819	0.9
73.97708	1.0
75.57042	1.1
79.05494	22.8
81.03425	6.7
81.07059	30.8
83.04978	3.1
83.08617	15.6
85.10190	8.1
86.09711	1.3
91.05487	8.8
92.84960	1.0
93.07048	32.7
93.07646	1.8
95.04969	6.6
95.08609	44.2
97.02888	3.8
97.06527	2.6
97.10178	4.9
99.04461	2.2
99.08047	1.0
105.07046	7.2
107.04946	7.5
107.08595	24.3
109.06506	2.8
109.10165	8.5
111.04425	1.6
111.11749	1.3
114.46416	0.9
117.07036	9.6
117.24479	0.9
119.08578	7.8
121.06487	6.0
121.10146	10.9
123.11713	2.2
125.00023	1.0
125.05963	1.4
129.07060	1.2
130.07832	1.3
133.10155	2.2
135.08038	1.6
135.11699	38.6
135.12730	2.4
139.07559	2.6
143.08611	1.0
145.10132	24.0
152.03348	0.9
152.50960	1.0
163.11186	45.2
163.12556	2.4
181.12228	10.0
184.07341	4.2
193.12270	4.1
209.11775	3.1
211.13235	1.6
227.12782	100.0
230.60271	1.2
239.23804	3.2
267.15945	7.3
311.25784	4.0
397.57111	1.1
503.37231	3.4
521.25684	2.8
521.38391	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
55.01875	1.3
55.05506	1.9
57.03439	1.5
61.02916	1.1
65.83170	0.8
67.05496	2.4
69.03422	5.0
69.07075	1.0
69.21041	4.5
69.21471	3.2
71.04982	0.9
73.02911	1.5
79.05484	3.3
81.03434	6.2
81.03840	1.2
81.07053	1.7
83.04990	1.5
85.02906	11.6
87.00832	4.3
91.05490	9.9
93.07022	5.6
95.04990	2.0
95.08601	1.8
97.02890	5.3
98.04266	0.8
98.20799	1.5
99.04453	2.7
103.05490	1.1
103.32735	0.8
103.99579	0.8
105.01855	7.8
105.07029	72.4
107.07983	0.8
107.08571	5.5
109.02896	4.4
109.06467	1.2
115.03944	0.8
115.05489	2.0
116.06262	0.9
117.07033	10.9
119.08582	16.2
121.06484	2.4
121.10114	3.7
123.08056	1.3
127.03903	9.7
129.06996	6.0
130.07777	2.1
131.07610	1.3
131.08575	26.7
131.65852	0.8
133.06490	7.2
133.10138	13.4
135.08035	3.7
135.11697	0.9
141.06995	2.8
142.07776	24.1
143.08525	1.4
144.09341	6.8
145.04916	5.4
145.10118	15.7
147.08011	1.3
147.11688	32.9
149.05971	1.4
149.09628	4.8
149.13219	2.1
151.07494	1.9
157.10127	100.0
159.02890	1.4
159.11691	58.7
161.09610	1.7
161.13248	20.9
163.03900	1.5
163.11194	11.0
165.12692	1.6
173.09575	1.0
175.11185	19.4
177.09096	7.3
177.12758	10.3
179.07037	3.1
185.09633	1.7
191.10674	9.0
193.12227	5.4
195.10149	2.6
195.13763	1.2
197.08116	3.5
203.10670	17.4
205.12233	8.5
209.11766	5.7
211.13368	0.8
221.09641	1.8
221.11714	22.3
231.04996	4.6
239.12787	10.5
245.60316	1.0
249.06136	2.2
267.16107	1.6
285.16864	2.9
477.61862	0.9
506.32642	0.9
542.48834	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46894	1.5
51.70644	1.3
53.03934	4.0
55.01870	4.5
55.05521	9.1
57.03439	4.1
61.02911	2.6
61.81657	1.2
65.03929	1.7
67.05523	7.8
69.03437	22.2
69.07065	3.9
70.06583	1.8
70.47181	2.9
70.57819	1.4
71.05000	21.7
72.08159	1.6
73.02909	3.4
79.05483	5.2
81.03416	15.7
81.07060	8.1
83.04984	7.4
85.02910	38.3
86.59032	1.4
87.00836	18.3
88.93804	1.5
91.05477	14.1
93.07049	14.0
95.04976	8.1
95.08067	2.2
95.08612	22.4
97.02893	22.6
97.06525	2.9
99.04449	7.7
105.01868	26.8
105.07034	26.5
107.07874	3.0
107.08598	46.3
109.02882	20.2
109.06503	11.4
109.10171	7.7
111.08088	3.2
116.59019	1.3
117.07049	8.6
119.08585	34.7
121.06518	13.5
121.10146	11.2
123.08063	18.1
123.11681	2.4
125.09657	1.8
127.03922	40.9
129.07011	5.7
130.07747	1.9
131.08574	20.2
133.10136	21.2
135.08049	24.8
135.11682	3.0
137.05966	3.2
137.09619	6.9
138.97644	1.3
139.07553	1.6
142.07797	3.6
144.09341	16.5
145.04979	12.5
147.11670	8.5
149.09584	5.8
149.13240	2.6
151.07602	2.5
151.11185	18.6
153.05449	2.1
153.12729	3.4
157.10129	13.0
159.02893	7.9
159.11702	100.0
161.09625	5.7
163.07550	3.4
165.05431	2.5
165.12611	1.5
169.08612	2.8
170.09583	2.3
175.11166	22.7
177.09109	6.0
177.12749	23.7
179.10681	5.1
181.08598	1.8
193.12280	13.1
195.10165	13.3
195.13829	9.8
203.10658	7.1
210.82545	1.4
213.03940	4.6
216.02539	1.5
221.11740	47.0
231.05019	12.9
239.12798	60.1
249.06041	4.6
277.08340	1.6
285.16946	2.6
321.22818	1.5
339.06961	1.4
386.80319	1.4
413.31625	1.8
428.86261	1.5
464.04169	1.8
499.12186	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45866	0.3
53.03949	0.5
53.24574	0.4
55.01849	0.6
55.05279	0.6
55.05518	9.4
56.44587	0.3
57.03442	5.2
57.07064	1.1
60.04528	0.6
64.08848	0.4
64.43861	0.4
65.03968	0.7
67.05511	21.9
69.07072	14.0
69.77492	1.2
69.77900	0.8
70.02924	0.4
71.08621	0.7
74.45834	0.4
77.16483	0.4
79.05062	0.7
79.05491	6.3
81.07063	22.3
83.04988	0.8
83.08630	6.6
88.03992	5.1
91.05486	4.2
93.07047	6.0
95.04977	0.4
95.08614	15.8
97.06515	1.6
97.10175	2.5
98.20764	0.7
98.98483	4.3
103.47989	0.4
105.07040	2.0
106.05031	1.5
107.08589	3.0
109.09472	0.6
109.10155	6.2
111.08073	0.6
111.11694	0.4
119.08537	1.8
121.10160	2.7
123.11722	1.9
133.02977	0.4
133.10139	2.5
135.11696	1.3
137.13240	0.8
147.11668	1.8
149.13283	0.8
151.14828	0.5
155.00999	0.6
161.13272	1.1
163.14857	0.6
173.02187	1.2
175.14771	0.5
242.04211	0.5
245.22684	0.6
257.01306	0.4
260.05212	0.6
263.23624	1.9
337.27377	100.0
338.27609	1.1
350.26877	2.4
350.30542	0.4
381.12610	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29283	0.7
50.89220	0.7
53.03938	1.3
55.05273	1.2
55.05518	13.5
57.03440	5.4
57.07068	2.6
60.04527	16.2
60.08165	9.4
61.08508	1.0
67.05509	35.9
69.06738	0.9
69.07077	16.2
70.02965	5.7
71.04998	0.9
71.07371	2.9
71.08608	1.1
71.52411	0.6
71.52779	1.0
71.83498	0.7
79.05498	10.8
80.28634	0.8
81.07061	38.7
83.04950	1.7
83.08625	8.7
85.06570	1.4
86.09709	24.6
87.10040	7.2
88.03997	77.4
91.05499	6.5
93.07045	11.9
94.26185	0.8
95.05006	1.2
95.08612	28.2
96.08958	0.9
97.06538	3.4
97.10176	4.1
98.98473	43.7
99.08080	1.1
102.51009	0.8
104.10753	41.2
105.07040	4.2
105.10417	1.2
105.11082	13.2
106.05038	39.0
106.11274	1.0
107.08596	8.2
109.10159	11.2
111.08094	1.3
116.99554	1.1
119.08553	3.8
121.10156	6.2
122.00028	0.9
123.11725	5.6
125.00008	13.8
126.00342	1.5
127.00452	3.0
131.08577	0.9
133.10127	4.2
135.11703	3.4
136.93120	1.8
137.13268	2.8
141.12782	1.0
145.10167	1.1
147.11694	3.0
149.13254	2.7
151.14897	2.1
154.94188	2.2
155.01042	23.6
161.13260	2.1
163.14868	2.2
165.16458	1.1
172.95284	1.5
173.02103	8.1
175.14867	1.9
184.07346	40.2
185.07724	15.5
186.07797	13.2
228.97754	0.9
242.04378	2.7
245.22705	8.1
260.05334	3.0
263.21225	0.5
263.23718	21.5
337.27383	100.0
350.27005	8.9
417.23965	2.8
504.26877	2.1
504.33627	5.3
522.21991	2.0
522.34607	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	522.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83258	0.1
55.05511	0.3
56.05033	0.6
57.03451	0.3
57.07086	0.2
58.06628	0.4
60.08165	6.2
60.61659	0.1
64.26452	0.1
65.74496	0.1
66.38306	0.1
67.05502	0.3
69.07061	0.5
69.38510	0.9
70.06590	0.2
71.07372	2.8
81.07060	0.3
83.08631	0.3
86.09706	29.9
93.07072	0.2
95.08636	0.2
98.98463	3.1
104.10745	2.7
125.00005	21.4
149.77625	0.2
166.06317	0.2
184.07339	100.0
185.07649	0.2
219.80763	0.2
298.97168	0.2
339.28912	0.2
408.31738	0.2
504.34494	1.4
522.35645	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	522.3557
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05513	1.9
56.05030	1.2
57.07079	0.3
58.06604	1.2
60.08166	16.8
67.05499	1.6
67.22482	0.3
69.07070	2.0
69.54571	1.9
71.07378	5.9
79.05492	0.6
81.07055	0.9
83.08624	1.1
86.09707	50.0
93.07062	0.6
95.08609	1.4
97.10161	0.7
98.21555	0.6
98.98466	3.5
103.16901	0.3
104.10745	100.0
107.08588	0.3
109.10170	0.4
121.10142	0.4
125.00008	26.8
132.60893	0.3
135.11765	0.4
163.01569	0.7
169.14496	0.3
172.62143	0.3
184.07344	98.5
207.14737	0.3
219.93497	0.3
231.49599	0.3
258.11075	0.8
268.38342	0.3
339.29135	1.7
386.81787	0.3
445.27661	0.3
504.34479	8.6
522.35565	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10200	5.6
55.05508	11.3
57.03436	5.9
65.72930	5.0
65.99304	5.1
67.05495	26.2
69.07060	10.8
70.91470	14.2
71.08628	21.4
77.29130	5.7
79.05489	24.6
81.07050	23.0
81.07471	5.2
83.05003	5.6
83.08632	9.7
84.02870	5.2
91.05489	12.3
93.07050	23.0
95.08598	19.1
95.85345	5.6
97.06510	11.0
99.08093	16.2
102.93716	5.8
105.07053	10.9
107.04910	6.5
107.08596	14.2
109.10181	12.0
119.08599	18.4
121.10149	8.1
123.06443	5.2
133.10069	7.4
135.11694	12.3
151.11183	8.5
152.29732	5.3
159.11545	7.7
161.13205	10.1
163.03967	6.4
179.14287	36.0
277.21729	25.4
333.64780	5.1
351.25293	100.0
362.15671	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	523.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.01864	2.7
55.05516	11.2
55.21105	1.7
57.03445	19.6
57.07079	41.3
67.05509	28.5
68.48759	2.0
69.03398	2.8
69.07052	8.3
69.37872	14.2
70.88153	2.0
71.04966	2.3
71.08636	28.3
79.05500	14.2
81.03422	87.7
81.07061	26.5
83.04973	4.7
83.08614	27.0
85.02922	2.0
85.10184	15.4
86.09685	2.9
89.06037	1.9
91.05480	17.8
93.07052	12.1
95.04963	21.8
95.08612	25.2
97.02903	2.1
97.06493	3.2
97.10175	4.3
104.10738	5.1
105.07026	11.7
107.04942	6.1
107.08597	4.2
109.06525	4.0
109.10168	11.0
111.08052	5.6
119.08575	13.6
121.06535	3.6
121.10123	5.1
123.11732	3.4
129.07047	8.7
131.08588	8.5
133.06487	2.1
133.10135	5.2
135.11661	2.5
137.09599	2.8
137.13232	2.6
145.10040	2.0
147.08000	3.3
147.11652	9.5
149.09598	4.9
149.37421	1.7
157.10104	9.9
175.11179	9.9
179.14273	3.2
184.07326	6.5
193.12231	39.7
211.13362	8.3
229.14267	3.9
239.23624	5.1
249.14899	4.6
257.24655	2.1
267.15927	85.6
277.21671	2.5
298.91531	1.5
313.27368	100.0
318.29932	1.6
505.39053	62.0
523.25610	9.0
523.40210	16.8
524.36731	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83002	1.3
53.03937	4.1
55.01870	2.0
55.05510	12.1
56.91642	1.4
57.03437	20.1
57.06794	2.3
57.07078	46.5
65.03913	1.2
65.60880	1.2
67.05178	2.1
67.05508	23.2
69.03415	2.6
69.07073	12.5
71.04997	2.7
71.08635	33.2
79.05498	14.8
81.03421	94.2
81.07056	28.0
83.04969	5.9
83.08622	26.4
85.02898	3.4
85.06526	1.5
85.10187	16.5
89.06023	3.4
91.05484	18.8
93.07043	9.2
95.04977	23.3
95.08614	25.1
95.91682	1.3
97.02882	3.7
97.06527	2.1
97.10206	6.1
101.70817	1.3
105.07043	14.9
107.04935	5.5
107.08584	3.5
108.10812	1.3
109.06528	4.4
109.10159	12.5
111.04430	2.5
111.08091	6.9
111.11714	2.1
115.05526	1.5
117.07000	2.0
119.08591	13.4
121.06489	2.3
121.10182	5.0
123.11729	2.8
125.09699	1.4
125.13371	1.5
129.07031	10.5
131.08546	6.5
133.06506	2.5
133.10115	4.7
135.68665	1.4
137.09610	1.8
137.13264	1.4
139.03232	1.2
142.07776	2.4
145.10144	1.9
147.08037	3.6
147.11705	8.3
149.09618	4.5
157.10118	8.4
165.12801	1.7
175.11240	8.7
177.03354	1.2
193.12247	42.9
211.13284	12.8
239.23718	5.9
249.14885	5.0
267.15927	99.5
298.38147	1.5
313.27365	100.0
374.07071	1.3
504.59976	1.3
505.38913	59.8
523.39941	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	523.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
53.66042	1.0
53.92349	1.0
55.05515	13.3
57.03446	9.8
57.07082	39.4
59.05004	1.2
62.59306	0.9
67.05508	30.1
68.05835	0.9
69.03435	1.7
69.07075	12.1
70.94382	0.9
71.05002	2.5
71.08638	29.5
72.13847	1.0
74.09749	1.6
75.16466	1.3
79.05499	18.0
81.03423	39.5
81.07060	32.0
83.04974	7.2
83.08624	22.6
85.02914	15.2
85.06548	2.2
85.10197	14.9
86.09709	2.9
91.05491	22.3
92.02372	0.9
93.07059	14.6
95.04974	15.2
95.08612	31.7
97.06524	2.0
97.10191	7.0
99.08108	1.6
105.07038	15.6
107.04992	3.3
107.08597	5.9
109.06535	2.2
109.10168	11.5
111.04443	3.3
111.08077	6.0
111.11703	1.1
113.05988	1.8
115.05446	2.1
117.07050	1.1
119.08585	16.0
121.10152	12.8
123.08077	2.2
123.11715	5.0
125.00013	1.1
129.07016	10.0
131.08568	10.4
133.06462	1.6
133.10143	8.7
137.13277	2.0
142.07809	3.9
145.10223	1.2
147.08069	3.2
147.11694	16.2
149.09627	12.4
157.10164	11.9
165.12784	1.7
175.11191	14.8
184.07343	9.5
193.12257	34.8
211.13298	31.7
229.14345	1.1
239.23793	6.2
249.14987	1.7
257.24728	1.2
267.15939	34.4
272.58530	1.3
285.16858	1.4
313.27399	39.3
503.93552	1.1
505.39087	15.7
523.40009	100.0
524.39832	1.2
543.14832	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.4
52.54410	0.5
53.03945	0.8
55.01884	0.5
55.73289	0.4
57.03446	0.6
65.03956	2.1
65.19115	0.5
67.05498	2.3
69.03437	2.4
70.06590	0.7
70.45441	1.0
70.45811	0.8
71.01353	0.4
79.05485	0.9
81.03423	6.3
81.07033	1.2
85.02900	3.3
86.09711	0.5
91.05479	1.1
92.80645	0.5
93.03398	2.4
93.07037	1.5
95.04991	1.1
95.08633	1.0
97.02903	3.7
97.06510	1.3
99.04467	1.6
103.03964	0.7
105.07041	0.7
107.08602	1.8
108.02101	0.8
109.02892	3.0
109.10209	0.6
109.38146	0.4
111.04457	3.2
112.13969	0.5
119.08545	1.0
120.08111	0.4
121.06483	0.5
121.10157	1.0
123.04430	0.7
123.08030	0.8
125.06000	3.7
127.03942	3.2
132.08896	0.5
133.10138	0.9
136.01508	0.4
136.07574	0.7
138.09174	0.5
141.05472	1.1
145.02922	0.7
145.04973	1.2
146.10461	0.4
147.08096	0.5
151.03915	100.0
151.04965	4.7
152.04263	0.6
159.11742	0.6
161.09729	0.5
161.91209	0.4
165.05618	0.7
165.09196	0.7
166.08646	0.8
169.04984	14.4
173.13306	0.6
175.11192	0.9
177.05408	0.7
178.13168	0.5
183.11548	0.5
200.11583	0.6
226.16908	0.6
243.17239	0.4
265.09763	0.6
284.20874	1.2
290.22131	0.6
291.19391	0.5
293.09183	0.5
295.08179	7.8
295.11212	0.5
301.21634	1.1
302.21945	2.4
313.09192	9.3
319.22665	1.7
320.22977	2.7
328.84167	0.5
337.23688	0.7
338.24152	1.7
359.12317	0.5
446.17120	0.6
506.27820	2.7
524.21082	0.9
524.28448	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	524.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.8
57.03431	3.0
60.58811	1.6
61.02926	2.8
65.03939	2.0
69.03429	10.5
69.78998	2.6
69.79288	9.9
70.06607	3.2
71.04981	3.7
72.08141	2.3
73.02923	3.3
79.05507	13.4
81.03424	16.4
81.07077	2.5
83.04955	1.9
85.02911	68.0
86.09710	2.9
91.05485	2.4
95.04969	2.6
97.02900	21.7
99.03845	3.0
99.04462	39.5
103.03946	88.5
105.07030	2.4
107.08575	1.9
109.02874	16.4
119.08595	2.0
120.08115	2.0
121.02956	1.8
123.04429	7.7
125.05955	2.8
125.94864	1.6
127.03923	100.0
135.04483	2.0
137.05948	3.1
145.04970	56.2
147.04401	1.7
151.03851	3.1
159.11597	2.2
163.03918	6.1
163.06021	59.0
163.99413	1.7
164.04210	2.5
169.05011	12.9
174.62990	1.8
177.12737	2.6
183.06560	10.9
187.06033	4.2
201.05707	3.0
201.07542	22.7
205.07018	5.0
216.08690	1.8
223.13380	3.2
253.07037	2.4
271.08221	8.8
278.11697	1.7
289.09207	10.8
307.10278	16.3
325.68915	1.9
392.19467	2.6
452.80020	1.9
525.14709	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	524.284
Annotation	Deoxynojirimycin Tetrabenzyl Ether
Peak:m/z	Relative Intensity
67.05502	2.0
69.03445	1.0
69.07059	1.2
70.06592	1.4
70.57860	0.7
71.04977	0.8
72.08145	0.6
73.78468	0.7
77.21711	0.6
79.05470	1.2
81.03429	1.2
81.07049	2.3
83.04965	0.8
83.08661	0.7
84.04505	0.9
85.02895	1.6
86.09713	0.7
86.78014	0.7
91.05496	1.0
91.73329	0.6
93.07056	1.0
95.08633	1.1
97.06550	1.1
97.31426	0.6
99.04462	1.3
100.91096	0.7
103.03941	1.9
105.07034	1.6
107.08543	1.0
109.06549	1.1
109.10121	0.7
109.14565	0.7
114.78806	0.8
121.10142	1.1
122.06034	0.8
127.03938	2.1
127.84706	0.8
136.07600	1.0
145.05037	1.6
149.09549	0.9
152.03235	1.0
160.11215	1.8
163.03958	0.9
163.05959	1.2
164.07109	0.9
170.04289	1.1
178.12315	1.6
258.08987	1.1
327.13629	0.8
327.17407	0.7
346.23734	0.8
347.22174	1.0
365.22928	1.3
376.24588	2.9
377.23022	6.6
392.18115	0.7
395.24057	11.5
440.65948	0.7
470.97375	0.7
485.50241	0.8
494.27173	1.3
506.19449	0.9
506.26819	2.7
524.28351	100.0
525.29181	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3715
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05518	0.5
56.05034	1.2
57.03417	0.5
57.07080	3.0
58.06575	1.5
59.07399	0.7
60.08166	18.1
67.05502	0.7
69.07056	0.5
69.74770	0.2
71.07376	6.4
71.08631	2.2
81.03408	0.5
81.07048	1.1
83.08620	0.5
84.47537	0.3
85.10180	1.0
86.09709	49.9
95.08615	1.2
97.10171	0.4
98.21464	0.5
98.98469	3.8
104.10748	100.0
105.10995	0.3
109.10174	0.7
123.11665	0.3
125.00009	26.6
159.49168	0.3
163.01534	0.7
166.06329	0.4
184.07347	94.5
258.11069	1.2
278.48825	0.2
314.27783	0.3
341.30579	1.6
447.28680	0.3
506.28525	0.4
506.36050	9.4
524.37128	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	524.3716
Annotation	PAF C-16
Peak:m/z	Relative Intensity
55.05508	0.2
56.05035	0.5
56.77554	0.1
57.03437	0.2
57.07079	0.5
58.06643	0.6
59.07394	0.2
59.55425	0.1
60.08166	6.5
64.61686	0.1
66.33736	0.1
67.05510	0.3
69.07079	0.2
69.88955	0.1
70.06586	0.1
71.07372	3.0
71.08626	0.4
79.05505	0.2
81.03442	0.1
81.07068	0.3
83.08625	0.2
85.10182	0.4
86.09708	29.9
89.06012	0.2
93.54903	0.1
95.08633	0.4
98.21528	0.3
98.98468	2.7
104.10750	3.0
109.10184	0.2
125.00007	20.8
143.00999	0.1
145.52892	0.1
160.76944	0.1
184.07344	100.0
185.07741	0.2
239.33298	0.1
258.10977	0.2
264.38852	0.1
267.15970	0.1
313.27606	0.2
314.27560	0.2
506.35974	1.3
510.67947	0.2
524.29388	0.2
524.37067	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	524.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52621	1.1
53.03949	1.7
55.05514	12.3
57.03437	11.9
57.07070	2.7
59.04999	3.8
65.03936	2.5
67.05508	100.0
69.07076	7.6
69.95599	4.9
71.04985	3.5
71.08633	0.9
79.05496	20.7
81.03412	2.7
81.07061	34.6
83.04995	1.3
83.08619	9.2
85.06547	2.1
91.05489	13.9
93.06476	1.9
93.07043	24.4
95.04989	1.8
95.08611	26.1
97.06509	1.7
97.10166	2.5
105.07045	7.9
107.08591	14.5
109.10160	75.3
111.08077	3.1
117.07030	3.0
119.08584	9.4
121.10152	10.2
123.11682	2.9
126.24906	1.1
131.08551	4.2
133.10132	3.9
135.11703	5.9
137.09616	3.2
137.13231	1.3
139.14111	1.0
145.10092	2.6
147.11656	2.4
149.13240	2.9
155.10664	9.4
159.11705	3.1
161.13242	2.4
163.14870	1.6
173.11771	17.8
173.13216	2.2
177.16354	1.2
178.30490	1.1
227.12813	2.4
229.14365	80.9
242.72064	1.0
243.21085	3.3
261.22137	10.0
317.24667	3.2
335.25818	63.5
477.87073	1.3
489.35776	50.1
506.38998	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	525.0139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.76353	3.3
98.97604	4.1
116.30335	0.6
116.98573	1.3
122.38107	0.6
146.38524	0.6
153.83951	0.6
207.32608	0.6
216.98952	3.1
222.97815	0.7
234.99965	6.0
240.98921	8.0
253.01125	0.8
259.00006	31.8
259.99960	1.3
261.02948	0.8
264.98697	1.1
268.27585	0.7
274.97928	3.5
277.01053	19.0
279.00800	0.7
283.00006	38.7
284.00101	2.5
284.99896	1.1
292.99100	1.2
298.97952	3.6
301.01059	29.9
302.01071	0.9
303.01083	1.2
304.00748	0.8
309.16333	0.7
314.95905	0.7
316.99109	6.8
319.02063	1.1
322.98077	1.1
324.02527	0.9
340.99060	2.4
356.97070	1.2
359.00116	18.3
364.98767	4.7
383.00079	28.3
401.01172	94.2
402.01440	3.2
403.01633	0.7
419.02103	1.4
424.02954	3.1
425.01590	1.8
429.99002	0.7
443.02512	3.4
458.96936	1.1
483.00537	1.9
500.98083	1.3
507.00137	9.9
525.01324	100.0
526.01361	3.3
542.99115	1.8
548.02887	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.5
53.71782	0.7
55.01865	2.2
55.05513	7.0
57.03427	1.6
57.07066	1.2
57.38646	0.7
65.03938	1.6
65.08498	0.7
67.05505	11.1
68.99785	0.9
69.03427	7.7
69.07074	6.7
69.94536	4.0
71.04984	3.0
79.05495	12.6
79.43582	0.7
81.03413	8.5
81.07056	17.8
83.04987	10.2
83.08631	4.5
84.83171	0.8
85.02448	0.8
85.02916	9.3
85.06570	4.5
87.00832	3.6
91.05484	10.2
93.07045	18.0
95.04959	2.5
95.08617	14.5
97.02873	2.7
97.06528	3.7
97.10181	1.8
100.11246	0.8
105.01884	1.2
105.07034	16.2
107.04949	3.5
107.08599	15.0
107.75972	0.8
109.02876	2.6
109.06509	3.9
109.10157	14.4
111.08069	2.9
113.09634	5.0
117.06998	2.6
119.04950	4.0
119.08579	19.6
119.09374	1.5
119.96390	0.7
121.06496	3.5
121.10144	21.8
122.07269	2.2
123.08071	2.6
123.11709	7.4
125.05950	1.3
125.09653	4.0
127.03923	5.1
129.06970	1.1
131.08574	4.3
133.06490	2.4
133.10127	38.0
135.08032	2.8
135.11691	6.4
137.06006	1.3
137.09622	23.2
139.11186	3.4
142.07768	1.4
143.08517	1.7
145.04945	1.9
145.10168	4.2
147.04410	6.2
147.08057	3.8
147.11679	7.4
149.09654	4.6
149.13271	3.2
151.11191	11.6
153.12773	0.8
157.10118	3.2
159.02936	1.2
159.11717	2.6
161.09587	4.9
161.13258	4.5
163.11203	2.1
165.12807	2.3
171.11703	2.3
175.11221	4.2
175.14833	19.9
177.12706	1.0
177.16368	0.9
179.07062	1.1
181.04951	1.2
185.13286	3.0
187.14825	0.9
189.12749	3.5
191.14307	2.1
193.12267	1.6
193.15834	1.8
199.14847	1.3
201.16417	2.8
203.14281	6.0
207.06482	1.8
209.11649	1.0
211.13277	1.2
217.15936	3.0
217.19585	1.6
231.04987	1.0
241.19484	2.5
259.20590	28.1
277.21628	100.0
289.21506	1.2
333.13281	1.3
343.29092	0.9
367.22742	2.2
423.94449	0.9
445.25836	1.6
489.24484	1.5
507.29572	1.0
525.29596	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	526.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	12.9
57.03437	6.7
62.02264	2.7
67.05502	18.8
69.07058	13.2
71.54138	5.4
79.05490	7.5
81.07059	21.9
83.08598	7.2
87.53104	3.1
91.05466	11.5
93.07024	8.1
94.98298	2.9
95.08615	15.2
105.07033	6.4
107.08569	4.5
108.30278	3.2
109.10120	7.2
133.10162	4.0
286.59613	3.7
327.57590	3.3
337.27368	100.0
526.36292	15.5
532.58551	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	526.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	2.4
55.05512	13.8
57.03451	10.5
57.07068	5.4
59.04995	3.3
67.05509	100.0
69.07088	13.5
71.08631	5.3
71.52624	2.1
79.05494	10.8
81.07065	37.4
82.58588	2.0
83.08631	15.4
85.06547	3.0
89.06038	39.6
91.05485	10.7
93.07035	10.0
95.08616	25.7
97.10162	4.5
97.65654	1.7
105.07046	4.3
107.08592	7.4
109.10165	73.6
111.08114	5.7
116.90506	1.9
119.08595	7.2
121.10145	4.2
123.11779	2.9
133.08612	21.2
133.10170	3.5
135.11671	4.1
147.11717	2.2
147.40456	1.8
155.10684	5.4
163.14810	2.5
173.11751	16.5
177.11238	8.6
193.33015	2.0
229.14369	67.7
229.16618	4.5
263.23761	4.5
283.17419	2.3
312.94073	1.7
327.20099	21.9
337.27396	58.7
491.37347	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74778	0.9
54.23406	1.0
55.05505	2.6
57.07082	64.2
67.05509	1.4
68.68772	1.0
69.07079	7.6
69.49883	2.9
69.50307	3.9
71.08636	52.7
73.06545	4.4
83.08618	3.6
85.10189	35.4
87.04460	4.5
89.06039	100.0
91.05505	1.3
93.07026	1.3
95.08577	1.5
97.10180	2.6
99.11730	8.8
105.07031	1.5
107.07040	1.9
111.11721	4.6
113.13293	4.4
117.09138	4.1
119.08553	1.1
121.10066	1.0
125.13264	3.6
127.14825	4.0
130.08621	3.0
131.07022	1.4
133.08617	70.6
135.10240	1.3
161.11668	1.7
177.11243	31.6
183.21082	1.9
184.07310	2.6
195.12257	1.6
212.42236	1.1
221.13866	7.9
227.23764	1.3
239.14848	4.7
256.26434	1.4
259.96909	1.0
265.16592	1.3
271.26334	4.1
283.17465	6.5
309.19012	1.5
315.28958	8.0
327.20181	28.7
421.35083	2.4
465.37912	2.1
509.40561	37.7
526.25970	2.0
526.35968	4.5
526.42432	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	3.4
55.01869	4.3
55.05519	20.4
57.03438	5.7
61.02927	12.4
67.05506	26.5
69.03420	5.8
69.07091	7.4
71.04977	3.8
71.44224	1.2
73.02916	5.1
79.05074	2.0
79.05499	25.3
81.03405	5.7
81.07063	29.0
83.04984	5.4
83.08625	7.8
85.02923	11.7
85.06541	2.6
91.03953	6.7
91.05482	34.5
93.07048	26.3
95.04966	5.0
95.08617	14.9
97.02887	8.9
97.06557	7.1
97.10169	5.3
99.04524	1.6
103.03991	1.3
103.05453	2.0
105.07040	33.3
107.04962	4.9
107.08606	13.0
109.02866	2.2
109.06540	8.2
109.10172	8.8
111.04446	2.9
111.08092	3.1
115.03905	1.4
115.05459	3.9
116.06211	1.4
117.07030	19.7
119.08586	21.9
121.06506	5.5
121.10149	8.6
121.10928	1.4
123.04479	1.3
123.08064	5.4
125.09610	3.4
127.03943	3.6
128.06235	10.5
129.07007	16.3
130.07809	4.7
131.04890	1.7
131.08574	43.7
133.06480	5.4
133.10141	11.5
135.08054	6.6
135.11684	3.9
137.09592	1.3
139.07581	1.9
139.11176	3.5
141.06999	6.9
142.07784	3.1
143.08568	42.2
145.05019	1.4
145.06505	1.6
145.10135	42.5
145.11278	2.1
147.04437	5.1
147.08058	7.9
147.11693	6.3
149.09630	5.9
149.13251	2.1
151.11192	2.0
153.09183	1.4
155.08556	6.0
157.10165	11.2
159.08098	4.3
159.11713	7.8
161.09601	7.1
163.03857	1.8
163.11220	4.6
167.08611	2.0
169.10133	8.9
171.08116	1.3
171.11716	9.9
173.09601	2.7
173.13284	1.8
175.11206	4.7
177.12759	4.2
180.09253	1.7
181.10168	6.1
183.11720	6.1
185.13287	4.8
187.11211	2.6
189.12813	1.5
193.12170	2.2
195.11755	12.7
199.11211	2.9
199.14818	1.7
201.12749	1.8
203.17987	1.6
209.11636	2.3
209.13387	2.2
211.13254	3.7
213.12859	3.3
227.12802	3.0
227.17941	3.6
235.13272	1.4
237.16411	11.8
245.18958	2.7
255.17435	15.8
273.15500	1.9
273.18518	36.2
283.15436	4.9
291.19498	3.4
325.14398	2.1
329.21301	1.5
347.22211	100.0
365.23294	6.1
509.27347	4.3
527.28357	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	527.3737
Annotation	Fomlactone A
Peak:m/z	Relative Intensity
51.29652	0.9
53.03933	2.0
53.96399	0.9
55.01866	1.5
55.05518	10.7
57.03427	3.2
57.07073	3.8
58.07395	0.8
60.73008	0.7
65.03938	1.2
67.05508	19.4
69.07073	6.7
71.08632	1.5
73.06566	1.1
79.05067	1.4
79.05492	13.6
81.03423	2.0
81.07065	19.6
83.04973	2.2
83.08608	5.2
85.06532	1.3
89.06032	12.4
90.06348	1.9
91.05484	15.1
93.07049	14.0
95.04972	3.1
95.08616	11.7
97.06532	2.5
97.10166	2.7
105.07043	14.8
107.08605	7.8
109.06519	1.0
109.10137	5.2
115.05471	1.4
117.07039	9.2
119.08598	10.2
121.10154	5.9
123.11705	1.8
128.06281	2.3
129.07024	8.5
130.07761	1.2
131.08574	13.1
133.08626	5.1
133.10139	8.1
134.08937	1.8
135.11691	2.8
137.09555	0.9
141.07022	2.7
142.07771	2.2
143.08592	9.3
145.10141	13.9
147.11699	4.6
149.13263	1.5
154.07849	1.1
155.08572	6.6
157.10146	10.2
159.11703	7.5
161.13303	2.2
167.08609	3.0
169.10126	5.8
171.11702	8.3
172.72498	0.8
173.13269	5.8
175.14786	0.9
177.11284	2.1
177.12726	0.9
181.10150	3.8
183.11696	8.2
185.13263	5.7
187.14906	2.0
189.65642	0.9
193.10101	0.9
195.11732	3.1
197.13264	5.4
199.14876	4.4
209.13287	2.0
211.14876	3.1
213.16484	1.3
223.14917	2.8
225.16447	2.1
227.17952	0.9
235.14874	1.1
251.18034	1.0
259.20566	1.3
315.23184	0.9
323.23688	1.4
327.20068	3.1
328.20511	3.6
417.31717	3.1
435.32690	9.2
453.33841	5.1
471.34561	3.2
509.36261	7.5
522.44177	0.9
527.37335	100.0
528.38312	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01876	1.5
55.05519	12.5
57.03424	3.0
57.07058	2.3
65.03943	1.6
67.05183	1.4
67.05509	19.3
69.07074	8.6
71.04968	2.5
79.05498	18.5
81.03403	1.8
81.07060	20.3
83.04988	2.0
83.08639	5.2
85.06527	2.0
89.06037	15.7
90.06363	2.6
91.05483	19.1
91.92446	0.8
93.07045	18.6
95.04964	2.7
95.08065	1.2
95.08614	15.8
97.06547	2.4
97.10162	2.6
99.08050	0.9
105.04523	1.0
105.07031	18.5
107.04958	2.0
107.08599	11.2
109.00791	0.9
109.06516	0.9
109.10161	5.9
111.08086	1.0
115.05465	1.8
117.07028	9.3
119.08588	11.1
121.10143	6.2
123.11700	1.6
125.09604	1.6
128.06189	2.3
129.07007	9.7
131.08563	13.9
133.08627	8.9
133.10130	9.8
134.08955	1.8
135.11694	3.2
141.06985	1.8
142.07774	2.8
143.08565	10.8
144.09300	1.1
145.10133	15.2
147.11702	5.7
149.09698	1.1
149.13295	2.4
155.08577	6.6
157.10139	10.8
159.11700	9.0
163.11267	1.1
167.08606	2.5
169.10120	7.9
171.11690	8.7
173.13242	5.1
175.11263	2.2
177.11227	2.4
181.10081	4.3
183.11696	8.0
185.13211	5.9
187.14810	2.2
193.10205	1.5
193.12259	1.8
195.11725	2.6
197.13283	6.5
199.14856	3.7
201.16379	1.9
201.41394	0.8
207.11685	1.5
209.13290	3.4
211.14850	3.9
213.16367	1.8
223.14824	2.4
235.14816	1.5
237.16412	1.3
259.20554	1.8
265.19730	1.2
283.20569	1.2
295.20233	0.9
301.21405	1.1
311.23676	1.4
315.23294	1.7
316.88885	0.9
323.23703	1.2
327.20215	4.1
328.20416	5.8
337.25388	0.9
347.23761	1.0
417.31540	3.8
433.29153	0.9
435.32605	12.8
453.33334	4.7
471.34653	3.2
491.35388	1.4
509.36365	7.3
527.37347	100.0
528.38000	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	528.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01870	2.7
55.05513	4.6
57.03437	6.9
60.98578	1.3
61.02921	7.1
67.05516	10.7
69.03425	5.1
69.07074	4.3
71.52441	2.0
73.02908	3.2
79.05499	9.1
79.56821	1.4
81.03413	4.6
81.07050	11.4
82.07405	1.5
83.04984	1.5
83.08628	3.3
83.39672	1.2
85.02911	16.1
85.06555	3.3
85.98399	1.4
87.04474	1.7
91.03952	3.7
91.05498	7.4
92.05821	2.7
93.07056	8.8
95.04965	13.0
95.08578	7.2
96.05311	1.9
97.02890	6.7
97.06536	3.4
97.10180	2.2
99.04443	2.2
100.35319	1.4
105.07063	7.8
107.04991	2.9
107.08611	3.8
109.02888	1.6
109.06534	9.2
109.10198	7.1
110.06850	1.9
111.08075	1.9
112.05767	1.7
113.06006	6.6
114.06331	1.5
117.07021	4.0
119.04945	1.5
119.08595	5.5
121.10170	2.6
127.03936	5.1
129.07027	2.9
131.08563	12.4
133.10147	4.6
135.08025	5.7
135.11711	2.4
136.12018	1.9
143.08514	5.0
145.04945	1.6
145.10150	5.3
147.04408	5.0
147.11679	5.3
149.13310	1.9
153.10449	1.6
155.08565	2.7
157.10173	4.9
161.05997	1.4
161.13235	4.3
163.07332	1.5
169.10098	2.4
171.11722	4.9
175.06261	1.6
175.07565	8.2
177.05527	2.1
178.05806	1.6
181.12335	1.7
183.11696	3.9
187.07565	5.2
189.09100	1.8
193.12238	2.7
197.13380	2.0
201.09050	2.3
203.10651	1.7
211.11104	6.8
213.16353	2.2
218.64137	1.2
224.60718	1.6
229.12311	4.8
239.14476	1.8
239.17926	10.2
246.24538	2.5
249.16386	4.1
257.15350	12.6
260.59656	1.6
267.17484	29.7
273.18527	3.2
274.18835	5.3
285.10114	3.9
285.18509	65.6
287.92575	1.7
291.19556	5.8
292.19952	12.3
295.16855	6.1
301.50803	1.7
313.17987	26.8
331.19052	100.0
349.20010	17.4
364.14636	2.5
366.23624	1.8
372.21674	3.0
528.28271	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	528.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.0
55.05276	1.7
55.05516	23.3
57.03445	14.4
57.07066	3.3
57.59789	1.9
59.04996	2.8
65.24890	1.8
67.05508	75.8
69.03420	3.9
69.06796	1.4
69.07071	17.9
69.62676	3.7
69.63092	6.2
71.04977	6.5
71.08641	13.4
75.08414	1.6
79.05148	1.7
79.05500	21.4
81.03416	4.5
81.07060	38.5
83.04980	4.8
83.08618	14.7
83.55156	1.7
85.02897	3.7
85.06530	3.7
86.09702	3.5
88.97127	1.8
91.05497	14.8
93.06566	2.2
93.07053	25.6
95.04957	7.5
95.08601	19.0
97.06538	6.7
97.10172	12.2
98.98448	3.1
99.08096	10.9
105.07027	10.1
107.04942	2.4
107.08598	19.0
109.06534	2.7
109.10164	58.0
111.08031	2.6
117.07001	4.8
119.08595	14.4
121.06546	3.3
121.10149	10.6
123.04401	3.3
123.11701	4.2
125.09628	10.3
131.08626	2.8
131.90797	1.6
133.10094	7.6
135.08026	2.8
135.11665	6.7
137.09584	5.8
138.63351	1.5
139.11130	2.4
145.10106	3.4
147.08047	2.5
147.11693	5.5
149.13266	4.2
151.11177	4.3
155.10645	6.0
158.84462	1.6
159.11746	4.1
161.13283	3.2
163.03952	2.8
163.11179	4.3
163.14801	2.6
173.11755	24.9
175.14621	1.9
177.12756	3.6
179.14311	2.1
184.07426	3.2
189.11172	6.1
195.13808	2.6
196.13293	2.8
216.06332	4.2
217.53262	1.9
218.30482	1.8
227.12825	3.0
229.14354	100.0
241.19522	2.4
250.56613	2.1
267.09036	7.5
268.09372	3.2
269.17487	38.9
277.21619	20.6
285.10062	4.6
286.10388	3.7
295.22687	4.3
299.11542	3.9
317.12793	2.4
318.13214	3.1
331.08325	2.2
333.24210	10.5
351.25327	69.5
352.15247	17.8
369.26395	52.5
370.16339	9.8
374.17105	2.2
387.27365	9.6
392.18341	16.1
441.67819	2.0
474.26038	5.5
492.27029	6.2
528.31653	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	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.4
55.01873	9.2
55.05516	27.2
57.03444	17.8
59.04993	2.3
61.59866	2.0
65.03943	2.5
67.05511	28.9
69.03432	3.1
69.07067	7.7
69.99187	7.5
71.01348	1.7
71.04990	5.8
79.05495	32.3
81.03423	65.5
81.07059	36.1
83.01342	6.9
83.04985	22.2
83.08626	29.3
85.02911	22.5
85.06564	2.2
91.05485	36.9
93.07046	35.7
95.04976	25.7
95.08606	14.5
97.02930	3.8
97.06545	6.7
97.10181	5.0
99.04443	3.2
99.08122	2.1
105.07041	26.3
107.04945	13.1
107.08604	14.4
109.06517	10.6
109.10155	4.8
111.04462	3.9
111.08070	11.0
117.07031	9.7
119.08581	20.9
121.06501	5.3
121.10168	15.9
123.08076	7.2
125.09634	2.2
129.07014	10.0
131.08575	14.4
133.10144	10.9
135.08078	2.3
135.11700	10.1
137.09613	4.3
142.07785	2.5
145.10112	13.7
147.04329	2.3
147.08029	3.3
147.11688	15.1
149.09657	7.0
153.12692	2.1
157.10133	10.6
163.11192	22.3
165.12778	3.1
173.09563	2.6
175.11197	11.4
181.12280	2.9
191.10701	2.8
193.12253	41.6
209.11685	10.5
211.13307	84.4
224.01758	1.7
227.12793	6.2
267.15906	15.0
283.15421	100.0
285.16971	61.0
383.22079	3.6
475.27127	17.0
493.27972	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	528.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53122	0.9
55.05513	13.2
57.03439	4.0
57.07079	27.5
60.04515	1.4
62.05655	0.7
63.19506	0.7
67.05511	5.2
69.07074	17.4
71.08637	26.8
71.12130	0.9
71.52917	1.2
73.06560	6.1
79.05485	3.3
81.03398	2.1
81.07059	5.0
83.08150	1.5
83.08620	18.8
85.10189	23.4
87.04462	3.6
89.06036	80.4
91.05466	1.6
91.07610	1.0
93.07047	4.4
95.08628	5.1
97.06545	1.9
97.10177	13.1
98.98462	4.4
99.11710	2.5
105.07049	1.7
107.07051	1.9
107.08577	3.7
109.10161	2.4
111.08138	0.8
111.11717	3.1
117.06895	1.0
117.09145	4.1
119.08533	1.3
120.96652	2.1
121.10134	2.2
125.09654	0.9
129.07040	1.1
130.08640	2.1
131.07047	1.7
131.08554	1.4
133.08606	43.9
133.33966	1.0
135.11682	2.0
141.16360	2.4
149.13182	1.2
155.01024	1.3
161.11755	1.0
173.02121	1.4
177.11227	18.9
185.19002	5.2
192.00345	2.7
194.58388	0.8
196.86063	0.9
198.97345	1.2
212.94000	0.8
221.13869	3.7
226.21581	1.5
229.21629	8.1
237.22092	0.9
239.14883	1.5
265.16418	1.1
273.24219	5.8
283.17398	2.0
311.25815	100.0
327.20172	1.5
350.79413	0.9
371.22858	7.9
436.32840	2.0
447.24884	2.0
467.35364	1.3
511.38437	13.0
528.23828	1.2
528.37054	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	529.1692
Annotation	CHEBI:66839
Peak:m/z	Relative Intensity
55.35728	0.5
56.96560	0.8
57.85120	0.6
67.61761	0.5
70.06601	0.6
70.46476	1.9
81.03424	0.7
85.02917	0.7
98.97601	4.7
112.99164	1.3
113.98438	0.6
114.59504	0.5
116.98624	1.3
131.00227	1.3
158.99644	1.1
159.11685	0.9
161.85098	0.6
173.01227	0.7
177.00787	0.8
184.07423	0.7
235.06294	0.6
243.35072	0.6
275.09601	0.7
281.10657	1.0
289.02374	0.5
293.10715	0.9
335.12170	0.6
337.06866	0.8
341.12888	0.6
443.16174	0.9
461.17041	0.7
463.13776	0.6
481.14883	1.1
485.17892	5.9
499.15280	0.7
529.16791	100.0
530.17194	1.2
535.19647	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08400	0.2
65.13056	0.2
70.26427	0.5
71.01344	0.2
85.02889	0.2
85.17171	0.2
89.73899	0.2
119.03542	0.5
136.06187	100.0
137.04617	0.3
137.50150	0.2
139.55353	0.2
143.01981	0.2
173.02956	0.5
185.02899	0.3
245.05090	0.8
268.10410	33.1
335.35144	0.2
359.88892	0.2
365.09158	0.3
527.72382	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	529.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.4
55.01868	8.0
55.05523	11.3
57.03426	4.7
61.02926	3.7
66.86009	2.3
67.05508	21.0
68.12601	2.4
69.03427	5.0
69.07076	22.3
69.92018	4.6
69.92417	6.0
71.08604	3.4
79.05491	17.5
81.03427	13.2
81.07061	25.1
81.36582	2.6
83.04977	5.5
83.08620	6.3
85.02917	4.2
87.04391	2.2
91.05482	20.6
93.07036	20.4
95.01294	6.4
95.04980	7.0
95.08618	16.6
97.02912	3.2
97.06530	12.5
105.07033	25.9
107.04962	12.7
107.08585	9.4
109.10178	5.6
117.06981	6.4
119.08584	15.1
121.06499	3.0
121.10122	6.0
123.08085	4.5
125.09554	3.1
127.03949	4.5
131.08606	8.1
131.29227	2.2
133.10135	14.9
135.11681	4.5
143.08612	2.4
145.06505	2.5
145.10117	7.6
145.53032	2.4
145.80179	2.4
147.11726	4.2
149.09634	3.7
149.13200	2.2
159.11760	4.3
161.13362	3.2
163.11130	3.1
173.58908	2.4
179.14357	6.1
195.64182	2.6
247.20619	2.5
257.90668	2.4
275.20087	33.3
293.21060	16.2
349.23724	100.0
358.57816	2.5
367.17972	3.6
367.24753	4.2
529.16724	3.3
529.24042	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	529.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01878	4.2
55.05518	16.3
57.03439	2.3
57.73975	2.0
61.02922	2.8
64.34427	2.1
66.08498	2.1
67.05505	22.6
69.03442	3.1
69.07056	8.7
71.03327	2.6
71.03629	2.3
71.04993	2.2
71.11880	2.1
79.05497	35.5
81.03404	8.3
81.07069	22.3
83.04979	10.9
83.08619	8.8
85.02905	5.2
91.03925	3.0
91.05484	16.0
93.07040	27.6
94.09119	2.2
95.04985	5.3
95.08619	13.7
97.06536	4.3
97.10170	5.3
105.07043	20.1
105.56798	2.2
107.04932	9.6
107.08587	26.0
109.06514	2.5
109.10152	10.3
117.07014	7.5
119.08592	11.0
121.10111	8.9
125.09621	5.3
128.49869	2.1
131.08559	8.0
133.10164	12.6
135.11746	4.3
143.08540	2.7
145.10101	6.7
147.11688	7.9
149.09647	14.8
149.13217	2.6
159.11674	8.1
161.13275	2.8
163.11160	3.8
167.10559	2.1
188.26041	2.2
189.11206	5.8
191.14255	2.6
193.12170	2.5
195.00380	2.6
211.13229	3.3
257.19055	3.7
275.20117	23.8
283.15179	3.8
284.15979	3.7
285.16888	2.5
286.17325	2.4
349.17075	4.4
349.23746	100.0
365.15561	2.6
367.17990	8.0
494.28342	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	529.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86629	3.4
54.82306	3.7
55.05505	5.0
57.03437	16.8
58.84583	3.2
61.13832	2.9
67.05502	23.3
69.07069	9.7
71.52341	4.4
76.05164	3.0
79.05477	19.5
79.81382	2.9
81.03411	7.5
81.07065	20.7
83.04976	3.6
83.08616	3.6
85.02932	4.9
90.01324	2.6
91.05513	20.4
93.07033	24.0
93.13396	3.6
95.04993	5.3
95.08617	15.4
96.08906	3.0
97.06536	3.0
105.07024	16.9
107.04911	3.2
107.08592	14.6
109.06553	4.3
109.10166	4.9
117.07017	10.0
119.08595	16.9
121.10091	7.5
123.08060	5.9
131.00189	3.1
131.08565	9.4
133.10150	11.1
135.11670	5.6
145.10136	9.7
147.11679	5.4
159.11703	6.1
163.11116	3.7
181.83862	3.4
185.13345	4.2
198.25374	3.8
211.13205	5.8
219.17441	62.8
227.12929	4.7
228.13136	4.4
275.20096	11.3
284.15720	5.0
286.17157	3.5
331.15851	3.9
349.17004	5.0
349.23758	100.0
372.00757	3.2
494.28470	9.6
511.28812	5.3
521.57971	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	529.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90650	3.9
53.03957	9.7
55.01861	19.1
55.05511	36.4
57.03435	30.3
61.02920	34.9
65.60162	4.1
67.05190	5.7
67.05509	84.5
69.03447	20.3
69.07069	27.9
70.08443	3.9
70.87128	3.9
71.04971	9.4
71.52896	6.7
73.02902	18.5
75.11933	3.8
79.05496	56.7
81.03412	35.1
81.07058	100.0
83.04969	24.4
83.08613	22.7
85.02904	41.1
85.06530	7.6
89.67702	4.1
91.03931	13.3
91.05478	52.1
92.05778	5.1
93.06490	5.8
93.07045	66.3
95.04967	24.3
95.08604	48.2
97.02915	24.1
97.06522	45.2
97.10166	19.1
98.98433	4.7
99.04454	6.0
101.02376	4.3
105.07030	54.0
105.28481	3.7
107.04962	18.6
107.08590	51.4
109.02895	9.2
109.06497	11.1
109.10114	19.4
111.04424	8.4
111.08086	8.6
117.06982	23.5
119.08593	44.3
121.06557	5.7
121.10162	28.9
123.08072	4.9
123.11699	9.0
125.09629	10.7
127.03887	17.6
127.41235	4.2
129.05498	9.1
129.06975	9.8
131.08597	25.5
133.06552	4.9
133.10149	35.7
135.08072	13.5
135.11708	24.5
137.09570	9.1
143.08478	4.4
145.10135	27.0
147.11711	19.3
149.09616	18.6
149.13258	15.8
151.07428	3.8
151.11128	5.4
157.10095	9.6
159.11711	19.4
161.09666	4.2
161.13284	5.0
163.11150	22.0
171.10181	5.5
171.11705	5.3
173.11832	6.0
173.13194	6.6
175.11185	7.2
177.12730	7.8
179.14325	5.5
181.12286	8.1
183.11763	5.4
187.11188	4.2
189.11192	8.7
191.10715	8.1
193.12222	15.8
195.13699	11.1
207.56955	4.3
211.13261	11.9
227.12772	18.1
229.14276	8.1
236.19954	4.4
238.26204	4.3
239.17763	4.6
245.13823	5.5
247.20676	5.8
257.19000	7.1
265.14291	13.7
269.17487	51.0
275.20059	61.0
283.15405	7.8
285.17068	9.7
293.21014	11.2
301.16266	5.7
337.14322	4.7
349.23721	78.7
367.24780	36.8
422.64648	4.0
465.89346	5.6
475.27072	8.8
493.28125	9.6
511.28873	12.9
517.41425	4.4
529.21057	6.0
529.30096	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	529.3504
Annotation	Sapelin E acetate
Peak:m/z	Relative Intensity
55.75176	1.0
57.07054	2.6
65.46185	1.1
67.05525	5.0
69.07077	1.5
71.08615	1.1
73.80813	1.0
79.05498	2.5
81.07059	4.6
83.08662	1.4
85.10149	1.2
89.06039	2.6
91.05497	2.4
93.07042	3.0
95.08598	4.0
98.20817	3.1
105.06994	1.3
105.62127	1.1
107.08584	2.0
109.10155	2.2
121.10137	1.9
133.08624	1.2
135.11641	1.6
169.68671	1.3
195.09976	4.4
229.44330	1.3
251.12503	2.7
375.23172	1.2
439.11404	1.1
528.49603	1.4
529.34918	100.0
529.50513	4.6
530.35498	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57505	1.1
53.03940	2.2
53.20493	1.1
55.01863	2.3
55.05281	1.1
55.05514	21.6
57.03199	1.0
57.03445	11.1
57.06827	1.6
57.07080	16.4
59.04987	1.9
65.03930	1.4
66.90392	1.2
67.05508	46.6
69.07075	28.5
71.04978	3.0
71.08637	10.2
73.06564	1.3
75.04478	3.3
79.05080	1.6
79.05499	25.6
81.07061	53.3
83.04985	2.9
83.08153	1.6
83.08627	23.1
84.62048	1.1
85.06508	3.0
85.10160	4.8
89.06001	1.3
91.05480	17.6
93.06493	2.1
93.07050	30.6
95.04949	3.2
95.08615	40.7
97.06540	8.3
97.10168	16.9
99.08087	1.8
103.48399	1.0
105.04509	1.4
105.07032	12.4
107.07890	1.4
107.08600	17.4
109.10155	15.1
109.43436	1.2
111.08051	3.3
111.11726	3.5
112.31946	1.2
115.07562	1.5
117.07030	5.4
119.07970	1.0
119.08612	10.7
121.10147	18.3
123.08082	1.3
123.11724	6.1
125.09652	2.1
129.06979	5.0
131.07039	1.2
131.08580	12.4
133.10133	6.5
135.11699	13.3
137.13228	3.0
139.11253	2.1
142.07816	1.2
143.08549	4.8
145.10139	8.8
147.11685	4.2
149.13268	9.5
153.12679	1.2
155.08530	3.4
157.10135	5.7
157.12204	1.4
159.11697	6.8
161.13249	3.4
163.14818	2.5
167.14293	1.7
169.10162	2.9
171.11725	5.8
173.13271	4.4
177.16376	2.8
179.14241	1.2
183.11739	2.4
185.13246	2.9
187.14876	2.8
195.11778	1.4
195.13710	1.1
197.13313	1.2
199.14784	1.8
201.16325	2.2
209.13261	1.3
213.16518	1.9
225.16478	1.9
248.26759	1.2
256.26279	2.1
257.19244	1.2
261.22180	2.1
278.14047	1.1
317.32138	2.2
335.32892	2.5
345.31555	3.1
354.24655	1.2
363.32614	11.7
378.32022	1.3
393.92725	1.1
399.34695	21.1
419.32349	1.5
437.36392	17.3
452.69147	1.4
455.37357	23.9
511.39648	12.4
519.59875	1.1
522.04846	1.2
529.39105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23393	1.3
53.03937	6.0
55.01880	2.1
55.05309	1.3
55.05518	13.0
57.03437	2.7
57.07085	1.7
65.03941	2.3
67.05511	51.0
69.07073	15.8
71.04965	2.4
79.05498	36.8
81.03419	3.1
81.07060	52.2
83.04974	2.9
83.08618	7.8
85.06541	1.7
91.05491	23.5
92.12079	1.4
93.07053	45.6
95.04977	4.0
95.08616	27.3
97.06530	3.8
97.10194	2.3
99.08106	1.8
105.04578	1.8
105.07045	12.4
106.95345	1.2
107.08607	22.6
109.06567	2.3
109.10166	8.2
111.08119	3.8
117.07033	9.0
119.08591	9.4
121.10155	19.4
123.11757	3.4
129.07056	2.8
131.08568	11.0
133.10133	8.5
135.11702	9.9
143.08595	3.9
145.10112	7.0
147.11711	4.7
149.13260	17.1
157.10139	3.0
159.11719	10.1
161.13280	2.6
163.14862	1.8
169.10246	1.7
171.11739	3.7
173.13301	2.3
177.12764	3.4
187.14902	2.4
191.84842	1.4
195.13898	3.8
199.14769	1.5
205.33821	1.2
256.26428	1.7
261.22302	3.7
437.34424	2.7
455.35275	3.2
473.36230	1.7
511.38068	2.6
529.38983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.9
53.03937	2.7
53.41330	1.0
55.01871	2.2
55.05511	13.4
57.03422	2.8
57.07065	3.5
65.03935	3.0
67.05509	38.4
69.07072	13.1
70.06573	1.4
71.04988	1.9
79.05494	29.4
81.03413	2.3
81.07060	44.0
83.04990	2.6
83.08615	8.0
85.06547	2.1
87.04474	17.2
88.07617	1.6
91.04912	1.3
91.05480	23.3
93.07044	33.9
95.04964	4.2
95.08609	23.3
97.06529	3.7
97.10155	2.7
99.08096	1.9
102.09177	1.4
105.04575	1.4
105.07028	17.2
107.08598	18.3
107.09310	1.5
109.06522	2.7
109.10165	7.3
111.08080	2.9
117.07031	10.1
119.08593	11.2
121.06535	1.0
121.10147	12.1
123.11713	3.2
125.09631	1.8
128.06233	1.2
129.06976	4.6
131.08568	14.8
133.10143	11.4
135.11702	8.5
139.11102	1.0
141.07066	0.9
143.08575	3.8
145.10139	10.1
147.08180	1.0
147.11705	6.2
147.67810	0.8
149.09595	0.9
149.13260	10.0
151.11237	1.1
155.08578	3.6
157.10146	4.3
159.11702	10.8
161.13286	3.2
169.10152	3.2
171.11684	4.4
173.13269	5.5
175.14854	1.2
177.12808	1.9
180.74097	0.9
181.10216	1.4
183.11707	1.6
185.13287	3.0
187.14856	3.1
193.10004	1.0
195.11960	1.0
195.13794	4.0
197.13321	1.2
198.97510	1.2
199.14880	2.5
201.16473	1.4
202.43880	0.9
209.13295	1.1
211.14966	1.0
223.15015	1.2
225.82846	1.1
256.26364	15.9
257.19208	1.0
261.22192	2.6
283.20871	0.9
289.21210	0.9
419.33215	2.3
437.34375	6.4
455.35318	2.9
493.36292	1.2
511.38391	4.7
529.23053	4.1
529.38934	100.0
530.38135	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	529.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.01889	1.4
55.05513	9.4
57.03434	2.3
57.07071	2.9
64.98970	0.6
65.03935	1.2
67.05508	27.6
69.07072	10.8
70.06583	0.6
71.04984	1.7
71.08631	1.1
77.03908	0.7
78.61381	0.5
79.05495	21.1
81.03430	1.0
81.07056	28.5
83.04975	1.8
83.08617	6.0
84.68277	0.6
85.06535	1.9
87.04453	0.8
91.05485	16.8
91.06026	1.2
93.07047	23.9
95.04971	2.0
95.08610	16.2
97.06514	3.6
97.10162	1.6
98.21531	1.2
105.04536	1.3
105.07033	17.2
107.07890	0.8
107.08604	12.5
109.06505	0.7
109.10152	6.6
111.08095	1.0
115.05482	1.0
117.07021	8.1
119.08575	11.6
119.68634	0.5
121.06559	0.8
121.10151	8.3
123.08006	0.7
123.11721	2.4
125.09669	1.5
125.52012	0.6
128.06232	0.8
129.07024	4.3
131.08566	14.4
131.59872	0.6
133.10138	9.0
135.08052	0.8
135.11694	4.9
137.13229	1.1
141.07039	1.2
143.08563	6.2
145.10129	11.4
146.05814	0.6
147.11688	5.2
148.55646	0.6
149.13249	4.6
151.11313	0.8
155.08559	3.1
155.14465	0.6
157.10123	5.5
159.11690	8.6
161.13297	2.9
163.14874	1.6
167.08612	0.9
169.10149	3.3
171.11707	4.8
173.13266	4.7
175.14865	2.0
177.12781	1.4
181.10164	1.5
183.11737	2.1
185.13271	3.5
187.14764	2.8
193.12396	0.5
195.11890	1.3
195.13872	2.6
197.13358	2.2
199.14899	2.8
201.16454	2.0
209.13306	1.6
211.14874	1.6
213.16423	1.8
215.17982	1.0
221.13351	0.7
223.14853	1.4
225.16357	1.3
230.89279	0.6
237.16566	1.1
239.17989	0.9
243.21143	0.7
253.14388	2.0
259.20688	1.3
261.22250	1.9
283.26398	1.1
284.26709	1.3
285.22183	0.8
311.23730	1.5
312.29733	1.2
313.25336	0.8
317.24896	0.9
325.25439	0.6
329.24969	0.7
329.58987	0.7
339.26837	0.9
349.25790	0.6
417.30734	0.7
419.33020	2.3
437.34195	8.8
455.35278	3.5
473.36447	2.1
493.37189	0.8
506.50873	0.7
511.38089	5.4
529.38928	100.0
529.50037	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	530.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.01870	7.2
55.05265	3.6
55.05513	38.0
57.03439	18.4
57.07071	5.4
63.56235	2.5
65.03957	6.3
67.05508	100.0
69.03425	3.5
69.07067	25.1
71.04971	5.4
71.52969	3.9
73.02927	5.9
77.26973	2.4
79.05499	50.5
81.03409	13.1
81.07057	86.0
82.07389	3.8
83.04982	8.5
83.08624	23.5
85.02896	11.4
85.06525	6.3
86.74713	2.7
87.04473	9.0
91.05491	40.1
93.07047	41.2
95.04968	6.1
95.08611	29.3
96.08932	3.7
97.02898	2.8
97.06533	9.7
97.10162	14.7
105.07064	15.5
107.04970	4.0
107.08599	29.2
109.10168	41.3
111.08099	5.1
117.07024	8.4
118.77445	2.7
119.08584	10.5
121.06477	5.1
121.10137	11.9
121.80906	2.7
123.08099	5.3
123.11710	4.7
125.09652	18.1
129.05461	5.0
129.07008	3.5
131.08565	11.9
133.10176	19.9
133.54736	2.8
135.08028	4.0
135.11703	12.7
137.09604	4.6
143.08478	3.0
145.10127	8.9
147.11684	4.0
149.13283	19.8
151.11238	3.3
155.10669	2.8
159.11714	10.6
163.11215	7.0
173.11729	14.8
177.12825	4.3
195.13786	19.9
199.13292	7.7
209.11766	4.6
215.95129	2.8
229.14377	45.6
267.15839	3.0
269.17471	60.6
301.16418	11.0
313.27371	6.2
393.25958	2.9
411.27353	5.5
423.27432	16.8
495.29535	21.2
513.30396	15.9
530.23413	3.5
530.39374	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	530.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	6.5
55.05521	24.8
57.03444	22.0
67.05508	41.8
69.03425	8.7
69.07053	12.4
69.49467	26.7
71.04994	5.8
79.05497	48.9
81.03420	81.9
81.07066	44.6
83.04970	16.6
83.08611	39.6
85.02905	26.2
91.05494	56.4
93.07044	38.2
95.04979	40.0
95.08602	25.4
97.02914	6.5
97.06552	7.1
97.10166	5.8
104.56533	4.2
105.07040	41.4
107.04955	12.5
107.08622	20.9
109.06512	10.7
109.10160	6.8
110.45618	4.8
111.04448	4.9
111.08058	13.3
117.07020	6.7
119.08595	36.9
121.10159	20.3
123.11723	5.0
125.09647	4.7
129.07002	11.1
131.08560	20.6
133.10141	21.9
135.11693	7.4
145.10167	6.7
147.11722	24.5
149.09654	6.8
157.10143	25.8
160.62250	3.8
161.13307	6.1
165.12691	6.5
175.11163	16.3
184.65547	5.1
193.12245	65.3
201.84407	5.0
211.13295	98.5
219.17430	9.9
220.17778	16.5
259.20535	19.8
267.15909	35.1
284.50244	4.2
285.17001	100.0
346.76422	3.7
349.23978	7.0
350.24240	20.9
351.25272	13.0
459.27206	15.0
477.28552	28.9
482.49341	4.2
487.17639	6.4
495.29581	77.4
530.21570	4.2
558.48230	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	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.1
55.01870	2.9
55.05511	18.2
57.03439	15.1
60.46291	0.8
60.63722	0.8
65.03934	2.0
67.05505	25.6
69.03417	5.5
69.07068	7.4
69.34224	6.9
71.05006	4.9
72.69945	0.8
79.05497	30.0
81.03419	74.9
81.07059	33.1
83.04986	18.1
83.08625	25.3
85.02907	28.2
85.06552	2.3
90.86728	0.8
91.05485	40.1
93.07047	20.1
95.04972	32.9
95.08608	8.7
96.94917	0.9
97.02902	3.1
97.06535	5.6
97.10166	5.0
99.08099	1.4
105.06322	1.5
105.07032	27.9
107.04952	9.7
107.08595	8.2
109.06532	5.2
109.10172	2.8
111.04459	3.3
111.08084	12.9
113.06007	2.4
115.05489	1.5
117.07023	1.6
119.04913	1.5
119.08584	21.9
119.09372	1.6
121.06490	2.4
121.10149	11.2
123.08097	2.9
123.11732	2.4
125.06050	0.9
125.09644	1.7
127.07549	1.1
128.06346	1.4
129.07010	13.5
131.08563	13.9
133.06494	3.8
133.10139	14.1
135.08040	1.2
137.09596	1.8
142.07765	4.2
145.10133	2.4
147.08035	4.4
147.11685	20.2
149.09616	8.8
151.11163	1.1
157.10141	18.8
159.59019	0.8
163.11185	1.6
165.12781	2.9
175.11180	17.5
193.10411	1.9
193.12245	61.6
211.13292	100.0
220.08015	0.8
249.14972	1.2
267.15930	26.7
270.67526	0.8
285.16968	97.0
364.91763	0.8
367.22720	2.3
385.23547	2.5
459.27472	10.3
477.28522	13.2
481.82346	0.9
495.29529	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.0
55.01878	4.5
55.05512	20.4
57.03437	11.1
57.23085	1.2
59.04995	1.3
61.03413	1.2
65.03939	2.2
67.05181	1.9
67.05510	26.1
68.50354	1.0
69.03419	5.8
69.07076	8.3
70.24294	2.9
71.04990	3.0
79.05142	0.7
79.05496	30.6
81.03420	79.4
81.07063	28.4
82.03773	1.5
83.04987	21.7
83.08623	25.9
85.02907	23.9
85.06540	1.3
91.05486	42.4
93.07045	17.0
95.04966	29.7
95.08609	10.8
97.02908	3.0
97.06528	4.5
97.10178	5.2
100.78822	1.5
105.07037	28.5
107.04967	9.8
107.08601	9.8
109.06543	5.7
109.10156	4.2
111.04479	1.4
111.08089	10.9
113.06001	2.9
115.05488	1.8
117.06967	2.0
119.08587	22.8
121.06487	2.7
121.10147	9.8
123.08066	2.1
125.06125	1.4
125.09629	2.0
125.48026	1.1
129.07022	12.1
131.08589	12.0
133.06494	3.5
133.10126	14.1
137.09601	1.8
138.42827	1.3
142.07793	3.6
145.10080	1.6
147.08035	3.2
147.11693	15.3
149.09641	5.9
155.82582	1.2
157.10118	16.9
165.12801	4.2
175.11180	17.1
175.12563	1.8
184.07426	1.3
193.10477	1.5
193.12256	60.2
211.13293	100.0
262.61279	1.4
267.15927	20.2
285.16968	52.8
332.74350	1.2
355.15250	1.7
367.22668	2.2
385.23792	2.4
388.60440	1.3
459.27313	12.7
477.28497	19.0
495.29553	50.5
537.49329	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89309	0.9
53.03944	5.9
55.01873	1.8
55.05508	1.5
57.03432	3.3
61.02924	3.1
63.72742	1.2
67.05513	2.1
67.87954	0.9
69.03428	16.2
69.07047	1.7
71.04993	4.7
71.52702	1.2
73.02911	5.8
79.05478	2.2
81.03416	18.6
81.07051	2.8
83.04987	5.8
85.02906	75.8
87.04493	1.6
91.03979	1.2
91.05468	2.4
93.07050	2.2
95.04973	1.9
95.08603	3.5
97.02890	29.2
97.06545	2.2
99.04459	40.2
99.05116	2.1
103.03944	77.7
103.88721	0.9
105.07034	2.5
107.08604	3.0
109.02882	20.5
109.06515	6.2
111.04446	3.4
119.08564	2.9
121.06468	1.1
121.10146	2.7
123.08072	32.8
127.03919	100.0
133.10117	2.5
143.08667	1.2
143.88986	1.0
145.04955	61.7
145.10089	1.5
147.11696	2.3
149.09578	9.2
151.11182	1.8
153.01834	1.8
154.47173	1.1
161.13217	1.8
163.06020	40.5
163.07422	2.1
163.11203	2.1
165.12767	2.2
167.10652	2.0
169.04982	1.3
177.05542	1.1
181.12256	2.8
187.06009	8.5
189.12721	4.1
199.06023	1.5
205.07141	6.6
205.12346	2.3
207.13803	12.2
225.14867	18.1
242.05965	1.0
271.08197	6.9
272.06827	1.2
289.09128	4.1
300.55264	1.1
307.10147	8.1
355.08145	9.6
369.13428	2.4
399.10754	12.4
513.20807	2.1
531.18719	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	531.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.1
54.68873	1.9
55.05513	4.1
57.68148	2.0
59.04999	4.6
62.77900	1.9
67.05499	6.3
69.03430	16.7
69.07095	3.2
69.85229	9.0
70.06596	3.5
71.05004	5.3
72.08154	5.2
73.02913	4.6
79.05484	2.9
81.03429	18.8
81.07049	3.9
83.04980	4.3
85.02909	78.5
86.06056	3.6
86.09711	4.4
87.05591	10.2
91.05476	7.4
93.07040	5.1
95.04979	3.4
95.08611	2.9
97.02898	24.4
98.21432	2.6
99.04454	37.6
101.05956	2.2
103.03951	98.9
105.07045	8.9
107.04898	2.0
107.08588	18.4
109.02889	15.0
109.06561	9.5
109.10143	10.3
114.05513	5.3
119.08579	6.7
121.10178	3.2
123.08089	7.9
127.03927	100.0
131.08630	2.5
133.10179	4.2
135.08037	3.4
135.11705	3.7
137.09628	54.7
145.04971	78.0
149.09607	3.9
151.07628	3.0
161.13301	2.2
163.03978	3.1
163.06023	72.6
163.11214	3.4
185.57590	2.3
187.06041	5.3
189.12735	6.0
205.07071	5.4
207.13840	25.0
225.14873	6.3
228.09772	9.7
257.06830	2.0
271.08096	8.9
289.09213	5.4
299.17184	4.5
307.10233	16.5
327.16547	3.5
351.08469	2.4
369.13373	2.7
370.98199	2.2
399.10532	3.7
531.24878	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	531.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59194	2.3
53.03944	7.1
55.05501	2.9
56.39799	2.5
56.96553	3.0
57.03441	4.3
61.02931	3.1
65.52174	2.4
67.05499	12.2
69.03419	11.5
70.06602	4.8
71.04998	2.8
71.52607	4.6
74.60148	2.8
78.41797	2.6
78.84488	2.8
81.03423	16.7
81.07045	7.2
83.04980	5.4
85.02908	31.4
86.09689	3.2
89.14011	2.4
91.05475	5.9
93.07043	8.9
95.04974	3.0
95.08598	19.0
97.02892	15.2
97.06544	4.1
99.04457	16.4
100.32288	2.7
103.03954	34.4
105.07022	10.5
107.04927	2.4
107.08597	12.0
109.02186	4.4
109.02873	27.9
109.06525	2.9
109.10167	4.6
119.08572	10.6
121.06522	4.0
121.10149	8.3
123.08051	14.6
127.03931	40.9
133.10115	6.6
135.08063	5.7
135.11708	5.2
137.09616	12.4
145.04991	22.6
147.11664	6.3
149.09630	43.6
161.13237	8.0
163.06046	18.1
163.11195	6.7
165.09090	7.8
174.02573	2.6
174.10442	3.0
181.04950	4.2
181.12265	7.4
187.06053	3.8
189.12741	19.5
191.14268	3.4
207.13820	100.0
211.13222	3.7
217.07364	3.3
225.14795	13.0
237.09009	4.0
241.07524	5.7
259.08524	21.7
265.08578	6.0
283.06058	4.4
297.11322	3.2
303.05066	4.9
303.11163	4.8
307.10117	6.3
308.07077	3.6
323.09113	10.4
369.09482	3.8
402.35089	3.3
443.19556	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43148	1.8
52.82310	1.8
55.05518	2.3
57.03429	2.3
57.07071	2.6
59.05000	2.3
61.02926	2.5
67.05520	14.3
69.00155	1.9
69.03448	12.6
70.06565	2.7
71.04996	3.6
71.15285	4.5
72.08164	2.4
78.06346	2.1
79.05500	3.1
81.03418	15.4
81.07060	2.6
83.04984	3.6
85.02911	55.5
85.06542	5.0
85.21699	2.0
86.09715	4.9
91.05473	5.6
93.07024	6.2
95.08616	49.4
97.02889	22.6
97.06539	2.9
99.04465	38.3
103.03947	70.0
105.07024	4.8
107.08591	12.5
109.02882	12.7
109.06516	3.9
113.06004	5.6
119.08584	11.5
121.06495	2.6
121.10158	9.0
123.08070	25.5
123.11687	3.0
125.91227	1.9
127.02976	3.8
127.03928	72.6
131.08556	3.8
133.10168	3.2
135.08060	2.3
135.11705	9.7
137.09676	4.0
145.04962	49.3
147.08037	4.1
147.11671	5.1
149.09630	46.5
151.07535	3.6
161.13248	10.0
163.06032	38.8
163.07384	2.8
163.11240	5.1
165.09198	2.2
165.12727	5.0
171.11693	4.3
174.10440	2.7
181.12241	4.4
187.06088	5.0
189.12732	21.5
205.07048	2.5
207.13809	100.0
225.14893	7.1
241.07446	5.9
259.08609	14.5
271.08194	5.0
285.10104	4.9
289.09265	4.0
303.04852	4.0
303.11234	4.1
307.10117	9.4
435.12823	2.0
478.32962	2.3
513.22687	2.3
531.19006	14.0
555.15363	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	531.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51837	1.8
53.03936	4.2
55.01869	4.0
55.05512	14.4
57.03439	9.0
61.02941	2.0
65.03910	2.6
67.05508	32.5
69.03413	5.0
69.07069	22.4
70.64962	5.3
71.05002	4.1
71.08643	9.7
73.02913	2.3
79.05500	30.6
81.03441	3.4
81.07066	42.2
83.04967	6.1
83.08627	11.7
85.02908	4.3
91.05488	25.3
93.06490	2.4
93.07051	33.7
95.04957	5.8
95.08608	30.9
97.02888	10.8
97.06545	9.0
97.10174	4.3
99.04510	2.0
99.08096	8.2
99.27066	1.9
105.07034	17.5
107.04943	4.2
107.08603	21.1
109.02878	2.8
109.06514	3.3
109.10152	11.8
111.08063	2.2
115.05461	2.1
117.06991	4.8
119.08583	17.0
121.06503	2.9
121.10162	18.2
123.08099	2.3
123.11681	2.7
125.09634	2.7
127.03912	3.2
129.06970	3.9
131.08537	5.8
133.10143	15.5
135.11687	12.3
137.09662	2.9
143.08562	4.0
145.10100	7.5
147.11681	11.0
149.13240	7.4
151.11156	5.4
157.10074	1.9
159.11705	6.3
161.09650	1.7
161.13257	9.6
163.11143	3.0
165.12798	2.4
171.11771	2.7
173.13202	5.8
179.14325	22.3
181.87849	2.0
185.13226	2.3
189.12694	2.1
229.14278	2.9
241.19463	4.1
259.20676	10.4
277.18472	2.3
277.21616	32.6
277.24451	3.4
289.14096	4.1
314.51703	1.8
333.24271	2.3
351.25293	100.0
369.26178	3.6
477.28177	2.1
496.29889	2.7
513.30212	6.4
531.25470	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	531.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	4.6
55.01877	5.8
55.05512	32.7
57.03426	14.0
57.07062	8.4
62.27362	4.0
67.05196	4.2
67.05514	65.9
69.07078	29.2
71.04986	7.6
71.18376	4.9
73.14214	4.2
79.05489	50.2
81.03391	4.8
81.07060	56.4
83.04974	6.6
83.08605	11.6
84.82260	4.4
85.06504	4.9
87.04474	20.3
91.05477	54.7
93.07053	65.0
95.04990	5.9
95.08591	35.8
97.06508	10.3
97.10144	9.5
99.04395	3.8
102.72908	4.1
105.00094	10.0
105.07042	50.0
107.08601	40.1
108.60680	3.9
109.06543	5.6
109.10173	20.4
117.07014	15.4
119.08586	47.5
121.10129	21.5
123.11651	5.1
125.09600	6.6
129.06989	13.2
131.08595	33.5
133.10133	41.5
135.11702	26.7
143.08542	21.0
145.10109	35.5
147.11696	33.1
149.13255	11.4
151.11172	7.5
155.08623	8.6
157.10155	20.9
159.11728	29.1
161.09688	5.2
161.13237	13.9
167.08562	5.4
169.10106	7.9
171.11700	20.9
173.13243	22.3
175.14771	12.3
181.10080	6.4
183.11673	13.7
185.13240	15.4
187.14812	8.7
195.11673	5.6
197.13283	6.9
199.14828	8.6
209.13203	3.9
225.16162	4.6
232.74353	4.1
241.19504	15.2
253.14293	6.5
255.15912	26.0
259.20602	30.2
261.18796	4.9
333.24225	18.0
403.29608	5.3
421.30963	23.5
429.20602	4.4
439.31934	12.1
445.63300	4.2
457.33295	13.4
485.36172	7.3
495.34399	13.1
501.35791	6.2
503.37234	29.8
513.35840	99.4
531.24554	23.6
531.38196	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.4
56.05031	0.6
57.03438	0.2
57.20761	0.2
58.06365	0.3
58.06628	0.7
59.07397	0.3
60.08167	7.1
67.05502	0.7
71.07376	3.5
71.53020	0.3
79.05498	0.9
81.03384	0.3
81.07053	0.6
83.04980	0.2
83.08609	0.2
86.09708	33.0
91.05476	0.5
93.07039	0.7
95.06879	0.2
95.08617	0.3
98.98470	3.1
104.10749	9.8
105.07047	0.4
107.08596	0.4
109.10138	0.2
117.07011	0.2
119.08625	0.5
119.30284	0.2
121.10130	0.2
125.00010	22.9
134.37392	0.2
138.16548	0.1
149.09657	0.2
176.66150	0.2
184.07347	100.0
211.13297	0.2
230.08998	0.2
349.23547	0.2
402.19397	0.2
514.29285	1.3
532.30371	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02993	0.7
53.03944	2.7
55.01872	3.6
55.05505	2.4
57.03440	6.7
59.04989	0.8
61.02934	11.2
66.89780	0.6
67.05520	2.9
69.03436	30.9
69.07069	7.9
69.85555	2.7
70.06599	0.7
71.05004	4.3
73.02924	4.5
79.05495	4.3
81.03425	16.2
81.07065	5.5
83.01349	1.4
83.04955	1.1
83.08616	1.4
84.04494	0.6
85.02911	100.0
85.06527	0.6
87.04483	5.0
91.03971	5.5
91.05503	2.9
93.07047	5.3
95.04972	8.2
95.08610	5.8
97.02901	35.3
97.06533	5.1
97.10192	1.0
99.04472	6.7
101.02394	0.7
103.03962	1.2
105.01815	0.7
105.07042	4.7
107.04961	1.6
107.08605	5.9
108.52753	0.6
109.02891	9.9
109.06544	5.3
109.10173	2.6
111.11843	0.6
113.06039	1.1
115.03955	0.8
117.07042	0.7
119.08587	5.2
121.06532	3.5
121.10138	4.0
122.07294	3.4
123.04424	1.2
123.08078	20.6
123.08973	1.2
123.11763	1.4
127.03925	27.5
129.07036	0.7
131.08572	1.5
133.10132	5.1
135.08066	28.6
135.11699	3.9
136.33331	0.6
137.02345	1.4
137.09613	2.0
139.11125	0.6
145.04974	43.7
145.10133	1.7
147.04376	0.6
147.08038	0.9
147.11684	4.1
149.09633	1.9
149.13220	1.0
157.10182	0.7
159.11769	1.1
161.06036	0.7
161.09552	0.8
161.13210	0.7
163.06017	6.2
163.14874	1.7
165.12767	20.2
165.37360	0.5
171.06514	1.9
171.11783	0.7
173.13292	1.8
175.11241	0.8
175.14839	4.5
176.11971	4.1
176.35226	0.5
177.12732	0.9
184.07382	0.7
185.13266	0.7
189.07613	3.4
191.14322	84.2
193.15895	12.8
207.13860	3.9
209.15376	17.0
217.12283	1.9
280.05911	0.6
309.17026	0.8
353.19482	2.9
371.20630	12.4
515.24976	0.8
533.26074	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	533.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55603	2.1
53.03942	5.5
55.01879	2.2
55.05512	3.8
57.03426	3.6
61.53724	1.6
67.05497	5.6
69.03426	19.6
69.07065	4.7
70.06577	2.8
71.05006	6.3
71.51846	2.3
72.08154	11.1
79.05484	3.9
81.03426	16.2
81.07060	9.1
83.04995	2.5
85.02911	78.1
85.06558	3.0
86.09718	7.5
91.05493	3.5
93.07055	12.7
95.04967	7.8
95.08583	4.5
97.02897	12.7
97.06551	5.9
99.04462	44.0
103.03947	94.4
105.07049	11.6
107.08615	15.7
108.55421	1.8
109.02878	17.4
109.06557	12.1
109.10169	7.6
119.08607	3.8
121.06544	2.7
121.10183	10.9
123.08074	4.0
127.03929	100.0
131.08565	6.6
133.10136	25.1
135.08087	3.4
135.11681	2.1
137.09612	7.8
145.04974	54.1
145.10132	6.9
147.11707	8.7
149.09645	3.3
149.13193	2.7
153.09088	3.6
163.03909	3.3
163.06032	53.4
163.11198	12.5
165.12782	3.4
167.10728	3.2
169.08621	7.2
169.45851	2.0
173.13304	8.0
175.14816	1.9
181.05017	2.2
181.12303	3.6
187.06027	7.8
191.10670	7.4
191.14296	20.0
193.04767	2.1
205.07076	2.8
209.11751	7.6
209.15366	20.7
227.12836	13.8
227.16376	10.3
271.08228	3.0
289.08984	3.3
307.10257	8.4
315.05511	2.5
315.10437	1.9
325.93152	2.0
395.19232	2.3
533.20721	3.6
535.61810	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	533.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.3
55.01869	1.3
55.05509	3.7
57.03432	3.6
57.07066	1.8
58.99845	1.0
59.05005	1.3
61.02929	1.1
67.05505	7.3
69.03431	9.0
69.07080	5.9
69.07399	1.5
69.27113	4.4
69.27550	4.4
69.30458	0.8
71.04987	4.5
73.02896	1.3
79.05508	7.9
81.03415	9.1
81.07052	13.6
83.04989	7.1
83.08601	2.8
85.02905	31.5
85.06540	6.6
86.09695	1.4
91.05486	7.0
93.07050	16.5
93.13229	1.1
95.04984	5.5
95.08604	17.0
97.02886	9.4
97.06541	4.7
99.04457	20.1
99.08099	12.5
100.78548	0.9
103.03943	35.6
105.07032	9.7
107.04969	5.5
107.07883	1.9
107.08598	30.9
109.02885	8.4
109.06520	9.8
109.10150	9.8
110.09710	1.7
111.04476	1.0
111.08092	5.5
117.07034	2.0
119.08578	6.8
121.06525	14.0
121.10144	25.7
123.08065	13.3
123.11677	2.1
125.05983	3.0
125.09628	5.6
127.03920	43.8
131.08556	10.4
133.10129	17.1
135.08078	11.9
135.11688	6.3
137.09625	5.5
139.11186	3.3
145.04965	24.4
145.06032	1.9
145.10144	4.2
147.11725	7.5
149.09627	52.0
149.13251	14.8
151.11182	15.9
153.09070	6.1
158.10887	1.4
160.03851	1.2
161.13358	1.3
161.53911	1.2
163.06035	18.7
163.11130	2.9
163.14836	22.8
166.08662	1.8
173.13274	17.5
179.14319	1.2
181.05026	1.8
187.05998	2.4
191.14316	62.7
205.07077	1.7
209.15373	100.0
227.12808	1.7
227.16344	2.5
244.72531	1.1
271.08212	1.6
285.07404	2.1
307.10242	3.4
368.09857	1.1
533.20007	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	534.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51615	0.1
55.05501	0.2
56.05027	0.6
57.67554	0.1
58.06364	0.2
58.06630	0.5
59.07389	0.2
60.08164	6.1
67.05496	0.4
68.01162	0.1
70.13320	0.5
71.07372	2.8
79.05473	0.3
81.07055	0.4
81.88589	0.1
86.09708	29.8
90.85416	0.1
91.05489	0.2
93.07056	0.2
95.08620	0.2
98.98454	2.2
104.10750	3.9
107.08585	0.1
125.00008	21.0
134.24236	0.1
143.00998	0.1
145.86266	0.1
156.74835	0.1
166.06366	0.1
173.30289	0.1
184.07344	100.0
185.07697	0.2
192.31992	0.1
344.57181	0.1
408.66690	0.1
516.30756	1.4
534.23700	0.2
534.31879	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.2
56.05025	1.3
57.40089	0.3
58.06603	1.4
59.07387	0.5
60.08165	17.6
65.21732	0.4
67.05518	1.8
67.06586	0.4
69.07079	0.8
69.31508	1.5
69.31924	1.3
70.06538	0.5
71.07376	8.0
79.05505	1.9
81.07053	1.8
86.09707	52.7
87.10032	0.4
91.05482	1.6
93.07063	1.7
95.04998	0.5
95.08607	0.9
98.98461	3.7
104.10745	96.5
105.07040	2.2
107.08581	0.7
117.07082	0.5
119.08586	0.9
120.57780	0.3
121.10169	0.5
125.00005	30.3
131.08612	0.6
133.10143	0.7
145.10127	0.4
147.11655	0.4
159.11693	0.4
163.01608	0.8
177.05374	0.4
184.07343	100.0
185.07681	1.2
186.07823	0.7
223.13310	0.5
258.11053	1.0
293.21237	0.6
321.08871	0.4
343.46393	0.4
498.29791	7.2
507.22644	0.4
516.30878	46.7
534.31232	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
56.05025	1.1
58.06607	1.7
60.08165	16.8
67.05499	1.4
69.07018	0.4
69.21239	1.8
69.21670	1.7
71.07376	6.3
71.08632	1.1
79.05481	1.2
81.07048	1.3
86.09709	50.6
91.05479	0.7
93.07052	1.3
95.08614	1.0
98.98470	3.9
99.08067	0.7
104.10748	100.0
104.70225	0.4
105.07044	0.5
107.08572	0.7
117.07066	0.3
119.08707	0.4
119.22385	0.4
120.24625	0.5
125.00009	27.2
163.01527	0.6
179.14333	1.1
184.07346	94.6
202.68857	0.4
258.10980	0.8
329.51315	0.3
351.25479	0.4
516.30829	6.4
534.31952	46.2
535.32904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
56.05025	0.7
57.03429	0.1
58.06623	0.5
59.07399	0.2
60.08163	7.7
66.70773	0.1
67.05496	0.5
70.06584	0.1
71.07377	3.7
71.26424	0.2
79.05489	0.3
81.07042	0.4
83.08624	0.1
86.09705	34.0
91.05479	0.2
93.07021	0.3
95.08613	0.3
98.97866	0.2
98.98464	3.1
104.10743	8.6
105.07007	0.1
108.48905	0.1
109.32362	0.1
125.00002	22.6
131.56760	0.1
144.60912	0.1
175.50473	0.1
179.14314	0.1
179.95598	0.1
184.07336	100.0
185.07587	0.1
221.33994	0.1
258.11081	0.4
516.23834	0.1
516.31012	1.7
534.31927	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	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82181	0.1
52.76670	0.1
53.77867	0.1
56.05036	0.4
58.06625	0.3
60.08169	6.1
61.91108	0.1
66.36873	0.1
66.72224	0.1
67.05508	0.3
70.76207	0.4
71.07380	3.0
74.05536	0.1
79.05498	0.3
81.07087	0.2
86.09712	29.8
87.10014	0.1
91.05485	0.3
93.07056	0.4
98.98480	2.5
104.10750	2.8
105.07040	0.2
107.08568	0.2
119.08581	0.2
125.00016	19.8
143.01051	0.3
184.07353	100.0
185.07663	0.2
269.59738	0.1
498.29565	0.6
516.30908	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	534.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
55.90168	0.1
56.05041	0.5
57.03453	0.2
58.06630	0.5
59.07397	0.1
60.08167	6.9
63.08999	0.1
67.05505	0.5
69.07086	0.2
69.76182	0.5
71.07377	2.8
79.05508	0.5
80.86617	0.1
81.03407	0.2
81.07059	0.4
82.98901	0.1
86.09708	30.2
91.05479	0.3
93.07054	0.4
95.04971	0.2
98.21483	0.2
98.98466	2.7
104.10742	2.9
105.07050	0.3
107.08595	0.3
109.10126	0.2
125.00009	20.9
125.99995	0.1
133.10141	0.2
149.14406	0.1
184.07347	100.0
185.07684	0.3
211.13359	0.2
258.11075	0.3
498.29907	0.7
516.30835	5.8
518.09595	0.1
534.32849	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	534.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.2
56.05040	0.6
56.35099	0.1
56.78401	0.1
57.03433	0.1
58.06328	0.2
58.06631	0.4
59.07392	0.1
60.08165	6.7
67.05505	0.6
69.02579	0.1
69.07063	0.4
70.06597	0.1
71.07380	2.8
76.05350	0.1
79.05490	0.1
81.07050	0.6
83.08610	0.2
85.06588	0.1
86.09709	29.8
93.07049	0.1
95.08607	0.4
98.98473	2.9
104.10746	2.5
107.08614	0.2
109.10190	0.2
125.00009	21.4
138.18008	0.1
143.01057	0.1
176.75615	0.1
184.07346	100.0
185.07690	0.1
190.94087	0.1
258.10941	0.1
339.27850	0.1
516.34540	1.1
534.35675	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	534.364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48054	1.5
53.03951	3.1
55.05515	19.7
57.03417	5.2
57.07073	9.9
61.02911	5.2
65.03929	2.4
67.05507	86.4
69.06736	1.8
69.07075	27.6
69.74841	1.5
69.75135	8.8
71.04981	1.9
71.08617	5.9
73.02901	2.5
78.08356	1.4
79.05496	24.2
81.03398	2.1
81.07058	100.0
83.04979	3.7
83.08627	21.7
85.02883	5.4
85.06519	3.6
85.10181	3.5
86.09679	2.9
87.04514	1.5
88.49433	1.3
89.06039	1.5
91.05490	17.8
93.07044	27.1
95.08608	83.5
97.02869	3.7
97.06542	8.0
97.10168	10.5
99.08120	3.4
104.10742	3.8
105.07031	12.6
107.08598	23.5
109.10155	38.9
111.08055	3.6
111.11710	3.1
113.09679	1.6
119.08559	13.2
121.10148	24.3
123.11705	20.2
125.09592	1.9
125.13276	2.6
127.03856	1.6
131.81551	1.4
133.10127	16.4
135.11687	12.4
137.13275	8.5
139.11153	2.5
141.12698	3.0
147.11688	10.8
149.13264	12.1
151.14809	6.2
151.21770	1.5
151.79089	1.5
155.14273	5.4
161.13261	14.1
163.14830	11.2
165.12729	1.5
165.16399	10.5
175.14844	10.2
177.16464	2.0
179.14209	1.7
179.17969	10.4
181.15770	1.8
184.07379	6.3
189.16399	5.6
197.69862	1.7
203.17935	2.2
227.20023	4.8
245.22661	67.9
263.23700	94.5
265.25366	1.8
281.24680	2.6
337.27386	48.7
344.57944	1.5
353.57074	1.5
355.28329	5.8
371.25864	3.0
389.26620	3.1
407.27908	5.4
431.29733	1.8
534.35181	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1084
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
52.17167	0.2
52.26051	0.2
53.03935	0.9
55.01860	0.7
57.03431	0.5
61.02907	0.3
62.45792	0.2
68.99782	1.2
69.03429	4.8
69.78246	0.2
70.69621	0.6
71.04977	0.6
73.02901	0.5
74.37220	0.2
81.03419	4.1
85.02904	5.8
87.00835	3.1
97.02896	6.0
99.04454	2.0
105.01876	1.2
107.04900	0.3
109.02888	2.6
111.00797	1.0
121.02853	2.9
127.03917	5.6
129.01833	0.4
133.02859	0.4
137.02338	0.4
145.04941	1.6
153.01811	3.4
157.06494	0.3
159.02876	1.0
165.01823	1.7
183.02902	0.8
185.05968	0.6
213.05515	1.0
225.12859	0.2
231.04750	1.3
241.04889	1.0
258.05167	1.3
258.96243	0.3
259.06091	0.3
287.05499	100.0
288.05859	0.5
535.21521	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1087
Annotation	2'-Hydroxygenistein 7-O-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.37218	0.1
51.02363	0.1
53.03949	1.6
55.01633	0.1
55.01876	1.5
57.03442	1.0
61.02933	1.0
67.01852	0.1
68.99799	1.3
69.03433	5.6
71.01341	0.2
71.04995	0.9
71.44035	0.2
73.02917	1.6
79.05486	0.1
81.03421	6.5
83.01321	0.2
83.04984	0.1
85.02909	10.0
87.00315	0.3
87.00835	5.0
91.03941	0.6
93.70285	0.1
97.02894	3.5
97.31516	0.1
99.03848	0.2
99.04456	2.6
103.03934	0.1
105.01202	0.2
105.01881	2.8
105.03391	0.2
107.04932	0.2
109.02886	5.6
111.00806	0.6
115.03938	0.2
117.01844	0.8
121.02868	2.2
125.02341	0.1
127.03921	8.6
129.01839	0.8
133.02846	0.5
133.55354	0.1
135.04434	0.1
137.02327	0.6
145.04967	2.9
145.06258	0.2
145.06470	0.1
147.02876	0.5
147.04407	0.4
153.01839	3.1
157.06421	0.6
159.02902	3.3
165.01836	1.5
171.04466	0.2
177.03952	0.2
183.02936	0.8
185.05989	0.4
189.05458	0.1
194.02066	0.1
197.05862	0.1
213.05530	1.1
220.49866	0.1
228.41847	0.1
229.04951	0.1
231.04655	0.9
231.06633	0.4
241.04912	0.7
258.05295	1.1
259.06003	0.5
269.04544	0.1
287.05502	100.0
288.05765	0.5
329.06558	0.3
535.21649	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.1
53.03950	1.3
55.01873	1.3
55.05529	0.2
56.39827	0.1
56.77103	0.1
57.03441	0.9
61.02933	0.8
68.99786	1.3
69.03434	5.7
70.06595	0.2
70.68956	0.1
70.69291	0.2
71.01365	0.1
71.04997	0.8
73.02921	1.3
78.96336	0.1
79.05477	0.2
81.03423	7.1
82.07333	0.1
83.01339	0.1
84.08141	0.1
85.02912	10.1
86.09698	0.3
87.00837	4.8
87.04445	0.1
91.03986	0.3
91.05473	0.1
93.07073	0.1
95.04968	0.2
95.38987	0.1
97.02898	3.4
99.04463	2.5
103.03944	0.2
105.01878	2.7
105.03383	0.4
107.04956	0.2
109.02885	6.1
111.00802	0.5
115.03957	0.2
117.01847	1.0
121.02873	2.2
127.03925	8.4
129.01871	0.8
133.02859	0.4
135.04393	0.1
137.02339	0.7
141.01804	0.1
145.04961	3.1
145.06261	0.2
145.06482	0.2
147.02933	0.6
147.04407	0.5
153.00597	0.1
153.01834	3.0
157.06493	0.2
159.02907	4.4
161.06052	0.1
165.00578	0.2
165.01857	1.5
165.29681	0.1
171.04425	0.2
183.02898	0.8
185.05998	0.4
201.55450	0.1
203.03448	0.2
213.05550	1.1
231.04674	0.9
231.06682	0.5
241.05003	0.6
258.05179	1.1
259.06033	0.2
261.67365	0.1
269.04370	0.2
287.05505	100.0
288.05725	0.6
303.37048	0.1
329.06592	0.4
535.22125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2155
Annotation	Thr Tyr His Asp
Peak:m/z	Relative Intensity
55.05517	1.1
59.04998	2.2
67.05502	1.0
69.03431	2.0
69.07057	0.7
69.38779	0.4
69.76098	0.9
69.76500	2.2
70.06594	1.2
79.05503	0.9
81.03426	1.1
81.07042	1.0
83.05002	0.5
84.04570	0.5
85.02904	1.6
86.09716	2.2
87.04494	0.6
89.06036	1.8
91.05460	0.7
93.07044	1.2
95.04958	1.0
95.08617	0.6
97.02891	1.3
97.06550	0.7
99.04455	1.1
103.03935	1.3
103.07578	1.6
104.07866	0.6
105.07069	1.0
107.08569	1.1
109.02882	1.1
109.06499	0.8
109.10146	1.4
111.08112	0.6
116.07125	0.5
119.08648	1.1
120.08113	1.4
121.10085	1.1
123.08067	0.7
127.03905	2.5
127.07616	0.5
131.08516	0.5
133.08594	1.1
133.10135	0.9
145.04976	1.3
145.10100	0.6
147.11685	0.5
163.06114	0.6
163.11168	0.6
181.04991	1.7
193.04906	0.7
207.11656	0.5
218.08168	1.2
267.09195	0.6
283.06396	0.5
287.05615	1.1
301.21652	0.7
323.26566	0.6
420.98538	0.5
517.23425	0.5
535.21545	100.0
536.22046	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	14.3
55.01861	8.1
55.05506	18.2
57.03428	8.5
57.07066	5.4
61.02924	7.7
65.03927	3.4
66.21020	1.9
67.05238	1.7
67.05514	20.3
68.67753	2.0
68.99777	8.5
69.03434	62.2
69.07072	26.1
70.17205	4.1
70.17607	4.1
71.01334	3.6
71.03108	1.8
71.04983	8.9
73.02900	8.7
75.39487	1.8
79.05494	15.3
79.33011	1.8
81.03421	67.0
81.07055	39.9
83.04964	5.6
83.08614	10.2
85.02907	80.7
86.21715	1.8
87.00828	36.3
91.05483	17.4
93.07053	35.7
95.04977	8.7
95.08610	57.7
97.02900	33.9
97.06528	7.5
97.10178	8.1
99.04460	23.3
99.08073	3.3
105.01871	18.0
105.07047	36.9
107.08599	44.8
109.02879	64.1
109.06515	3.7
109.09472	3.5
109.10165	46.5
111.04379	4.8
111.11681	1.9
112.61111	2.1
115.03891	2.7
117.01858	2.8
117.07018	7.4
119.08583	46.3
121.09324	3.3
121.10144	38.9
123.08068	3.1
123.11706	20.5
125.09638	2.9
127.03919	100.0
128.06221	2.5
129.01817	9.0
129.05499	2.2
129.07031	4.6
130.07759	2.9
131.08565	21.2
133.10126	39.3
135.08070	3.5
135.11694	23.5
137.09587	3.3
137.13249	7.0
139.11133	3.5
142.07782	5.5
143.08540	17.1
144.09323	3.4
145.04979	22.2
145.06117	3.1
145.10117	35.8
147.02893	7.9
147.04399	2.1
147.08044	3.3
147.11693	26.1
149.09680	2.9
149.13252	15.9
151.07538	2.2
151.11104	3.0
155.08540	2.5
156.09331	4.7
157.10124	23.7
158.10933	3.8
159.02924	16.8
159.11694	47.5
161.09615	3.3
161.13266	32.5
162.46239	2.2
163.03885	2.6
163.14827	25.8
169.10152	5.0
170.10944	2.0
171.11696	21.3
173.04491	9.5
173.13254	29.5
175.11217	2.8
175.14841	22.9
175.30836	1.9
177.12759	3.5
177.16396	14.4
183.11732	8.0
185.13239	18.8
187.14813	23.7
189.16341	22.3
191.14322	7.2
191.17894	10.7
195.11739	3.6
196.12622	2.6
197.13248	10.0
199.14812	23.0
201.03967	2.2
201.16374	16.4
203.14313	4.0
203.18063	2.6
205.15909	4.2
209.13268	3.1
211.14774	6.3
213.03847	11.7
213.16376	23.8
215.14331	3.1
215.17978	11.4
217.15872	2.1
217.19502	12.8
225.16356	5.8
226.17032	2.0
227.17984	9.8
229.15909	3.5
229.19574	12.4
231.05014	22.5
231.17343	2.7
239.17976	2.7
241.19524	7.1
243.21088	40.2
245.22537	3.6
249.06024	2.0
255.17433	2.2
255.21034	4.9
257.22614	4.5
259.24225	4.7
265.19492	3.0
267.21130	9.3
269.22641	93.6
271.24203	23.7
285.22104	7.9
287.05484	9.4
287.23694	54.7
297.22272	2.9
303.23346	4.1
305.24762	7.0
319.22601	2.6
329.24927	3.7
337.92932	2.3
377.24493	2.9
379.12961	2.1
395.25803	7.7
413.26831	2.5
481.26550	4.5
499.26779	9.2
517.28064	15.0
535.29120	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	535.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68067	2.3
53.03947	16.7
55.01854	8.1
55.05516	17.5
57.03425	9.7
57.07078	5.2
60.50163	2.6
61.02911	5.8
65.03928	3.6
67.05173	4.6
67.05500	41.1
67.66457	2.6
68.99798	4.2
69.03088	3.8
69.03435	67.0
69.07066	26.9
71.04119	2.5
71.04436	4.4
71.04997	12.6
73.02903	7.5
79.05493	24.3
81.02929	3.4
81.03415	62.0
81.06596	3.3
81.07059	68.3
83.04974	6.2
83.08614	8.4
85.02909	76.2
87.00832	31.6
91.05479	32.6
93.07044	44.6
95.04957	9.2
95.08601	53.3
97.02887	29.4
97.06526	14.0
97.10150	5.4
99.04454	31.7
103.03940	6.2
105.01863	21.1
105.07035	61.2
107.04959	7.9
107.08602	58.0
109.02879	44.3
109.06502	4.7
109.09491	3.1
109.10166	50.1
111.04432	8.4
111.08096	2.8
115.05475	4.3
117.01843	3.2
117.07033	11.5
119.08588	76.6
121.10140	53.5
123.08039	3.9
123.11710	47.3
125.09634	4.9
127.03924	100.0
128.06209	4.1
129.01796	4.1
129.07021	7.3
131.08591	24.5
133.10141	38.2
135.08040	3.3
135.11705	19.9
137.13295	3.3
139.11212	5.8
142.07841	3.4
143.08556	16.3
145.02837	3.1
145.04974	21.4
145.10139	33.9
147.02870	3.2
147.11691	59.4
149.02316	3.6
149.09659	3.6
149.13272	49.0
151.14709	2.6
155.08551	8.6
156.09415	3.5
157.10149	18.8
159.02875	15.1
159.11719	37.7
161.13257	91.4
163.06053	3.9
163.14828	53.0
169.10130	8.3
170.10963	4.3
171.11705	15.7
173.13239	22.5
175.14848	16.6
177.05542	3.3
177.16376	3.4
179.14352	12.1
182.10869	3.0
183.11728	7.7
184.07285	4.1
185.09676	3.2
185.13300	16.0
187.06071	3.4
187.14813	14.4
189.03929	4.5
189.12680	3.5
189.16373	7.1
191.14455	3.6
197.13306	3.9
199.14854	20.5
201.16382	8.9
203.14282	5.0
203.17920	2.7
209.13217	5.0
211.14885	6.5
213.03905	11.9
213.16319	14.6
215.18059	4.0
216.25186	3.0
217.15891	3.0
225.16399	2.9
227.17915	10.2
229.19508	8.8
231.05011	80.2
241.19507	5.7
243.21080	5.1
256.54306	3.3
259.24207	3.1
267.21054	6.7
269.22653	65.0
271.24225	22.0
281.22617	2.6
285.22183	8.8
287.05447	7.3
287.23700	86.1
299.23566	5.1
311.23709	3.8
315.23114	11.2
329.24689	3.5
341.25034	3.5
359.25845	3.2
374.69150	3.5
395.25662	5.9
400.03964	2.6
413.26529	3.6
431.27109	2.7
481.25607	4.5
499.26883	14.6
517.28412	15.2
535.28754	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96642	1.3
53.03947	12.4
55.01875	5.1
55.05515	15.2
57.03430	8.2
57.07083	3.1
61.02925	3.0
65.03938	2.9
67.05505	26.7
67.86073	1.4
68.99796	5.9
69.03436	68.0
69.07072	26.5
69.91933	7.4
71.05002	11.1
73.02926	5.0
77.82679	1.5
79.05498	16.2
81.03422	55.8
81.07062	49.1
83.04993	2.8
83.08610	9.7
85.02908	63.5
86.09653	1.8
87.00840	29.6
91.03954	1.7
91.05491	22.3
93.07055	35.2
95.04955	6.9
95.08614	44.0
97.02895	22.0
97.06517	8.1
97.10161	7.2
99.04472	28.1
103.03941	3.0
105.01852	12.8
105.04537	1.7
105.07040	48.7
107.04958	5.0
107.08604	43.1
109.02883	47.3
109.06516	4.3
109.10160	40.3
111.04465	7.2
111.11734	8.8
115.05467	2.2
117.01811	2.7
117.07000	9.8
119.08588	49.1
121.10163	32.9
123.04441	3.9
123.08084	3.1
123.11716	31.3
125.09633	2.8
125.13290	1.6
127.03922	100.0
128.06212	2.9
129.01849	5.6
129.07040	5.2
131.08586	22.8
133.10130	26.2
135.11682	14.7
137.09634	3.0
137.13292	3.4
139.11218	4.0
142.07851	3.7
143.08563	17.4
145.04980	13.5
145.10121	27.2
147.02922	3.4
147.08049	2.7
147.11696	41.7
147.12817	3.0
149.13275	30.2
151.11247	2.6
155.08568	4.3
156.09398	2.6
157.10132	13.1
158.10934	1.8
159.02898	11.0
159.11705	36.9
161.09686	2.8
161.13261	52.1
163.14833	39.7
165.12750	4.3
169.10175	3.5
171.02803	2.5
171.11687	15.7
173.09541	2.3
173.13283	21.0
175.11240	1.9
175.14815	18.3
177.12769	3.2
177.16431	4.2
179.14346	6.9
181.10107	2.3
183.11679	4.4
184.12440	2.3
185.13269	15.1
187.05974	2.7
187.11320	1.8
187.14854	23.2
189.12781	2.8
189.16362	9.5
191.14343	4.4
197.13254	5.6
199.14857	20.1
201.04007	1.6
201.16435	7.7
203.14296	3.0
205.15999	2.6
207.11754	1.8
211.14832	3.4
213.03967	7.0
213.12917	1.8
213.16402	19.4
215.18004	3.6
217.15860	3.5
225.16434	3.8
227.14394	2.0
227.17981	6.6
229.19513	6.2
231.05023	53.8
239.14284	2.4
239.18030	2.8
241.19545	5.5
243.21217	9.7
255.21083	3.1
257.22495	1.8
267.21118	5.8
269.22662	75.7
271.24246	17.2
285.22144	7.3
287.23697	58.1
287.26938	3.1
297.22250	2.1
299.23831	2.5
311.23709	1.7
315.23196	5.7
329.24823	3.2
377.24808	5.3
395.25861	6.0
413.26706	2.6
481.26080	2.6
499.26636	9.7
517.27924	12.1
524.10889	1.8
535.29089	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	535.4152
Annotation	Toxicol B
Peak:m/z	Relative Intensity
53.03928	1.3
55.01892	0.5
55.05271	0.8
55.05516	10.9
57.03420	1.1
57.07062	1.8
59.04993	0.7
65.03931	1.1
67.05506	21.8
69.07069	8.8
71.04984	1.2
71.53720	0.7
79.05495	8.5
81.06586	1.0
81.07057	17.5
83.04984	0.5
83.08612	6.1
85.06545	1.2
91.05491	5.0
93.07035	8.3
95.08608	16.6
97.06541	1.6
97.10168	3.0
105.07036	6.0
107.08594	5.9
109.10155	9.1
109.50396	0.5
111.08054	0.7
115.05391	0.6
117.07019	3.1
119.08600	6.9
121.10152	4.1
123.08112	0.6
123.11722	2.2
125.09657	1.1
128.06247	1.3
129.07019	5.1
131.08562	7.2
133.10129	5.7
135.11670	2.9
137.13245	0.9
141.06984	5.9
142.07785	1.6
143.08559	8.4
145.09055	0.8
145.10136	8.3
147.11703	2.9
149.13280	1.1
153.07025	1.7
154.07790	1.9
155.08560	15.4
156.09344	1.4
157.10150	9.8
159.11691	6.5
161.13300	1.4
163.11234	0.5
163.14761	0.7
165.07028	1.3
166.07777	1.3
167.08578	7.7
168.09323	2.3
169.10130	19.4
170.10829	0.7
171.11691	8.4
173.13225	3.7
175.14825	1.1
179.08566	2.7
179.09912	0.6
180.09349	1.6
181.10135	14.1
182.10950	1.6
182.95006	0.4
183.11707	20.6
184.07381	0.5
185.13239	7.2
187.14851	1.6
189.16476	1.1
190.85591	0.4
191.08568	0.6
193.10127	4.1
194.10904	1.4
195.11693	13.7
196.12491	1.3
197.13254	14.4
199.14827	3.2
201.16383	1.3
205.10229	0.9
207.11685	5.5
208.12331	0.6
209.13263	12.9
210.14107	1.4
211.14833	9.9
213.16315	2.3
219.11816	1.2
221.13274	4.1
222.14110	0.7
223.14827	10.8
224.15675	1.0
225.16368	9.3
225.18509	0.8
227.17934	1.3
233.13300	1.8
235.14835	3.6
237.16370	6.8
237.18590	0.7
239.17952	5.3
241.19597	0.8
247.14857	1.5
249.16360	3.3
251.17931	4.5
251.20219	0.6
253.19485	3.8
261.16400	0.8
263.17932	1.6
265.19586	1.4
267.21091	1.9
271.20648	0.7
275.17929	1.0
277.19519	1.4
279.17490	0.7
279.21124	1.6
281.19168	0.6
281.22711	1.4
283.17200	0.6
283.20346	0.9
289.19434	0.7
291.21085	0.6
293.19095	1.1
293.22519	1.2
295.20691	1.0
297.18707	1.1
297.22141	1.2
299.20322	0.8
303.20972	0.9
305.22644	1.3
307.20544	1.8
309.22189	0.9
311.20151	1.3
313.21600	0.8
321.22153	3.8
323.23718	1.7
325.21671	1.3
333.22144	1.0
333.79950	0.5
335.23514	2.6
337.25244	1.0
339.23276	2.7
347.23846	0.6
349.24966	2.7
351.23141	0.7
351.26767	2.3
353.24820	1.4
361.25198	0.7
363.26797	2.8
365.28455	2.2
367.26221	1.8
375.26715	0.7
377.28473	1.2
379.30035	1.2
381.27856	1.5
389.32681	0.5
391.30099	1.3
393.31583	1.5
395.29654	1.0
403.29916	1.0
405.31912	1.2
409.31308	3.2
421.31479	0.7
423.32626	1.8
429.31531	1.2
433.31079	1.4
435.32742	0.9
439.32278	0.7
447.32605	5.3
449.34128	1.0
461.34146	1.8
475.35178	0.9
479.35477	0.7
481.38574	0.7
489.41397	0.6
499.39420	7.3
517.40424	61.8
518.40839	0.8
535.28485	3.4
535.41486	100.0
536.41486	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.3
56.05035	0.7
57.07065	0.2
58.06614	0.5
60.08167	5.9
67.05509	0.9
69.07076	0.3
71.07375	2.5
79.05501	0.7
81.07064	1.1
86.09708	28.9
91.28403	0.2
93.07043	0.8
95.08609	0.4
97.06517	0.4
98.98461	2.7
104.10740	5.1
105.07017	0.3
107.04951	0.3
107.08580	0.3
109.10225	0.3
119.08598	0.3
125.00009	20.0
134.76471	0.2
134.96346	0.2
145.36119	0.2
147.11716	0.2
151.06549	0.2
167.05531	0.3
184.07344	100.0
185.07701	0.3
258.10968	0.3
299.06229	0.7
311.65506	0.2
351.25272	0.4
414.10217	0.2
415.03726	0.3
500.31250	0.6
518.32465	8.2
536.28052	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74716	0.2
56.05044	0.4
57.07063	0.2
58.06609	0.4
60.08168	6.1
67.05505	0.5
68.13461	0.2
69.68256	1.1
70.46338	0.1
71.07381	3.3
79.05508	0.3
80.37653	0.2
81.07056	0.5
86.09708	28.0
89.30540	0.2
93.07050	0.3
95.08635	0.4
98.98462	3.0
104.10749	2.7
125.00011	20.4
144.84195	0.2
166.06393	0.2
184.07347	100.0
185.07692	0.3
237.05937	0.2
268.27869	0.2
380.82910	0.2
393.93594	0.2
500.31482	0.8
518.32477	7.9
529.69843	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	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45494	0.4
55.05484	0.5
56.05034	0.7
58.06588	0.8
60.07898	0.7
60.08169	11.8
67.05513	2.1
69.83125	1.0
69.83513	1.0
71.07375	4.1
71.08613	0.6
76.97127	0.4
79.05478	1.4
81.07057	2.6
86.09710	41.6
87.09982	0.6
91.05491	0.9
93.07036	1.8
95.08621	1.1
96.08327	0.4
98.21429	0.7
98.98486	2.6
99.08096	0.6
104.10749	44.4
107.08617	0.7
109.10165	0.6
121.01814	0.4
121.10094	0.4
125.00011	22.2
131.08536	0.4
135.11621	0.5
149.15665	0.4
163.01602	0.5
174.18024	0.4
179.14333	1.1
184.07349	100.0
185.07671	1.7
186.07823	1.5
277.21634	0.8
283.02945	0.5
351.25345	3.2
406.44693	0.5
472.31808	0.5
500.31488	4.4
518.32483	29.0
519.32996	0.6
536.32587	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01155	0.1
55.05497	0.1
56.05035	0.7
57.07045	0.1
58.06626	0.4
60.08164	6.8
67.05490	0.4
69.07061	0.3
69.82276	0.2
69.82685	0.4
70.06602	0.1
71.06987	0.1
71.07377	3.0
71.08617	0.1
76.58712	0.1
79.05483	0.2
80.02233	0.1
81.07044	0.4
82.89603	0.1
84.00607	0.1
86.09705	30.9
91.05468	0.1
93.07031	0.2
95.08582	0.3
97.06511	0.1
98.98461	2.8
104.10052	0.2
104.10740	4.2
105.07028	0.1
107.08588	0.2
115.45700	0.1
125.00004	21.2
127.77792	0.1
143.01073	0.2
184.07338	100.0
185.07518	0.2
258.10928	0.2
299.05820	0.1
351.25345	0.2
518.32465	1.5
536.33582	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	536.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56317	0.3
55.05503	0.7
56.05032	1.1
56.29819	0.3
58.06339	0.3
58.06607	1.1
58.20427	0.2
58.24852	0.2
60.08168	12.4
67.05501	1.8
69.07061	0.7
69.88109	1.1
71.07378	5.0
79.05505	0.8
81.03423	0.3
81.07064	1.6
83.04980	0.3
83.06074	0.3
86.09712	42.5
93.07068	1.0
95.08614	0.9
96.82096	0.3
98.73931	0.3
98.98465	4.0
104.10751	58.9
107.08575	0.5
109.10172	0.7
125.00012	25.9
163.01604	0.4
167.05539	0.4
173.13206	0.3
184.07353	100.0
258.11084	0.6
277.21600	0.4
299.06308	0.9
351.25668	0.5
488.86865	0.3
500.31595	0.5
518.32391	7.2
536.33630	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	536.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
56.05048	0.5
57.07071	0.2
58.06364	0.1
58.06626	0.4
60.08169	5.3
66.92239	0.1
67.05512	0.3
69.07073	0.4
70.96884	0.2
71.07384	2.4
71.40489	0.1
78.07541	0.2
79.05498	0.2
81.07045	0.2
83.08607	0.2
86.09714	28.2
90.35594	0.1
90.72104	0.1
93.07069	0.2
95.08617	0.2
98.98469	2.8
104.10759	3.0
107.08611	0.2
121.10191	0.2
123.53802	0.1
125.00017	20.4
132.99332	0.2
162.65659	0.1
167.05577	0.2
169.95399	0.1
184.07355	100.0
219.17552	0.2
258.11069	0.2
299.06226	0.4
338.48621	0.1
410.87085	0.1
467.35309	0.1
518.36060	1.3
536.37286	3.6
536.45361	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	536.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49795	1.4
53.03944	1.9
55.05518	24.8
57.03451	6.8
57.07081	15.6
60.08175	13.4
61.02924	5.7
65.59426	1.3
67.05511	35.0
69.07077	45.0
71.05003	2.8
71.07365	4.7
71.08643	9.4
73.02929	1.3
73.04775	1.6
79.05496	14.4
81.07066	41.1
83.08147	2.5
83.08622	35.2
85.02921	3.8
85.06555	2.8
85.10184	5.3
86.09712	42.1
91.03940	1.5
91.05437	2.6
93.07051	23.2
95.08618	42.9
97.02880	1.8
97.06535	8.9
97.07072	1.4
97.10183	20.4
98.05952	1.3
98.98471	3.7
99.08060	2.1
104.10752	53.9
105.07013	1.6
107.08609	16.1
109.10163	20.6
111.08089	4.3
111.11743	8.6
113.09665	1.2
121.10154	37.2
123.11708	6.6
125.00015	25.1
125.09657	2.4
125.13313	2.9
135.11694	28.7
137.13260	2.9
139.11183	3.3
149.13269	11.2
151.14827	3.6
153.12764	2.5
163.14847	5.0
165.16391	2.7
177.16379	2.2
184.07361	100.0
191.18011	2.1
208.94569	1.3
219.09261	1.5
247.24214	33.1
265.25302	79.4
283.26288	17.5
299.06055	3.3
339.28983	82.3
357.30014	29.3
493.32532	2.3
501.34512	1.7
518.35840	5.8
536.37219	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	536.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	38.7
57.03431	7.8
57.07079	23.0
60.78304	3.3
61.02922	5.6
63.57448	3.8
64.17187	3.4
67.05511	40.3
69.07071	56.0
69.16881	8.5
69.17296	30.4
71.08618	14.7
73.02934	5.0
73.04751	3.7
79.05479	15.3
81.03407	4.7
81.07061	51.3
83.08622	43.9
85.02890	9.1
85.10181	6.8
86.09695	7.2
88.07634	4.6
93.07040	27.6
95.08612	53.3
95.42545	3.5
97.06534	7.7
97.07271	3.5
97.10175	29.3
98.20735	8.2
104.10728	12.1
107.08604	19.6
109.10178	21.4
111.08071	13.9
111.11713	7.0
121.10154	42.8
123.11689	7.6
135.11713	32.9
137.13228	6.3
140.26843	3.8
149.13228	16.3
151.14813	6.4
163.14822	4.0
163.36745	3.5
165.16382	8.9
167.05644	6.6
184.07307	21.9
184.11240	3.7
221.03459	3.8
221.77711	3.9
234.55939	3.9
236.35489	3.3
246.43494	3.8
247.24226	41.8
265.25290	100.0
283.26364	17.4
299.06122	10.4
339.28937	77.5
357.29953	42.6
393.43085	3.9
508.33118	4.1
536.36768	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	537.3033
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
56.96555	0.4
81.07032	0.3
86.09715	0.8
98.97589	0.6
104.10763	0.3
108.08165	0.3
110.22683	0.2
131.00226	0.3
184.07339	1.6
203.05374	0.6
238.29581	0.3
259.08011	0.4
536.80328	1.1
537.30389	100.0
538.30768	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	537.3274
Annotation	glas#24
Peak:m/z	Relative Intensity
53.03938	5.4
55.01875	3.7
55.05511	28.2
55.90124	2.5
56.02643	2.4
57.03444	3.9
57.07066	5.6
63.29435	2.7
67.05186	2.9
67.05505	31.2
67.07726	2.4
69.03419	10.0
69.06727	3.9
69.07072	47.6
69.73110	2.9
71.04995	11.3
71.08636	2.6
78.39793	2.8
79.05503	19.5
81.03417	7.4
81.06595	5.4
81.07063	100.0
83.04984	13.6
83.08616	9.2
85.02910	9.7
85.06533	5.9
91.05473	17.5
93.07055	58.7
95.04970	28.4
95.08614	64.9
97.06537	14.4
97.10155	23.0
98.21540	5.2
99.04501	3.0
99.08092	3.5
105.07036	37.2
107.08582	39.1
109.02848	3.7
109.06524	11.6
109.10165	47.5
111.08077	9.2
111.11723	8.3
113.06001	2.7
117.07027	4.9
119.08601	26.3
121.06502	5.5
121.10156	56.1
123.04408	3.7
123.08070	6.0
123.11708	55.7
125.06017	7.3
125.09633	6.2
127.03934	5.2
131.08586	6.8
133.10139	17.9
135.08049	3.3
135.10727	3.6
135.11710	39.5
137.09650	3.8
137.13246	10.8
139.11198	18.8
141.12749	7.3
143.10626	2.9
145.10136	15.0
147.11691	30.2
149.09628	4.8
149.13272	5.7
151.11208	7.7
151.14864	3.4
152.23657	3.0
153.12752	19.4
157.10089	2.7
157.12273	17.6
157.13428	3.1
159.11700	13.2
161.13268	13.2
163.03885	2.8
163.11183	9.8
163.14833	5.0
165.12727	7.9
169.12251	5.0
171.13826	12.6
173.13231	5.6
175.14861	8.0
177.12784	5.2
177.16382	3.1
179.14291	3.7
181.12195	4.4
181.15578	2.7
185.13242	3.3
187.13304	14.9
187.14774	4.8
191.14436	3.8
198.15053	3.2
201.16479	3.4
203.12766	7.7
203.18008	3.3
251.16750	2.9
257.22641	6.0
257.79382	2.8
267.21115	3.1
275.23639	18.7
285.22055	7.8
291.23099	8.9
293.24710	16.2
303.23212	97.2
309.24329	16.1
321.24255	58.5
339.25412	19.6
446.63214	3.1
450.62415	2.8
537.26862	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01870	2.0
55.05516	12.1
57.07065	2.8
65.03929	1.7
67.05184	1.5
67.05510	21.6
67.51598	1.0
69.03422	1.3
69.07072	12.0
70.97827	2.1
71.05000	1.8
71.76326	0.9
76.26466	0.8
78.04445	0.9
79.05499	43.9
81.03437	1.5
81.06607	1.1
81.07063	22.0
82.07368	1.0
82.98959	0.9
83.04963	1.6
83.08630	5.7
85.06549	1.1
86.09695	1.2
91.05483	17.7
93.07051	61.4
95.04978	2.4
95.08611	16.6
97.06542	2.4
97.10165	3.8
105.04485	1.4
105.07030	10.9
107.08599	32.7
109.06554	1.4
109.10168	10.0
111.04412	1.1
117.06987	3.4
119.08583	8.2
121.10155	30.1
121.11039	1.7
123.11677	2.3
125.09634	2.5
127.07578	1.0
131.08565	3.4
133.10153	9.3
135.08113	1.2
135.11710	29.7
143.08611	2.0
145.10106	3.8
147.11688	5.3
149.09596	1.2
149.13277	14.3
159.11708	2.8
161.13284	2.4
163.11191	3.8
163.14845	1.9
171.11743	2.1
173.13283	2.3
175.14783	1.8
181.12245	2.4
181.46921	1.1
184.07381	3.9
185.07579	1.2
185.13226	2.0
191.10744	2.2
193.15866	1.4
195.13762	2.2
199.14815	1.6
207.13736	1.3
209.11679	1.4
213.16354	1.6
214.15013	1.0
221.15356	3.0
227.12787	13.1
231.17393	1.5
235.16946	1.7
237.44485	1.0
241.19485	2.1
245.13722	1.0
259.20572	4.3
277.21646	100.0
313.27423	1.8
325.41714	1.2
393.76990	1.2
538.38354	5.5
551.76947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2656
Annotation	Okaramine O
Peak:m/z	Relative Intensity
55.05511	0.7
57.03434	0.4
57.07076	1.5
63.21355	0.2
67.05500	1.5
69.07066	0.7
69.20689	0.3
69.21037	2.1
71.05020	0.3
71.08637	1.0
73.30863	0.2
79.05495	1.4
81.07059	1.9
83.04999	0.4
83.08624	0.7
85.10195	0.6
91.05477	0.6
93.07063	1.6
95.05006	0.3
95.08606	2.0
97.06509	0.2
97.10169	0.3
98.21587	0.3
105.07017	0.4
107.04985	0.4
107.08604	0.9
109.10149	0.6
117.07022	0.4
119.08531	0.3
121.10149	0.7
123.11648	0.3
133.10194	0.3
135.11697	1.4
136.10995	0.2
145.10139	0.8
163.11211	2.0
181.12242	0.5
208.10074	0.2
209.22382	0.2
227.12787	3.7
235.12323	0.3
245.13904	0.3
283.15408	2.1
313.27332	3.5
363.15906	1.0
363.47546	0.2
374.16989	0.3
376.16528	0.3
377.17697	1.9
378.18402	2.5
379.19226	1.8
391.19290	2.4
392.19943	3.3
393.20740	8.9
394.21689	0.5
405.20724	1.0
406.21506	1.6
407.22330	9.3
419.18637	0.5
420.23367	0.3
421.17502	0.4
421.23901	5.2
421.29568	0.3
422.17514	1.6
422.24554	0.4
423.18137	2.6
433.20148	1.0
435.18152	0.5
436.19016	1.8
437.19788	8.3
438.20511	1.0
447.21838	0.4
448.22684	0.8
450.20544	0.5
451.21304	15.5
452.21625	0.3
460.23120	0.3
462.24112	0.2
465.22946	2.2
466.23642	2.0
467.24286	0.3
477.26694	2.5
479.24634	1.0
494.26895	0.6
495.20401	0.7
495.27469	5.8
503.24493	1.7
509.21924	0.6
510.22665	3.6
511.23950	0.4
521.25696	1.9
521.38385	2.2
524.24280	0.9
539.26556	100.0
540.26855	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.01865	3.8
55.05511	22.2
57.03434	3.8
57.07066	8.3
61.41657	2.6
63.56790	3.0
67.05514	28.6
69.03458	17.4
69.07074	38.7
69.32150	14.0
69.32573	11.4
70.06586	22.2
71.05003	9.2
73.02925	3.2
79.05488	17.1
81.03439	22.6
81.07065	100.0
83.04985	4.2
83.08618	11.1
85.02921	13.4
85.06554	15.2
87.04459	3.0
91.05482	18.2
93.07054	42.8
95.04968	7.8
95.08618	81.7
97.02904	12.3
97.06544	15.6
97.10162	21.7
99.04465	6.9
100.11285	5.1
105.07041	22.0
106.29191	3.3
107.04989	3.4
107.08608	45.8
109.02898	20.1
109.06556	5.3
109.10168	37.3
111.04443	5.2
111.08099	11.5
111.11742	7.6
117.06998	3.6
119.08585	19.6
120.08137	7.0
121.06454	4.1
121.10150	31.8
123.08105	6.1
123.11720	57.2
125.09644	4.6
127.03916	21.3
129.06961	3.4
131.08612	5.4
133.10152	16.1
135.08090	6.2
135.11700	18.5
137.09625	7.1
137.13293	15.6
139.03899	4.1
139.11201	13.7
141.12708	5.3
143.08560	4.7
145.10170	9.2
147.08134	5.0
147.11749	13.7
149.09651	6.6
149.13258	27.3
151.11186	5.8
151.14725	3.4
153.12733	7.2
157.10196	5.3
157.12265	8.8
159.11726	10.4
161.09604	7.3
161.13298	7.8
163.03903	7.3
163.11183	3.5
163.14832	9.9
165.09044	3.8
167.14314	3.8
171.11699	4.9
173.13312	5.3
175.11221	3.5
179.10686	3.5
185.09636	3.9
187.13318	8.6
189.12804	4.7
253.06558	3.3
263.13947	10.7
273.18655	4.3
277.25204	3.6
287.23691	4.0
291.19540	10.1
293.24890	8.6
303.23172	6.6
305.24765	24.7
311.25784	4.5
313.16467	10.6
323.25977	15.2
331.17545	3.8
347.09512	4.7
401.26996	3.6
413.26956	6.3
431.28027	16.1
437.28821	8.8
449.28998	29.0
455.29901	9.3
467.30042	19.7
539.24860	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	539.3429
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.40434	1.6
55.01863	3.1
55.05509	18.7
56.93710	1.8
57.07065	5.8
67.05505	25.6
69.03419	5.4
69.06734	2.9
69.07072	38.2
69.72723	11.3
71.04977	4.3
79.05476	13.9
81.03429	3.4
81.07059	100.0
83.04980	4.7
83.08631	12.3
85.02912	5.3
85.06532	10.3
91.05479	6.1
93.07047	35.6
95.04974	3.6
95.08611	71.8
97.06539	9.3
97.10169	25.5
99.08097	2.9
105.07022	9.4
107.04947	1.8
107.08592	39.5
109.10161	31.3
111.08080	15.3
111.11729	11.3
116.63425	1.8
119.08569	9.0
121.10145	28.0
123.10835	3.8
123.11710	68.3
125.09632	2.4
127.03908	2.4
129.65944	2.0
133.10117	7.7
135.11671	15.4
137.09636	2.8
137.13255	25.5
139.11211	21.8
141.12732	6.0
145.10159	2.1
147.11678	8.8
149.12061	2.3
149.13264	45.5
149.25665	2.2
151.11217	2.3
153.12737	5.4
154.98187	1.8
155.14294	5.4
157.12238	20.5
159.11691	3.7
161.13205	3.2
163.14796	7.0
165.12729	3.0
169.12248	7.6
171.13806	3.0
175.14870	3.4
177.16406	2.4
185.15282	2.2
187.13307	20.4
189.16377	3.1
203.12749	10.6
235.20644	3.1
237.47913	1.9
240.27676	2.1
249.18526	2.8
277.25385	5.9
287.23651	6.7
293.24719	16.7
305.24728	79.1
311.25748	6.1
323.25803	51.5
329.26746	3.6
341.26886	5.2
359.27817	14.2
539.27051	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	539.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
53.78954	1.0
55.01871	2.4
55.05317	1.1
55.05518	13.8
57.03449	10.6
57.07083	35.9
67.05183	1.7
67.05513	25.1
69.07076	11.3
70.08494	1.5
70.08831	5.0
71.04989	3.8
71.08293	2.0
71.08640	25.8
76.80568	1.2
79.05500	23.5
81.03442	2.5
81.07061	25.0
83.04993	3.7
83.08631	15.7
84.78248	1.3
85.10197	12.3
89.06026	1.6
91.05485	7.8
93.06491	2.0
93.07054	32.5
95.05016	6.0
95.08617	49.4
97.02896	3.5
97.06513	3.7
97.10157	4.8
99.04487	3.1
105.07059	8.3
107.04951	8.2
107.08610	27.7
107.40510	1.3
109.06473	1.9
109.10172	8.8
111.08131	1.4
111.11674	1.3
117.07021	8.3
119.08591	8.0
121.06509	6.0
121.10168	9.0
121.58368	1.2
123.11701	3.8
125.06049	1.5
130.07751	2.3
133.10077	2.8
135.08139	1.5
135.11699	46.0
137.13255	1.2
143.08534	1.5
145.10135	27.2
163.11205	55.3
181.12239	9.7
209.11671	2.8
227.12805	100.0
239.23721	2.7
257.24750	1.8
283.15433	56.8
313.27393	97.0
521.38440	66.7
555.56201	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
55.01867	3.6
55.05514	17.7
57.03446	9.2
57.07080	22.1
65.03935	1.8
66.83817	1.5
67.05509	34.1
69.07083	12.6
69.26619	14.8
71.04973	2.9
71.08634	11.7
79.05490	27.8
81.03421	2.2
81.07059	35.1
83.04990	4.8
83.08620	12.1
85.06522	2.6
85.10185	8.4
91.05483	25.7
93.07040	33.7
95.04966	7.3
95.08607	41.7
97.02884	3.1
97.06513	3.9
97.10153	5.2
101.26884	1.7
105.04541	1.6
105.07034	25.0
107.04972	5.1
107.08604	23.7
109.06539	2.8
109.10172	9.0
109.17236	1.4
114.46313	1.6
117.07035	13.0
117.78761	1.6
119.08578	18.7
121.06538	3.8
121.10162	10.2
123.11686	2.3
125.09644	2.2
128.06245	3.3
129.07008	9.5
130.07834	2.3
131.08572	11.3
133.10135	9.9
135.08089	1.8
135.11703	23.4
137.09625	1.9
141.07011	4.4
143.08572	11.8
145.10121	22.8
147.11652	8.3
155.08574	14.4
157.10097	7.8
159.11716	6.8
161.13278	5.1
163.11189	30.9
163.12523	1.9
165.07219	1.7
167.08592	7.1
168.09314	1.6
169.10135	12.1
171.11679	11.5
173.13307	4.7
179.08473	2.1
180.09424	2.1
181.10164	9.1
181.12251	5.5
183.11719	12.5
185.13254	9.0
193.10156	2.3
195.11679	9.4
197.13292	7.1
199.14891	3.4
207.11678	4.3
207.13684	2.6
209.11618	2.3
209.13339	5.3
211.14861	4.8
213.16451	2.7
219.11606	2.5
221.13330	3.0
222.06943	1.7
223.14888	4.5
227.12775	55.5
227.14946	3.1
233.13344	2.2
233.37251	1.7
237.16457	1.9
239.23645	1.7
249.16458	1.6
259.20551	3.4
283.15363	31.0
309.22220	2.1
313.27386	51.2
315.23233	2.7
321.22229	3.3
335.23654	2.0
363.27158	1.6
418.23904	1.8
429.31458	6.1
447.32675	16.8
447.96112	1.6
465.33685	6.2
483.34781	4.8
503.34854	2.5
521.38269	40.3
539.37329	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.01878	3.9
55.05513	15.8
57.03448	12.2
57.07079	44.5
57.12631	1.1
57.59063	1.1
61.37923	1.2
64.53776	1.3
65.03958	1.6
65.75050	1.0
67.05511	27.4
69.03428	3.1
69.07067	12.0
69.96849	4.1
71.04996	3.1
71.08636	28.7
73.02907	3.8
79.05498	28.0
81.03416	4.3
81.07059	35.6
83.04974	4.6
83.08629	19.2
85.06559	1.2
85.10189	16.0
89.06025	2.2
91.05486	9.1
93.06482	2.5
93.07050	36.2
95.04971	8.5
95.08612	57.1
97.02904	4.5
97.06528	4.6
97.10168	5.1
98.20821	1.8
99.04464	4.5
99.11722	1.5
99.78610	1.4
103.07558	1.3
105.07046	8.7
107.04964	10.2
107.08601	27.8
109.02870	3.2
109.06531	2.1
109.10161	11.9
111.04440	5.2
111.08077	1.7
113.53587	1.1
117.07040	8.5
119.08574	10.0
121.06493	5.4
121.10143	12.9
123.11710	3.7
125.05994	3.1
127.03883	1.2
130.07831	1.2
131.08549	2.0
133.10143	3.0
135.08057	2.4
135.11700	43.5
139.07515	2.0
143.08629	2.1
145.10138	28.5
153.12790	1.7
163.11192	53.2
173.09660	3.3
181.12209	10.9
184.07484	1.5
191.00175	1.5
191.10747	2.0
209.11688	4.0
227.12798	96.6
238.73969	1.1
239.23689	9.6
257.24686	2.8
265.14294	2.1
283.15411	59.5
313.27368	100.0
521.38409	70.7
522.38586	1.5
539.28955	2.9
539.39050	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01867	3.5
55.05510	18.1
57.03442	14.4
57.07080	44.1
60.08146	2.2
67.05510	29.4
69.03418	3.8
69.07071	15.4
69.48063	5.3
69.48470	11.4
71.04985	5.7
71.08637	37.1
79.05495	24.5
81.03452	5.1
81.07064	38.0
83.04974	6.8
83.08627	19.7
85.02888	3.0
85.05833	2.3
85.10180	15.9
89.06039	2.1
89.35907	2.0
91.05508	15.4
93.07047	37.9
95.04946	8.8
95.08610	53.8
97.02896	3.6
97.06558	4.7
97.10159	7.3
98.20809	4.4
99.04470	4.7
100.54236	2.3
105.07038	11.9
107.04956	9.6
107.08605	22.4
107.09270	3.3
109.06518	4.4
109.10156	16.0
111.04430	2.6
111.11734	3.2
115.05459	3.1
117.07020	9.1
119.08614	11.6
121.06512	6.6
121.10162	15.5
123.11695	5.2
125.05952	4.1
131.08522	5.4
133.10191	3.0
135.08086	3.1
135.11696	47.0
137.13361	2.4
145.10126	29.5
163.09877	3.7
163.11192	54.8
173.09727	2.8
181.12262	10.3
184.07343	12.6
191.10675	3.3
209.11636	7.6
218.91208	2.6
227.12784	85.9
239.23734	3.9
249.16530	2.5
257.24738	2.9
277.81522	2.4
283.15417	61.4
313.27383	100.0
469.53369	2.3
521.38342	71.8
539.38586	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01867	1.3
56.19973	0.4
65.03939	3.2
67.04977	0.5
67.05503	0.8
69.03442	0.5
70.06582	1.2
70.54367	0.4
71.52191	0.7
72.08142	0.8
75.04483	3.5
75.97100	0.4
78.04719	2.3
79.05497	2.4
81.03420	1.0
81.07052	0.5
84.04495	0.5
84.08118	0.6
85.02894	3.1
85.03307	0.4
86.09698	1.3
89.06011	0.9
91.05486	11.4
93.03409	9.8
93.07040	4.9
94.34143	0.5
95.04968	3.8
97.06525	3.0
103.03901	0.4
103.05478	5.4
104.10742	1.0
104.74101	0.4
104.99720	0.5
105.03371	0.7
105.04486	1.4
105.07027	1.5
106.04179	25.7
107.04971	2.4
107.08580	0.4
109.06485	1.1
111.04463	0.5
117.03370	0.9
118.04143	0.5
119.04920	1.5
121.06512	24.9
123.04427	1.4
123.08064	1.0
124.05221	0.6
125.05991	7.7
127.03933	0.6
131.04922	1.2
133.06485	0.5
134.03639	4.7
135.04413	1.4
137.05977	3.6
138.06767	1.4
139.07556	3.0
145.02846	1.9
147.04449	0.6
147.11636	0.4
148.05199	1.5
149.05986	40.9
151.07549	1.4
153.05473	1.6
153.09117	11.6
161.06007	0.6
162.01373	0.5
163.03897	1.4
163.07536	1.7
165.05525	0.7
166.06235	1.6
167.07094	2.8
167.08374	0.5
177.05486	21.8
181.08597	17.8
184.07397	1.1
191.07079	2.0
192.07959	0.5
193.08597	1.1
195.06534	0.9
198.57607	0.5
209.08102	100.0
210.08539	0.6
223.04260	6.0
262.66418	0.5
387.14642	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
55.05279	1.1
55.05521	7.6
57.07069	6.1
65.03932	2.2
67.05508	100.0
69.07068	11.4
70.06575	2.8
70.65141	3.3
70.65504	1.2
71.08608	3.5
79.05490	12.6
81.07060	94.4
82.07369	1.1
83.04977	3.4
83.08626	9.0
85.10166	3.0
88.07620	4.4
88.53048	1.2
89.05997	1.9
91.05463	6.6
92.26191	1.3
93.07047	12.6
95.08613	77.8
97.06538	2.4
97.10166	4.4
102.09174	2.6
105.07033	3.2
107.08577	7.1
109.10161	25.1
111.04417	2.5
111.08084	2.1
117.06999	1.9
119.08579	2.3
121.10137	7.0
123.11723	16.4
125.26577	1.4
131.08578	7.4
133.10123	3.6
135.11717	7.3
137.13258	16.7
139.11186	1.6
145.10107	5.4
147.11642	2.4
149.09589	2.8
149.13309	6.5
151.14821	6.5
155.10667	1.2
159.11687	3.5
161.13242	1.4
163.11183	3.0
163.14821	3.0
167.10658	1.7
173.13272	6.1
177.12730	1.3
179.14250	2.4
181.12267	2.7
181.45712	1.1
187.14844	2.9
191.10686	1.3
191.14256	2.7
195.13873	3.2
205.15659	1.4
209.11682	3.4
209.15364	6.7
210.12230	1.8
213.72021	1.3
223.16905	4.6
225.12109	1.1
227.12805	8.5
237.18559	2.2
243.21037	4.7
256.26480	6.7
260.77328	1.2
261.22195	4.0
279.23199	89.7
284.29358	1.6
311.29355	11.3
359.56485	1.3
410.61523	1.3
485.00986	1.4
540.40417	5.7
540.53528	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	541.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09842	0.4
57.03428	0.6
61.02932	0.8
66.53829	0.4
68.98305	0.7
69.03439	3.0
70.68089	0.5
70.68404	1.0
71.12499	0.4
71.25137	0.5
73.02914	0.6
77.00888	0.5
81.03426	1.1
82.99804	2.3
85.02919	7.4
97.02899	2.7
101.00889	14.4
101.02262	0.5
109.02899	1.3
113.00892	3.8
115.02432	4.2
119.01935	20.3
122.29613	0.5
127.02459	3.1
127.03917	4.0
129.03979	0.6
131.01942	8.2
132.95862	1.1
133.02461	0.7
133.03473	11.0
137.00908	0.6
137.02971	1.4
139.02423	1.6
141.03963	0.6
143.01910	22.5
145.03471	14.0
145.04941	2.6
147.01396	1.2
147.05020	0.9
148.03889	0.7
149.02979	3.6
151.04456	1.1
153.03973	0.8
155.00656	1.0
155.01910	17.1
157.03488	7.8
159.05029	0.8
161.02974	22.6
161.06622	0.6
163.04582	2.3
167.01926	9.7
168.99911	0.8
169.01378	0.5
169.03516	4.7
171.01392	10.6
171.05045	2.7
172.61044	0.5
173.02977	22.9
174.96931	1.1
175.00903	1.8
175.04544	2.7
179.01924	3.8
181.03435	1.2
183.01387	1.6
184.04378	0.7
185.02979	43.9
186.96947	0.8
187.00986	0.6
187.02936	0.7
187.04558	5.3
189.00757	1.0
189.02466	21.0
191.04022	2.5
197.02986	17.2
197.04785	1.1
198.96855	0.9
199.00893	4.4
199.02626	0.6
199.04576	2.1
201.02454	2.9
201.06140	0.5
203.04018	11.3
207.03532	2.0
208.04675	0.9
209.02838	1.4
210.97031	0.5
211.00909	0.9
213.02429	0.7
215.00443	1.6
215.04018	11.0
215.07582	0.9
217.01950	5.6
217.05402	0.8
221.05035	2.4
225.02448	0.9
227.00485	0.8
227.04027	11.7
229.01958	5.3
231.03525	11.4
233.05034	1.0
234.99023	1.2
235.03061	1.6
239.04131	0.8
241.01884	1.2
243.03535	2.2
245.05098	100.0
246.05333	1.4
247.02792	0.9
247.05003	2.1
249.04599	6.0
253.01947	0.8
255.03513	1.6
257.05066	7.5
259.03015	15.2
261.04587	3.9
263.06125	10.0
271.02954	3.6
273.04648	5.4
275.06143	15.4
277.00073	2.7
277.03989	6.9
285.04489	0.7
286.07733	1.2
288.55707	0.6
289.03958	6.8
291.05606	6.0
293.07202	4.1
296.50323	0.6
301.04041	1.0
303.05579	4.1
305.07224	11.1
307.01328	0.6
307.05197	1.6
313.04181	0.6
315.05673	0.7
317.07095	1.2
319.05099	6.6
319.08536	0.6
329.03235	0.8
331.05118	2.2
333.06720	8.0
335.08240	4.8
343.04950	1.5
349.06046	1.6
351.07800	2.1
361.06186	11.2
361.10519	0.7
365.09311	10.6
379.07150	7.4
397.04453	2.4
511.11520	1.0
513.12836	1.4
525.30487	0.5
541.12305	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2285
Annotation	Erizomycin
Peak:m/z	Relative Intensity
52.14902	1.5
53.03934	4.2
55.01873	2.4
55.05516	7.7
57.57755	1.4
65.03935	1.4
67.05502	11.3
69.03442	6.6
69.07071	3.2
70.06571	2.1
71.04998	3.7
71.51773	2.2
72.08158	3.1
79.05497	14.2
81.03435	9.1
81.07049	6.1
83.04974	5.1
85.02914	6.2
86.09711	1.6
86.83496	1.4
91.05498	10.2
93.07034	5.6
95.04989	9.2
95.08609	4.7
97.02944	2.6
97.06561	3.5
99.04450	5.9
103.03960	1.6
105.07033	16.2
107.04955	21.2
107.08603	4.5
109.02887	4.4
109.06518	5.2
109.10165	36.6
111.04446	2.9
114.71258	1.8
117.07044	3.1
119.08597	12.8
120.08111	4.7
121.06499	3.2
123.04446	2.1
123.08073	2.4
125.05986	4.1
126.53391	1.2
127.03919	4.1
128.06252	6.4
128.31525	1.4
129.07004	3.8
131.04922	1.9
131.08621	1.6
133.06503	2.9
133.10153	12.3
135.08066	2.7
137.06017	7.2
137.09628	56.6
143.07056	1.6
143.08560	12.9
145.06509	2.2
145.10136	3.8
146.07253	3.2
147.04433	2.9
147.08054	19.6
149.05992	2.4
151.07547	2.7
155.10672	1.5
159.08069	1.9
161.05997	4.2
161.09631	100.0
163.03938	3.8
163.11195	1.4
165.05490	6.7
165.09128	87.9
171.08044	2.4
174.06795	2.8
175.07524	2.2
179.07059	5.4
179.10696	8.9
189.09088	15.3
191.07098	1.7
197.11684	2.5
203.07059	4.9
207.10184	59.9
217.08559	2.2
221.08124	3.2
225.11240	16.7
233.08066	1.9
245.08026	7.7
263.09219	6.0
275.20117	4.2
281.10226	1.4
293.21170	1.9
327.14374	3.0
369.15421	3.8
387.16364	8.8
437.19983	1.5
541.17883	2.0
541.28943	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	541.335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
57.07061	1.8
58.86473	0.5
67.05495	0.9
71.54287	0.6
79.05497	0.8
81.07059	1.5
90.70137	0.5
91.05473	0.5
93.07059	0.8
95.08607	1.0
102.09184	0.7
105.07034	0.7
107.08579	0.5
111.04478	0.4
125.09708	0.5
155.08531	0.5
173.16664	0.4
185.04185	0.5
196.19962	0.4
202.44539	0.4
203.05321	1.3
260.97870	0.5
294.17352	0.5
334.34305	0.5
413.52176	0.4
526.98999	0.5
540.53748	0.6
541.33508	100.0
541.53845	2.9
542.33905	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.4
53.03951	8.5
55.01872	2.3
55.05510	23.0
57.03436	2.8
57.07074	5.1
65.03940	4.8
67.05507	60.3
69.03427	1.4
69.07070	13.8
70.06596	4.3
71.04997	2.3
71.06950	0.9
71.08628	2.7
76.74795	0.8
77.03921	2.3
79.05495	72.2
81.03429	5.4
81.07056	50.0
82.71165	0.8
83.04984	9.1
83.08617	7.5
85.06541	0.9
85.10181	0.8
87.08128	0.8
88.07649	3.5
91.05485	53.7
93.07045	65.2
95.04972	14.6
95.08609	35.7
97.06541	4.6
97.10168	3.1
99.08102	1.1
102.09176	3.9
103.05441	0.9
105.04530	3.4
105.07034	37.4
107.04977	4.5
107.08598	22.3
109.06514	4.7
109.10155	8.8
111.08107	2.2
111.66330	0.7
115.05495	0.9
117.07037	8.0
119.08582	21.8
120.44714	0.8
121.06488	2.2
121.09312	1.5
121.10137	13.8
123.08053	3.6
123.11738	2.4
125.09663	0.8
127.07496	0.9
128.06210	2.1
129.07013	13.2
130.07748	1.1
131.08569	9.6
133.10147	13.4
134.84044	0.7
135.11673	8.0
137.09665	0.9
139.94472	0.7
143.08563	6.8
145.10129	12.4
147.08061	1.6
147.11687	24.1
147.12801	1.4
149.13284	3.0
155.08600	1.5
157.10164	2.8
159.11681	3.9
161.09621	3.7
161.13275	11.7
169.10202	2.4
171.11691	20.4
171.13150	1.1
173.13310	2.7
175.14798	1.8
185.13350	1.2
187.14891	2.0
189.12740	9.1
197.13219	0.9
199.14897	1.3
207.13803	23.9
211.14946	1.0
213.16292	1.2
225.14880	2.5
243.20992	0.8
256.26361	8.2
257.26666	4.0
259.20428	1.1
261.22128	3.7
274.27170	1.1
281.17603	2.0
283.26575	1.3
284.29654	1.4
285.29990	1.5
302.81595	0.9
311.29370	5.7
312.29684	5.2
317.24905	1.2
331.84683	0.8
335.25952	0.8
431.33148	0.9
449.34079	2.1
467.35504	1.0
469.08255	0.8
523.38287	1.0
540.53687	7.2
541.38989	100.0
541.53357	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	542.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.6
57.07077	33.7
60.05672	0.8
65.21631	0.6
67.05531	1.5
69.07061	2.4
70.06076	0.5
71.08635	25.4
71.53319	0.6
71.53773	1.0
73.06558	6.5
75.10146	0.6
79.05494	1.4
81.07076	1.5
83.08636	2.0
85.10187	21.9
87.04471	4.7
89.06035	100.0
91.05483	1.9
91.07607	0.9
93.07058	1.4
95.08633	1.8
97.10169	3.0
99.11740	3.8
105.07015	1.5
107.07067	2.1
107.08594	1.0
113.13288	1.5
114.09198	0.6
117.09123	4.8
119.08582	0.8
121.10205	0.6
130.08647	2.6
131.07079	1.1
133.08611	50.7
135.10242	1.1
135.11734	0.9
138.66867	0.6
145.10201	0.8
155.17957	4.6
161.11731	1.0
163.11238	0.8
177.11235	23.7
186.82260	0.6
195.12347	0.7
199.20598	4.2
214.64677	0.6
221.13843	5.1
227.12756	1.0
228.13232	0.9
236.06786	0.7
239.14894	2.2
240.23280	0.7
243.23187	12.8
265.16522	1.5
267.12018	1.1
283.17514	3.1
287.25739	8.6
289.60632	0.7
309.19110	1.2
327.20322	2.0
327.94043	0.7
337.27640	0.6
371.22751	9.0
393.32059	1.1
437.34854	1.2
481.37711	1.4
525.40070	19.6
542.35095	3.1
542.43109	4.0
542.54254	0.8
543.36615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23631	0.5
54.39574	0.6
62.70106	0.6
69.61795	1.0
69.62202	2.5
85.07325	0.5
90.64914	0.6
101.71481	0.5
363.06845	3.5
381.07935	11.8
518.36652	0.6
543.13251	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	1.3
69.19852	1.8
69.20251	7.9
70.37244	1.1
85.02895	3.3
97.02927	1.7
98.21501	2.4
103.00638	2.2
106.53051	1.0
115.00639	1.4
119.01937	1.9
120.61785	1.0
121.01698	3.1
127.03908	1.0
135.03172	1.3
143.01927	2.3
145.01689	4.2
147.03218	2.3
151.02693	1.2
152.52527	1.1
155.01923	1.0
156.02110	1.3
157.01730	3.0
157.03487	2.0
159.03221	2.5
161.02975	2.9
163.02777	3.5
173.03044	2.7
175.02757	4.1
185.03009	1.5
186.03174	1.0
187.02727	6.5
191.02286	2.0
199.02745	2.3
203.04016	1.9
203.54208	1.0
205.03804	2.1
209.57066	0.9
217.03868	2.4
225.96597	1.0
229.03830	1.1
230.38208	0.9
233.03339	1.1
235.47606	1.1
245.05147	4.8
246.05457	3.0
247.04884	16.7
249.03354	1.2
259.05301	1.0
261.02890	1.4
265.06064	2.2
277.06097	1.3
291.03888	1.2
307.07034	2.0
307.10754	1.0
321.05057	1.4
363.06702	3.4
365.09375	1.2
367.09335	2.7
381.07874	13.1
543.13275	100.0
544.13635	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01868	10.3
55.05508	2.8
57.03441	2.7
67.05495	5.3
69.03429	12.1
69.07079	12.3
69.22380	2.0
71.04996	5.6
71.52007	2.3
78.65282	1.9
79.05490	13.9
81.03434	25.1
81.07050	17.6
85.02894	6.4
85.06544	4.7
91.05479	8.7
93.07049	29.5
95.04971	6.0
95.08617	12.8
97.02903	4.8
97.06533	8.7
97.12346	2.4
99.04443	7.9
103.03976	2.4
105.07026	24.8
107.04897	2.4
107.08593	42.8
109.02874	15.6
109.06466	10.2
110.14267	2.1
111.04458	2.2
111.08067	6.3
113.06012	4.4
119.08572	8.7
121.06510	14.7
121.10150	23.3
123.08064	6.7
125.06030	3.2
127.03905	18.8
129.07068	2.4
131.08594	3.6
135.08041	5.1
135.11667	10.7
137.05974	8.4
139.11087	2.6
145.10115	21.6
147.04381	5.0
147.08084	3.0
147.11705	3.8
149.09621	12.3
151.07532	5.9
157.06561	3.3
161.06001	3.5
161.09514	2.4
163.03880	2.1
163.11172	48.7
165.05515	9.1
167.10674	23.1
167.41624	2.5
169.08615	74.6
173.09621	7.1
175.07617	4.6
181.12215	14.3
185.11749	5.7
191.10658	28.1
199.07536	3.1
203.07086	4.1
209.11734	29.9
217.08592	4.9
221.08058	5.2
227.10527	5.0
227.12788	100.0
245.08072	16.9
263.09195	10.0
266.50388	2.1
267.17303	2.6
269.13947	4.4
277.10580	2.5
289.14316	3.3
317.13724	3.1
335.14798	5.3
353.16061	21.8
371.16922	15.9
380.31427	2.4
507.22144	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	543.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50249	0.7
53.03952	5.2
53.20447	0.7
55.01871	3.3
55.05514	18.1
57.03438	3.2
57.07085	1.4
61.02926	1.9
65.03946	2.6
67.05511	39.2
69.03443	2.4
69.07077	10.5
70.09570	3.6
71.05002	2.6
71.08636	0.9
73.02952	1.2
77.03925	1.3
79.05497	43.6
81.03423	5.2
81.07065	42.5
82.07419	1.2
83.04987	4.3
83.08624	8.3
85.02909	2.2
85.06562	1.5
86.09722	3.0
88.61549	0.8
91.04914	1.0
91.05490	24.5
93.07051	53.7
93.17358	0.9
95.04977	8.0
95.08615	47.1
96.09009	0.8
97.02918	4.0
97.06544	5.7
97.10186	3.3
99.04478	2.9
104.25800	0.9
105.04558	0.8
105.07041	19.7
107.04964	8.7
107.08605	33.6
109.06553	2.3
109.10168	10.4
109.25842	0.8
111.04457	1.4
111.08104	1.4
117.07040	12.9
119.08595	15.4
121.06518	4.3
121.10155	21.3
123.08064	1.5
123.11758	2.0
125.05994	1.5
125.09638	1.9
129.07066	3.2
130.07782	1.5
130.99994	0.8
131.08574	8.6
133.10155	10.7
135.08075	2.6
135.11705	37.2
140.98447	1.0
141.07054	1.2
143.08607	3.4
145.06546	1.0
145.10132	25.7
146.98222	4.5
147.11707	5.0
149.13249	4.5
150.28255	0.9
153.12704	1.2
155.08591	1.8
157.10220	2.4
159.11705	4.2
161.13338	2.7
163.11194	43.0
163.14948	2.0
169.10197	1.2
171.11755	2.0
173.13350	2.3
175.14920	1.3
179.14462	1.3
181.12257	11.8
185.13290	1.1
187.11220	0.9
187.14946	2.3
189.16431	0.9
193.12355	0.9
195.11690	0.9
197.13387	1.1
209.11780	2.0
211.14751	1.1
227.12799	89.9
243.21210	2.2
257.19318	0.8
261.22165	6.7
275.20163	1.8
277.21744	1.4
283.15384	1.0
284.83011	0.9
317.24945	2.0
333.15366	2.4
334.15485	1.6
404.88388	0.9
408.19327	1.3
433.31046	1.7
451.32373	3.1
484.25494	4.3
525.35760	4.9
543.37018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.9
53.03940	3.3
55.01867	3.1
55.05274	0.9
55.05517	15.1
57.03434	3.1
57.07073	1.8
59.26107	0.7
60.67400	0.6
62.27216	0.8
64.73361	0.7
65.03936	2.8
66.63100	0.7
67.05507	35.1
69.03426	1.5
69.07070	10.0
69.85399	4.0
71.04997	2.8
73.02937	0.9
79.05496	44.0
81.03432	2.9
81.07061	38.1
83.04987	3.5
83.08624	10.8
85.06545	1.1
91.05485	24.3
93.07049	51.8
95.04984	6.9
95.08613	42.4
97.02894	3.2
97.06524	3.7
97.10176	3.4
99.04472	3.3
99.08113	1.0
103.05489	1.3
105.04552	1.9
105.07034	15.9
107.04953	7.6
107.08601	33.4
109.06544	2.2
109.10162	8.2
111.04427	1.0
111.08108	2.4
113.05988	1.0
113.09678	0.9
115.05408	1.5
117.07024	12.5
119.08587	14.7
121.06530	4.3
121.10152	19.7
123.08119	1.3
123.11718	2.0
125.05999	2.8
125.09634	1.5
127.07617	1.0
129.07082	1.6
130.07787	2.5
131.08591	7.1
133.10130	9.8
135.08084	2.2
135.11700	41.1
137.09598	1.0
141.07018	1.0
143.08574	2.1
145.06528	0.8
145.10130	27.7
147.11693	3.7
149.09633	1.1
149.13274	3.1
155.08484	1.3
157.10114	1.6
159.11740	3.5
161.13293	1.9
163.11183	44.8
163.14877	1.3
167.08643	0.9
169.10161	1.3
171.11697	1.1
173.09616	1.0
173.13304	3.2
175.14911	1.1
181.12236	12.3
183.11719	1.3
185.13304	1.9
187.15016	1.1
197.13210	1.1
209.11768	2.4
227.12793	100.0
243.21342	0.8
261.22226	4.8
283.15515	1.1
299.23776	1.3
317.24875	2.7
333.24191	0.9
433.31259	1.4
451.32153	2.3
469.32874	1.5
473.66153	0.9
525.35492	4.7
543.36841	93.1
544.37488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66091	0.8
53.03941	3.6
55.01878	3.5
55.05518	15.7
56.47250	0.8
57.03432	3.1
57.07053	1.2
65.03934	2.4
67.05511	39.6
69.03432	2.2
69.07072	12.1
71.04992	2.9
73.02917	1.2
79.05498	43.9
81.03430	3.6
81.07062	35.2
82.31552	0.8
83.04990	4.8
83.08624	9.4
85.06552	1.6
85.13662	0.8
89.06045	1.6
91.05489	23.8
92.66949	0.8
93.07050	58.7
93.45045	0.8
95.04975	9.9
95.08614	47.7
97.02898	4.3
97.06542	4.3
97.10162	2.5
98.20708	1.4
99.04463	2.8
99.08121	0.8
103.05476	0.9
105.04532	2.5
105.07036	16.5
107.04955	6.8
107.08601	35.2
109.06555	2.7
109.10165	7.5
111.04475	1.3
111.08075	1.3
115.05405	1.0
117.07032	13.0
119.08591	17.6
121.06528	5.3
121.10155	21.5
123.08096	1.3
123.11719	2.8
125.05986	2.8
125.09615	1.8
129.07040	1.5
130.07758	1.7
131.08574	8.4
133.08678	1.2
133.10136	7.7
135.08060	3.4
135.11703	45.6
139.07556	1.8
143.08565	2.0
145.06462	1.4
145.10135	29.6
147.11719	3.9
149.13277	3.3
155.08554	1.8
157.10135	2.4
159.11748	4.2
161.13295	2.0
163.11198	48.8
163.14853	1.3
169.10196	1.0
171.11699	1.5
173.09714	1.6
173.13280	3.5
175.14786	1.1
181.12231	11.2
183.11650	1.0
185.13275	1.3
187.14824	1.2
197.13290	1.1
201.16441	1.1
209.11795	2.5
227.12798	99.2
229.47562	0.8
243.21077	2.1
257.15454	0.8
261.22156	6.5
265.14404	1.2
275.20059	1.9
283.15216	1.8
283.20502	1.2
317.24841	2.6
433.31030	1.5
451.31845	2.7
469.33078	1.2
525.35559	5.1
543.36859	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	4.3
53.03939	5.3
55.01878	8.5
55.05273	2.4
55.05514	30.2
56.03031	2.0
57.03437	21.1
57.07067	2.2
59.04993	4.4
67.05177	3.3
67.05510	41.8
69.03423	4.9
69.07055	10.7
69.31955	15.8
71.04987	6.6
77.64871	2.0
79.05501	40.0
79.05926	4.3
81.03425	68.3
81.07060	46.1
83.04995	20.0
83.08623	31.9
83.09074	3.6
85.02904	22.8
85.06539	4.6
91.05487	61.3
93.07046	33.6
95.04980	28.2
95.08617	16.1
97.02898	5.1
97.06532	12.6
97.10184	5.6
99.00809	20.3
103.05532	2.8
105.07037	41.1
107.04958	20.4
107.08601	18.8
109.02895	14.1
109.06552	6.7
109.10159	8.2
111.04464	5.3
111.08084	15.7
113.05984	4.3
115.03941	4.1
117.07037	7.1
119.04971	2.3
119.08578	33.8
121.06492	9.0
121.10161	10.7
123.08054	4.3
123.11716	3.7
127.03925	4.0
128.06250	3.1
129.07019	12.6
131.08565	15.2
133.06523	4.2
133.10136	56.9
135.08081	2.6
135.11699	4.4
137.06029	2.4
137.09546	2.9
139.07512	3.8
142.07817	4.5
143.08578	5.8
145.10114	3.4
147.08058	5.3
147.11673	13.8
149.09613	7.3
151.11215	11.4
157.10152	14.6
161.09653	17.3
163.11188	7.5
165.09198	2.3
165.12723	3.1
171.08063	4.2
175.11208	15.6
179.10672	9.8
189.09084	10.8
193.12260	54.8
197.11667	3.1
207.10202	3.8
211.13287	87.4
225.11240	15.0
227.12804	4.4
243.12279	3.5
267.15921	27.6
281.13843	7.6
283.15561	5.3
285.16968	69.2
299.14911	100.0
355.15234	2.6
477.28342	3.2
491.26422	23.8
509.27478	96.3
544.37555	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	545.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	8.7
55.05501	11.7
57.03444	21.2
67.05503	40.8
69.03435	4.6
69.07065	5.6
70.90875	7.1
73.62026	2.9
77.22255	3.5
78.86708	2.7
79.05504	19.8
81.03408	5.5
81.07053	24.5
83.04952	7.5
83.08619	4.7
85.02920	5.4
85.06553	20.0
91.05485	14.9
93.07038	13.1
93.65731	2.8
95.04981	36.3
95.08599	12.2
97.06526	5.7
105.07025	16.7
107.04961	6.9
107.08590	10.0
109.06520	41.7
109.10138	6.5
110.36673	3.0
113.06000	50.4
117.07027	8.5
119.08630	4.8
121.10117	7.1
125.09598	4.2
127.03921	3.1
129.07002	5.9
131.08562	9.8
133.06461	4.7
133.10165	7.8
135.08054	23.1
135.11717	6.7
137.09612	3.1
143.08549	5.1
145.10118	7.2
147.08057	4.1
147.11694	3.3
149.09581	5.1
157.10098	4.2
159.11708	5.6
161.09579	5.8
175.11037	2.8
184.07384	6.5
185.09505	2.8
193.12111	3.3
196.13354	3.1
199.14890	4.5
217.15947	6.2
273.18561	16.5
291.19510	61.6
347.22134	8.2
365.23230	100.0
480.20026	3.5
527.28656	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
55.01880	2.8
55.05274	1.9
55.05513	27.0
57.03426	5.7
57.07060	2.8
60.19299	1.3
66.18861	1.3
67.05508	52.2
69.03424	3.1
69.06795	1.3
69.07074	16.0
70.25254	1.4
71.05017	2.9
71.08623	8.3
71.90066	1.3
75.39989	1.6
76.17762	1.4
79.05492	38.6
81.03427	22.0
81.06596	3.0
81.07058	56.5
83.04987	4.6
83.08244	1.4
83.08634	17.8
85.02899	1.5
85.06539	1.8
85.61314	1.5
91.05487	33.5
93.06486	2.9
93.07052	50.3
95.04956	16.4
95.08610	34.4
97.06524	5.4
97.10175	11.5
99.08099	7.0
99.12984	1.4
105.07031	23.6
107.04973	7.2
107.08601	28.3
109.06511	4.3
109.10155	16.5
111.08083	3.9
115.05447	1.7
117.07030	9.1
119.08591	20.9
120.59315	1.3
121.06488	4.6
121.10150	21.3
123.08065	3.1
123.11713	7.1
125.09623	8.9
127.61102	1.4
129.07018	5.4
131.08578	17.6
133.06497	1.7
133.10144	13.6
135.08049	5.3
135.11682	17.0
137.09650	2.9
138.25179	1.5
141.06941	1.4
142.07753	2.0
143.08574	7.6
145.06514	1.6
145.10127	8.0
147.08073	2.7
147.11678	9.3
149.09657	3.1
149.13252	8.5
151.11217	3.7
155.08517	2.5
157.10094	7.3
159.11671	8.5
161.13248	5.1
163.11194	4.2
169.10159	1.5
171.11732	5.4
173.13297	7.1
175.11205	3.7
175.14870	4.0
177.12894	2.1
179.14322	27.1
183.11676	1.6
185.13312	4.4
187.14844	2.8
189.11252	6.3
189.16481	1.4
193.12268	6.2
195.13840	2.0
197.13261	1.8
201.16476	1.7
211.13220	2.6
211.24139	1.6
223.14864	1.7
227.12823	6.3
233.15445	2.0
243.21231	3.5
261.22131	9.2
267.15894	14.6
277.21646	22.3
281.21207	1.8
295.22464	1.7
301.25247	9.6
303.23288	2.4
317.24686	1.6
323.22162	1.9
335.25790	13.9
403.24524	1.6
435.32816	3.7
436.72223	1.7
453.33405	10.2
471.34705	5.7
527.29529	1.1
527.37280	33.7
545.38416	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.3
55.01889	4.8
55.05270	1.7
55.05516	24.2
55.49301	1.0
57.03447	7.4
57.07072	2.5
58.69467	1.0
65.03937	2.9
67.05511	56.8
69.03423	3.2
69.07075	17.4
70.69606	2.7
71.04980	2.5
71.08648	2.0
72.38696	1.1
79.05498	34.6
79.26707	0.9
81.03423	22.8
81.07063	53.3
83.04995	5.6
83.08625	17.6
85.06538	3.6
89.35658	0.9
91.05489	31.2
93.07052	35.4
95.04977	16.7
95.08614	38.7
97.02854	1.1
97.06531	4.5
97.10182	16.7
99.08106	1.9
101.06038	1.0
105.04534	1.5
105.07035	25.8
107.04965	7.1
107.08605	25.5
109.06537	4.6
109.10168	21.4
111.08083	3.6
112.39938	1.0
115.05484	1.0
117.07024	12.6
119.08592	23.9
121.06550	6.7
121.10151	18.2
123.08086	3.8
123.11723	7.9
125.09645	13.2
128.06239	1.9
129.07027	7.7
131.08585	19.9
133.06516	2.8
133.10144	15.7
135.08075	6.3
135.11696	15.0
137.09645	3.6
141.07021	2.2
142.07811	1.9
143.08583	8.5
144.09384	1.4
145.06419	1.1
145.10135	15.9
147.08087	4.8
147.11703	11.7
149.09648	3.6
149.13292	5.8
151.11140	1.9
153.09167	1.5
155.08594	2.6
157.10141	8.1
159.08043	1.5
159.11705	10.5
160.63388	1.0
161.09604	2.2
161.13258	6.6
163.11180	6.8
163.14810	1.9
169.10143	3.5
171.10350	1.7
171.11641	5.3
173.13274	8.8
175.11201	4.0
175.14833	4.2
177.12738	2.1
179.14339	1.4
183.11784	2.8
185.13257	4.8
187.11217	1.5
187.13402	1.6
187.14816	5.0
189.11240	6.4
189.12732	1.3
189.16373	1.3
193.12198	7.7
195.11703	1.4
197.13329	2.7
199.14859	3.0
201.16467	2.0
205.12216	1.2
209.13301	1.6
211.13220	2.4
213.16426	1.4
227.12759	21.5
233.15398	1.4
243.15932	1.4
243.21095	2.8
247.16891	1.7
259.20801	1.5
261.19193	1.2
261.22150	12.1
267.15927	23.1
279.19403	1.1
279.23279	1.7
285.22266	2.5
287.20013	1.8
295.22586	1.0
299.23892	2.6
301.25232	11.8
303.23361	1.3
307.19382	1.0
315.23236	1.1
317.24939	3.1
335.25848	15.9
343.22641	1.5
359.25900	3.6
403.24664	1.5
408.14343	1.2
417.21191	1.1
417.31534	2.0
421.25882	3.4
435.27289	1.8
435.32629	6.1
451.31952	1.3
453.33661	9.2
471.34686	8.3
509.36301	1.8
527.37347	53.6
528.37561	1.4
545.38409	100.0
546.38623	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	545.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.7
55.01866	4.8
55.05271	2.1
55.05514	30.1
57.03437	9.2
57.07072	3.1
59.04991	1.6
65.03941	3.1
66.56903	1.3
67.05508	62.7
69.03432	3.8
69.07073	21.8
69.34151	8.6
69.34562	3.9
71.05021	2.9
79.05497	45.4
80.43563	1.5
81.03429	15.9
81.07063	71.3
83.04981	4.3
83.08625	16.8
85.06547	4.5
91.05485	41.4
93.07052	45.3
95.04964	14.5
95.08610	40.0
95.09077	0.9
97.06526	5.9
97.10175	13.1
98.20787	3.5
105.07034	38.6
107.04948	4.5
107.08601	31.5
109.06513	3.8
109.10156	21.8
111.08082	4.3
117.07020	16.8
119.08590	35.8
121.06511	5.2
121.10157	22.8
123.08072	4.7
123.11723	8.6
125.09664	8.0
128.06201	3.2
129.06995	12.1
131.05006	1.5
131.08585	30.1
133.10139	24.4
135.08090	4.1
135.11696	12.3
137.09642	2.3
139.11189	2.2
141.07014	2.7
142.07785	3.7
143.08595	12.0
144.09325	1.8
145.10130	27.3
147.08072	2.7
147.11697	19.3
149.09624	2.5
149.13261	10.7
153.12750	1.4
155.08565	3.4
157.10123	13.7
159.11710	20.7
161.09615	2.8
161.13298	13.8
163.11162	3.4
163.14819	2.3
165.12775	2.6
169.10156	8.4
171.11674	11.6
173.13297	13.2
175.11305	2.2
175.14853	5.6
177.12794	3.3
181.10175	3.0
183.11707	7.9
185.13243	11.6
187.13387	2.1
187.14809	9.0
189.11253	5.2
189.12817	2.3
193.12233	7.3
195.11726	2.8
195.13676	1.6
197.13254	4.6
199.11270	2.3
199.14894	5.7
201.16461	5.0
207.11688	1.8
209.13251	1.9
211.11171	1.8
211.13097	1.9
211.14806	3.3
213.16460	3.6
227.12837	6.9
233.15634	1.6
241.19594	8.6
243.21100	2.4
247.16980	1.7
259.20560	12.2
260.74573	1.4
261.19095	1.8
261.22067	10.9
267.15948	16.7
269.17349	8.8
271.20581	2.6
277.21667	2.2
283.24023	2.1
285.22253	4.1
289.21619	1.7
299.24005	2.0
301.21988	2.6
301.25186	10.9
303.23245	2.4
315.23056	2.4
317.24719	1.8
333.24261	6.7
335.25977	10.6
341.24881	2.0
407.33310	2.4
417.31668	3.5
425.34305	5.1
435.27628	3.4
435.32681	13.5
453.33667	20.8
459.02362	1.5
471.34763	10.8
499.38394	2.1
509.36157	7.7
515.37152	3.7
517.38928	13.9
527.37354	88.7
545.38373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.0
55.05520	13.2
57.03454	6.7
57.07075	2.4
59.33549	1.3
62.05801	1.5
62.06092	18.4
67.05511	21.3
69.07070	12.4
71.05006	2.6
71.08630	9.0
71.10927	3.5
74.26558	1.4
79.05499	14.0
81.03416	7.5
81.07067	29.9
83.04993	3.5
83.08636	10.0
85.02905	2.6
85.06528	1.8
91.05482	13.1
93.07056	17.9
95.04965	5.1
95.08608	17.8
97.06530	4.3
97.10177	5.2
98.98479	36.6
99.08098	4.8
105.07033	14.2
107.08616	16.6
109.06523	13.5
109.10168	11.9
111.04408	1.5
111.08088	2.7
112.11241	2.0
117.07001	4.2
119.08593	22.7
119.98244	1.9
121.10162	8.5
121.98688	1.5
123.08080	24.1
123.11686	2.7
124.01610	1.8
125.09631	2.1
129.07010	3.5
130.08636	1.8
131.08600	6.6
132.10181	1.4
133.10146	14.4
135.08051	13.0
135.11707	4.5
137.09720	3.5
143.08597	1.8
145.10130	7.3
147.11708	11.3
149.09624	4.7
149.13268	6.2
155.01071	2.9
157.10162	5.5
159.11707	5.2
161.09595	3.7
161.13268	3.0
163.11201	3.5
163.14796	1.6
165.12817	2.0
167.14282	2.1
173.02109	6.0
173.13274	4.5
175.11157	3.9
175.14853	11.6
177.12775	4.8
179.14317	36.1
185.13217	2.3
191.14243	2.4
193.12270	4.3
198.05284	2.4
205.15956	5.7
211.13304	5.2
216.06364	6.3
229.14296	2.9
233.18997	1.7
235.74591	1.5
247.20616	2.0
263.20035	1.9
267.15887	4.1
275.20190	3.1
285.17084	3.2
289.21588	4.2
303.26801	5.8
319.22723	2.7
331.26328	47.6
333.32816	1.5
349.27405	4.2
374.30435	8.5
380.18567	1.9
387.29129	8.5
405.30020	99.4
413.80902	1.5
423.31064	3.0
453.28436	4.9
485.26675	69.7
485.33771	3.3
503.27701	100.0
528.30957	20.7
528.37909	2.1
546.31915	35.0
546.39185	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	546.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.6
55.05507	17.4
57.03426	6.9
57.07072	4.4
61.02915	4.5
67.05511	45.1
68.05820	3.7
69.07080	14.9
70.23848	2.2
71.04965	3.1
71.07375	2.9
71.08631	6.5
74.35786	2.2
77.78766	2.0
79.05493	27.9
79.15698	2.4
81.03410	7.5
81.07062	50.7
82.07387	4.2
83.04980	5.1
83.08620	11.0
85.02902	3.6
86.09699	16.2
91.03951	3.2
91.05490	17.4
93.07054	34.1
94.07384	2.9
95.04949	3.9
95.08613	39.3
97.06525	4.2
97.10165	7.0
98.98454	7.5
99.08089	4.6
105.07032	18.1
107.08597	24.9
109.06516	9.7
109.10172	27.6
111.08116	3.8
117.06992	7.6
119.08601	17.0
121.10145	22.3
123.08082	20.6
123.11744	11.1
125.00010	9.6
125.09659	2.8
131.08604	14.5
132.08899	2.5
133.10143	13.3
134.10437	2.7
135.08035	9.1
135.11710	16.9
137.13255	6.6
143.08452	2.1
145.10165	14.9
147.11668	13.8
148.12062	2.8
149.09641	2.6
149.13226	15.6
151.11189	2.6
153.12740	2.1
159.11723	13.1
161.13290	6.1
163.14821	8.9
165.12755	3.1
169.10130	2.6
173.13297	11.7
175.14819	8.5
177.12659	5.2
177.16388	4.8
179.14340	24.3
184.07367	49.9
187.14864	6.4
227.12747	3.2
243.21095	20.0
245.35194	2.3
260.45401	2.3
261.22147	70.4
262.22580	2.3
267.15936	2.3
268.16333	3.7
279.19598	2.6
279.23022	5.1
289.21573	8.0
316.55115	2.1
331.26385	10.7
335.25894	22.3
336.26248	3.5
349.27402	6.4
353.26868	25.6
357.11731	2.6
387.28680	4.2
405.30011	100.0
406.30554	4.6
443.65411	2.5
486.12256	2.2
503.27637	5.4
528.37579	13.2
546.38922	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	546.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24061	0.9
55.01862	6.0
55.05510	9.3
57.03426	3.3
57.07074	4.9
59.04976	1.1
67.05502	8.0
69.07071	54.6
71.05002	3.9
71.08633	2.2
73.02905	6.2
73.06570	1.0
79.05495	5.8
81.07054	11.3
83.04971	2.3
83.08620	13.8
85.06495	1.1
91.05454	1.3
93.07040	15.1
95.08613	11.0
97.06538	18.2
101.06012	1.4
107.08598	16.2
109.10159	7.1
111.08083	4.0
111.11739	6.6
115.07616	1.1
124.77507	0.7
125.13161	0.9
128.11705	0.7
135.11694	43.6
153.12747	100.0
171.13800	90.6
177.42017	0.8
189.14841	7.2
198.51364	0.8
207.66495	0.8
212.16479	2.7
213.66953	0.7
323.25732	3.3
341.26880	5.3
359.27747	2.0
483.35901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38572	0.2
55.01876	0.2
55.05510	1.2
56.05033	0.5
57.03428	0.7
58.06617	0.6
60.08165	6.0
67.05511	1.7
69.03408	0.5
69.07069	0.9
70.06586	0.2
71.07377	2.9
76.39174	0.2
79.05507	1.6
81.03421	4.1
81.07071	1.6
83.04198	0.2
83.04995	0.8
83.08630	1.4
85.02908	0.7
86.09709	29.2
91.05487	1.4
93.07041	1.2
95.04969	1.6
95.08603	0.6
96.05273	0.3
97.06534	1.8
97.10183	0.3
98.98473	2.8
104.10744	4.9
105.07047	1.0
107.04931	0.4
107.08583	0.5
109.02877	0.2
109.06492	0.4
109.10154	0.4
111.08107	0.3
112.08517	0.2
117.06976	0.2
119.05006	0.3
119.08585	0.8
121.06494	0.4
121.10152	0.5
122.90063	0.2
125.00010	20.5
125.09644	0.3
127.03941	0.2
129.07021	0.6
131.08604	0.5
133.10136	0.5
135.12842	0.2
142.07700	0.2
145.06447	0.2
147.04425	0.7
147.11693	0.6
148.04716	0.2
149.09633	0.3
157.10147	0.8
165.12796	0.2
171.08134	0.2
175.11226	0.6
184.07346	100.0
193.12221	1.7
195.11748	0.2
211.13307	1.5
240.12352	0.2
260.09927	0.2
267.15967	2.9
285.17081	1.0
302.14810	0.3
328.16293	0.2
355.15436	0.2
356.15591	0.8
367.22653	0.2
373.16583	0.2
374.17023	0.4
384.15408	0.4
385.23758	0.4
433.26059	0.3
453.68829	0.2
459.27466	2.9
477.28476	4.1
530.28632	1.4
548.30035	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	548.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46141	0.2
55.74948	0.2
56.05026	0.6
58.06629	0.6
59.07373	0.2
60.08168	7.2
60.08473	0.4
67.05499	0.7
69.07040	0.2
69.09246	0.2
69.99529	0.4
69.99941	0.5
71.07381	3.4
79.05498	0.4
81.03421	0.4
81.07053	0.7
83.04994	0.2
83.08633	0.2
85.02942	0.2
86.09711	30.6
91.05474	0.7
93.07014	0.3
95.04957	0.2
95.08573	0.3
95.21698	0.2
98.21496	0.3
98.98479	3.3
104.10751	4.4
104.11433	0.3
105.07027	0.4
107.04937	0.2
107.08614	0.2
108.22121	0.2
109.10151	0.4
117.07077	0.2
119.04903	0.2
119.08665	0.2
125.00015	21.0
131.08589	0.3
133.10207	0.3
137.30725	0.2
144.79836	0.2
147.04440	0.7
148.04752	0.3
148.45032	0.2
150.28362	0.2
166.02711	0.2
184.07353	100.0
195.07919	0.2
258.11121	0.3
267.15945	0.2
297.69632	0.2
435.58307	0.2
452.69421	0.2
477.28421	0.2
479.22861	0.2
530.28851	1.3
548.29919	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	548.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.2
55.05494	0.4
56.05039	0.6
57.03433	0.3
58.06628	0.5
58.66206	0.1
60.08167	6.6
62.88945	0.1
63.27130	0.1
65.21930	0.1
67.05506	0.9
69.03424	0.2
69.07057	0.4
70.91447	0.1
71.07372	2.9
71.52224	0.1
79.05492	0.8
81.03423	1.6
81.07059	0.8
83.04992	0.3
83.08626	0.4
84.04513	0.1
86.09708	31.5
91.05490	0.8
93.07047	0.6
95.04979	0.5
95.08592	0.3
97.02921	0.2
97.06531	0.5
97.10191	0.3
98.97932	0.1
98.98463	2.9
104.10747	4.3
105.07041	0.3
107.04926	0.2
107.08591	0.3
109.10142	0.2
111.08071	0.2
119.04942	0.2
119.08588	0.3
120.39705	0.1
121.10161	0.3
125.00006	20.2
129.06987	0.1
133.10121	0.4
133.27284	0.2
143.01077	0.2
145.02859	0.2
147.04431	0.5
147.11719	0.2
148.04843	0.1
149.09637	0.2
157.10172	0.2
175.11217	0.2
184.07344	100.0
185.07823	0.2
193.12257	0.4
211.13330	0.5
221.43315	0.1
258.11020	0.3
267.15918	0.9
285.16910	0.5
291.19492	0.3
356.15994	0.3
384.15338	0.2
459.27356	0.7
477.28354	1.5
495.29208	0.4
530.28741	1.0
548.29834	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.9
67.05505	25.6
69.07068	14.7
69.57314	23.9
69.57720	41.1
79.05492	45.6
81.03417	10.5
81.07044	45.5
86.09705	12.6
91.05476	51.8
93.07070	52.3
93.07545	12.1
95.08598	30.2
98.21519	10.9
100.63331	9.4
105.07064	26.7
107.08601	28.7
109.10154	15.6
117.07030	11.9
119.08595	24.0
121.10127	21.6
133.10132	34.6
135.11688	19.2
143.08539	10.8
145.10158	10.3
147.04413	10.8
147.11707	25.1
159.11646	18.0
161.13324	22.1
171.11662	9.6
178.82066	9.4
241.19563	23.0
259.20584	49.6
274.27530	14.8
277.21594	16.4
351.25320	100.0
422.15338	10.3
495.29807	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	548.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.8
53.27673	1.5
55.01863	3.7
55.05521	15.2
56.30462	1.5
56.82212	1.4
57.03437	15.9
59.17565	1.6
60.08168	2.1
61.91477	1.5
65.03938	3.5
67.05509	23.1
69.03431	6.2
69.07079	8.0
69.15707	10.4
69.16129	5.3
71.04991	4.7
73.40951	1.7
79.05075	2.0
79.05500	25.4
81.03421	100.0
81.07062	24.4
83.04994	12.9
83.08621	25.5
85.02908	14.1
85.06537	2.3
86.09709	9.8
91.05489	32.7
93.07035	16.5
95.04983	36.5
95.08600	8.7
97.02894	5.6
97.06539	26.3
97.10186	5.9
98.06878	6.6
98.21484	3.0
105.07034	23.2
107.04966	10.0
107.08600	12.7
109.02892	1.7
109.06546	8.8
109.10158	6.5
111.04438	3.3
111.08101	9.7
113.06046	2.2
115.05444	2.0
117.03349	1.6
117.07014	3.1
119.04960	1.5
119.08596	19.0
121.06522	3.5
121.10152	11.2
123.08093	2.8
125.00024	3.7
125.09661	2.8
127.03920	2.0
129.07022	14.7
131.08578	12.8
133.06479	4.2
133.10149	10.9
137.09686	2.3
142.07782	3.5
145.02852	2.1
145.06474	3.3
145.10161	1.9
147.04419	2.9
147.08064	6.1
147.11681	15.3
149.09642	9.1
157.06482	2.6
157.10133	15.6
163.03810	2.3
165.12782	3.7
171.08038	2.7
175.11188	14.8
177.05504	3.4
184.07347	28.3
189.09264	2.3
189.11182	2.7
193.10472	2.2
193.12262	41.3
195.11685	1.5
199.07515	1.9
211.13271	22.9
213.08936	1.8
229.14415	2.3
235.51645	1.4
249.14876	3.3
249.20993	1.5
255.13766	1.8
260.10098	2.4
267.15930	95.2
285.16962	27.5
286.15454	1.9
312.13086	2.5
313.97855	1.8
338.14807	1.9
349.21790	2.8
355.15497	4.4
356.15814	13.5
367.22745	7.8
373.16678	1.9
374.16797	4.5
385.23737	12.9
390.11804	1.7
403.24741	3.3
433.25851	6.5
441.26486	5.3
459.27374	58.8
477.28525	52.4
548.21674	3.1
548.29517	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	548.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.2
55.01865	7.1
55.05509	19.6
57.00816	1.5
57.03425	7.6
57.07069	1.6
60.08154	2.3
61.02927	4.4
65.03955	1.8
67.05180	2.9
67.05509	40.9
69.03418	1.8
69.07074	23.5
71.04980	2.8
73.02921	1.7
79.05071	3.0
79.05499	32.3
81.03416	6.1
81.06594	2.8
81.07059	45.1
83.04977	5.5
83.08636	13.3
85.02890	6.1
85.06551	2.4
86.09695	5.0
91.05477	30.6
91.06023	2.5
93.07050	43.3
95.04976	5.6
95.08603	23.4
97.02901	4.7
97.06534	16.2
97.10162	5.3
99.08091	2.7
104.10737	6.8
105.07036	25.6
107.08600	23.9
109.06496	5.1
109.10162	20.2
111.08064	3.4
117.07002	7.9
119.08591	24.1
119.89182	1.7
121.10121	19.4
123.11696	3.5
124.99995	4.1
125.09624	3.6
129.07059	5.2
131.08574	11.7
132.40350	1.7
133.10146	20.1
135.11720	15.6
137.09602	2.8
137.13237	2.3
143.08542	5.2
145.10153	9.3
147.11691	27.7
149.09679	2.4
149.13240	9.6
151.11165	3.6
153.12717	1.9
157.10127	4.5
159.11697	10.7
161.13274	14.7
163.14862	2.7
165.12756	3.4
171.11667	4.4
173.13275	5.2
175.14825	4.6
177.12668	2.1
179.14343	4.4
184.07350	13.1
185.13226	5.5
189.12709	2.3
199.14871	2.8
207.13881	2.8
217.19499	2.3
220.75366	1.8
229.14337	17.4
231.20967	3.3
241.19527	9.6
249.22292	2.1
259.20578	25.4
259.23090	2.7
267.15918	1.9
269.17548	2.9
277.21640	34.9
332.78232	1.7
351.25302	100.0
369.26282	8.6
407.30234	2.1
467.65668	2.0
513.30316	2.5
516.30939	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
55.05503	11.8
57.03442	20.0
57.07079	2.0
61.02917	5.3
67.05506	37.3
69.03419	2.4
69.07070	13.7
70.10685	6.0
71.04980	3.8
73.02922	1.9
74.57042	1.7
79.05074	3.0
79.05500	42.7
81.03409	4.2
81.07064	42.8
83.08605	8.3
85.02897	5.6
85.06535	3.2
91.05494	32.2
93.06485	3.6
93.07047	50.0
95.04958	2.9
95.08612	35.8
97.02900	2.3
97.06523	6.8
97.10163	4.1
99.08073	4.7
103.91022	1.6
105.07031	30.3
107.04932	1.7
107.08610	34.8
109.06516	3.8
109.10162	14.4
111.08113	3.0
113.09604	2.3
117.07032	12.5
119.08587	26.0
121.10153	28.3
123.08085	2.7
123.11707	4.3
125.09631	3.5
129.07030	4.8
131.07008	1.9
131.08563	16.9
133.10126	26.6
135.11723	18.8
137.09633	3.3
140.66513	1.7
143.08527	6.7
145.10141	12.8
147.04430	2.9
147.11696	20.5
149.09683	2.1
149.13272	10.7
157.10138	3.8
159.11690	14.3
161.13293	9.6
163.11270	2.0
165.12674	2.6
171.11690	4.7
173.13213	8.3
175.14822	6.0
177.12782	4.0
184.07350	3.4
185.13277	6.4
187.14771	10.5
199.14914	3.6
201.16269	3.8
205.15794	4.8
219.17500	3.0
229.14325	2.6
231.21077	2.0
241.19449	14.1
259.20621	30.0
269.17471	6.4
276.33545	1.8
277.21692	26.6
333.24326	5.7
351.25339	100.0
369.26251	3.9
373.72165	2.0
414.34198	2.1
513.30444	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	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05037	0.5
57.03439	0.5
57.07077	0.2
58.06630	0.3
59.88720	0.1
60.08167	6.0
67.05518	0.8
69.07067	0.6
69.24431	0.7
69.24856	0.6
70.06567	0.1
71.07378	3.5
71.08640	0.2
79.05483	0.4
81.07069	1.0
83.08630	0.5
85.06557	0.1
86.09711	30.1
91.05495	0.2
93.07049	0.4
95.04978	0.2
95.08610	0.8
98.20734	0.3
98.97869	0.3
98.98473	3.5
104.10750	3.0
105.07028	0.3
107.08591	0.8
109.06522	0.4
109.10159	0.4
111.08088	0.2
119.08617	0.4
121.10126	0.5
123.08078	0.7
123.11741	0.2
125.00012	20.4
133.10080	0.2
135.11771	0.2
137.48607	0.1
161.12877	0.1
177.16397	0.2
179.14313	0.7
184.07350	100.0
185.07605	0.2
206.99675	0.2
258.10889	0.2
277.21576	0.3
324.85620	0.1
333.27896	0.8
351.28738	0.4
355.11847	0.1
407.31595	6.0
505.29147	0.2
530.36011	1.2
548.37091	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	549.1242
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
50.71938	0.2
53.03947	0.3
55.01857	0.2
57.03453	0.3
67.05533	0.2
69.03426	1.1
69.39835	0.2
70.06570	0.2
71.04976	0.4
71.53111	0.3
79.05484	0.4
81.03423	1.1
81.07066	0.7
83.04982	0.3
83.08626	0.3
85.02905	3.4
86.03263	0.7
90.75790	0.2
91.05495	0.5
93.07053	0.5
95.04971	0.2
95.08618	0.5
97.02897	1.4
97.06517	0.2
98.14990	0.2
99.04482	1.9
100.04769	0.2
103.03945	4.1
104.04316	0.4
105.07050	0.3
107.04953	0.2
107.08586	0.2
109.02919	1.0
109.06548	0.2
109.10168	0.3
111.04427	0.2
119.08565	0.3
120.89477	0.2
121.06488	0.3
121.10180	0.3
123.04359	0.2
123.08090	1.0
124.08380	0.3
126.41653	0.2
127.03929	4.4
128.04271	0.8
133.10155	0.4
135.04504	0.3
135.08084	0.3
137.05952	0.2
145.04959	2.5
146.05287	0.4
147.11603	0.2
149.06027	0.3
149.09686	0.4
153.01834	0.7
157.10144	0.2
163.03932	0.4
163.06033	2.9
164.06366	0.6
167.10594	0.2
182.15370	0.3
185.13243	0.3
186.95195	0.2
203.10681	0.2
207.13760	0.2
208.14082	0.3
225.14937	0.2
226.15166	0.3
234.66167	0.2
257.04480	0.2
258.05255	11.3
271.08078	0.2
286.04730	34.0
287.04858	0.2
301.07074	100.0
302.07443	0.6
307.10373	0.6
322.37674	0.2
343.04404	0.2
399.10901	0.2
463.12558	2.1
495.31006	0.4
531.27344	0.2
549.12488	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
58.06616	0.3
60.08167	6.7
66.05556	0.1
67.05505	0.5
70.71097	0.4
71.07375	3.2
79.05501	0.3
81.07085	0.3
86.09708	30.8
91.05495	0.3
93.07050	0.3
98.98468	3.0
104.10749	3.6
105.07002	0.3
109.04707	0.2
119.08537	0.2
125.00010	20.1
138.85675	0.2
184.07349	100.0
205.45338	0.2
258.10974	0.2
335.08072	0.2
435.38470	0.2
494.22830	0.2
532.30304	1.7
550.31458	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	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.1
55.05507	0.4
56.05033	0.7
58.06628	0.4
59.07415	0.2
60.08168	6.4
67.05500	0.3
69.45367	0.1
69.84202	0.1
69.84601	0.3
70.06602	0.1
71.07377	3.3
71.08638	0.2
77.55527	0.1
79.05489	0.3
81.03394	0.1
81.07062	0.2
83.08606	0.1
86.09711	31.4
91.05486	0.1
93.07034	0.2
97.10168	0.1
98.98473	3.0
104.10750	5.5
107.08596	0.1
109.10155	0.2
125.00011	21.3
133.10060	0.1
143.01062	0.2
153.06071	0.1
161.08420	0.1
161.46170	0.1
166.32635	0.1
182.52133	0.1
184.07349	100.0
185.07726	0.2
194.02351	0.1
258.10950	0.2
293.21161	0.1
532.30475	1.2
550.31512	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47693	0.6
55.01888	0.7
55.05503	1.4
56.05029	2.0
57.07057	0.7
58.06581	0.9
60.08168	16.9
60.11403	0.6
67.05499	1.6
68.22736	0.7
69.07082	1.0
69.34433	6.1
69.45853	0.6
71.05040	0.7
71.07372	6.8
71.08645	1.1
72.08139	0.9
79.05508	1.9
81.07071	1.9
83.04965	0.7
83.08627	0.7
84.19566	0.7
86.09711	49.6
91.05487	1.5
93.07072	0.9
95.04982	0.7
95.08619	1.1
97.06586	0.8
98.98479	2.8
104.10752	100.0
107.05001	0.8
107.08565	0.9
109.10207	0.9
125.00012	30.2
154.36737	0.8
184.07352	92.3
213.85007	0.8
258.11084	1.4
272.86612	0.8
514.29181	1.4
532.30463	11.1
550.31458	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38493	0.1
55.05500	0.4
56.05029	0.7
58.06330	0.2
58.06625	0.4
59.07389	0.2
60.08166	6.6
67.05497	0.2
69.03429	0.1
69.07059	0.1
71.06987	0.2
71.07373	2.9
71.08633	0.2
71.25220	0.3
71.25572	0.2
75.17992	0.1
79.05479	0.3
80.41895	0.1
81.03403	0.2
81.07058	0.3
83.08643	0.1
86.09708	31.2
91.05481	0.2
92.05779	0.1
93.07044	0.2
95.04897	0.1
97.06499	0.1
97.10198	0.2
98.98466	3.0
103.00818	0.1
104.10752	3.1
107.08600	0.1
107.94336	0.1
113.81361	0.1
117.03404	0.2
121.10150	0.2
125.00009	20.7
145.02904	0.1
147.04445	0.2
177.05466	0.3
184.07344	100.0
185.07733	0.2
239.38867	0.1
258.11057	0.3
411.05142	0.1
532.30383	1.0
550.31482	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	550.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.3
55.05506	1.2
56.05036	1.7
57.03440	0.3
58.06569	1.4
59.07384	0.5
60.08168	17.3
67.05492	1.1
68.61325	0.2
69.07083	1.3
69.58387	0.4
69.58784	1.5
70.06596	0.3
71.07381	6.3
71.08627	0.9
73.14153	0.2
79.05496	1.2
79.38357	0.2
81.03434	0.3
81.07054	1.0
83.08629	0.4
83.60229	0.2
86.09711	52.1
91.05505	0.7
93.07047	0.8
95.04961	0.2
95.08634	0.6
97.06551	0.3
97.10178	0.2
98.98470	3.9
99.08100	0.3
104.10749	100.0
105.07040	0.4
107.08625	0.5
109.10175	0.4
117.06990	0.3
119.08606	0.3
121.10191	0.3
125.00011	27.1
133.10139	0.4
134.88208	0.2
143.01062	0.4
163.01585	0.8
173.04817	0.3
184.07350	90.4
191.99658	0.3
232.78525	0.3
247.74539	0.3
258.11102	0.9
275.20401	0.3
280.73071	0.3
293.21164	0.9
343.22833	0.2
367.25015	0.3
473.22879	0.4
532.30377	6.4
550.31476	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	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16256	0.1
55.05507	0.5
56.05050	0.7
58.06632	0.5
60.08170	7.2
67.05496	0.5
69.07069	0.2
70.06606	0.2
70.09942	0.6
71.07379	3.1
71.08618	0.4
75.76006	0.1
79.05496	0.5
81.03426	0.4
81.07057	0.6
83.04998	0.2
83.08615	0.2
86.09714	33.2
90.25031	0.1
91.05467	0.4
93.07061	0.3
95.08616	0.2
97.06541	0.2
97.10157	0.2
98.98479	2.8
104.10754	15.5
107.08588	0.2
109.10172	0.3
109.99478	0.1
118.07549	0.2
121.10180	0.2
125.00017	21.6
125.91254	0.1
143.01033	0.2
145.02855	0.2
158.99628	0.1
163.11125	0.1
175.66338	0.1
177.05486	0.3
184.07356	100.0
201.67928	0.2
258.11145	0.4
293.21378	0.2
303.05182	0.2
532.30402	2.1
550.31561	12.8
551.27917	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.2
56.05031	0.5
58.06628	0.6
60.08167	5.9
63.84948	0.1
67.05504	0.6
69.03439	0.2
69.07080	0.4
69.81023	0.5
71.07381	3.2
73.62826	0.2
79.05486	0.4
81.03433	0.3
81.07071	0.8
83.08596	0.2
86.09711	29.7
91.05518	0.4
93.07051	0.6
95.04964	0.4
95.08593	0.2
98.98466	2.8
104.10748	5.5
105.07024	0.2
108.75938	0.1
109.10200	0.2
111.04368	0.1
117.07009	0.2
118.67735	0.1
119.08602	0.3
125.00013	21.4
131.08525	0.2
145.10150	0.3
147.11696	0.2
149.09683	0.3
159.11694	0.2
161.89819	0.2
169.33818	0.2
177.05455	0.3
184.07349	100.0
195.84512	0.2
258.11011	0.2
269.16348	0.2
273.63251	0.2
286.70374	0.1
291.19543	1.9
314.10339	0.1
414.91898	0.2
452.24188	0.6
532.30188	1.6
550.31372	5.3
556.35876	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	550.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.3
56.05030	1.0
57.07071	1.5
58.06604	1.8
60.08167	15.4
67.05522	2.9
69.07069	3.0
71.07375	6.6
71.53580	0.8
79.05470	1.6
80.77648	0.5
81.03448	0.7
81.07050	2.5
83.08616	2.3
86.09709	49.6
91.05476	0.6
93.07021	1.5
95.08606	2.2
96.89486	0.7
97.10174	1.4
98.98479	3.6
104.10748	84.3
107.08610	1.2
109.10174	1.8
121.10152	2.0
125.00014	29.9
135.11688	0.9
150.34642	0.7
168.75621	0.5
175.81198	0.6
176.53625	0.6
184.07352	100.0
258.11011	0.7
279.26843	1.8
332.38544	0.6
340.29535	0.7
353.30539	1.3
374.50928	0.7
532.37421	8.8
549.16235	0.6
550.38666	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	550.3868
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	0.4
56.05029	0.6
57.03435	0.2
57.07060	0.2
58.06621	0.5
58.39502	0.1
59.07379	0.2
60.08164	6.1
67.05503	0.6
69.07056	0.4
69.17368	1.1
71.06988	0.2
71.07374	2.9
79.05465	0.2
81.07068	0.5
82.07419	0.2
83.08607	0.2
85.00269	0.1
86.09705	28.3
91.05474	0.1
93.07043	0.4
95.08597	0.4
97.06522	0.1
98.97953	0.1
98.98463	2.5
104.10739	2.8
105.07008	0.2
107.08591	0.3
108.56081	0.1
109.10164	0.3
125.00005	20.1
133.10152	0.2
134.10437	0.2
134.40565	0.1
135.11665	0.1
143.01059	0.2
151.11160	0.3
184.07339	100.0
185.07631	0.1
186.99570	0.1
243.65996	0.1
253.14362	0.2
254.14702	0.2
258.11014	0.3
302.31503	0.1
367.31537	0.1
532.37445	1.2
550.38660	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	550.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	7.8
55.01870	11.9
55.05518	28.9
55.56322	2.8
57.03436	23.0
57.07072	8.9
58.06592	3.4
60.64447	2.9
62.65030	3.2
66.96385	2.7
67.05514	80.6
69.07072	24.8
71.04997	4.7
71.53635	5.7
72.22318	2.9
79.05503	56.3
81.03404	10.4
81.07064	80.3
83.04997	23.1
83.08626	13.6
85.06551	6.0
91.05481	33.5
93.06486	5.7
93.07051	87.3
95.04958	7.6
95.08619	50.2
97.06532	11.8
97.10173	9.9
105.04569	3.1
105.07037	16.6
107.08607	46.4
109.10192	22.8
111.08067	4.3
117.07030	8.5
119.08590	15.6
121.10153	24.2
123.11671	5.2
125.09713	5.0
131.08562	9.3
133.10149	11.9
135.11700	64.5
145.10109	17.9
147.11716	8.8
149.13263	5.5
153.12727	6.3
153.30527	3.4
159.11737	4.4
161.13297	5.8
163.11183	5.5
173.13245	6.1
181.12238	17.8
183.18773	3.1
188.05733	3.1
198.66098	3.1
199.96906	3.1
243.21114	5.0
255.15948	100.0
261.22211	15.9
267.15976	4.5
335.25827	88.0
336.26288	3.4
515.37354	96.5
532.40546	12.2
550.25751	5.3
550.41382	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	551.1034
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.03947	1.6
55.01872	1.7
57.03446	1.0
61.02938	0.9
65.03938	0.1
68.99794	1.3
69.03433	6.1
69.42508	0.2
69.42911	0.7
71.04991	0.9
71.73267	0.1
73.02923	1.7
78.18725	0.1
80.57316	0.1
81.03422	8.1
83.01373	0.2
85.02910	10.9
87.00832	5.6
87.04430	0.2
91.03959	0.5
93.03438	0.2
95.04977	0.2
97.02901	4.1
98.20794	0.2
99.04460	2.9
103.36098	0.1
105.01199	0.2
105.01872	2.9
109.02887	6.5
111.00795	0.7
115.03901	0.2
117.01858	1.2
117.07085	0.1
121.02866	1.1
123.04389	0.3
127.03922	9.9
129.01871	0.9
135.04440	0.1
137.02344	2.8
137.03404	0.2
145.04965	3.6
145.06273	0.2
145.06511	0.2
147.02895	0.8
149.02357	0.5
153.01830	3.6
155.04919	0.2
159.02899	4.0
161.06102	0.2
163.03917	0.5
165.01837	1.6
166.02603	0.2
173.05984	0.3
177.04002	0.2
183.02898	0.7
183.04349	0.2
187.03909	0.2
191.03439	0.2
191.06955	0.1
195.02898	0.3
201.05478	1.5
205.05005	0.2
213.03853	0.2
213.05678	0.2
219.06575	0.3
228.04129	0.2
229.04976	4.0
231.05000	1.5
233.04546	0.1
234.25580	0.1
242.00462	0.1
247.05998	0.7
249.14636	0.1
257.04468	2.8
274.04764	0.8
275.05334	0.2
285.03952	1.1
303.04996	100.0
304.05368	0.6
345.06024	0.2
469.81891	0.1
540.24664	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	551.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
54.01252	0.1
55.01873	1.7
55.05486	0.2
57.03432	1.0
61.02941	1.0
61.99528	0.1
64.71641	0.1
65.03943	0.3
65.47834	0.2
67.05492	0.1
67.13382	0.2
68.99796	1.3
69.03433	6.0
69.03814	0.3
70.06586	0.2
71.01332	0.2
71.04990	0.9
71.51814	0.2
73.02926	1.3
75.25166	0.1
79.05482	0.2
81.03423	7.9
81.07051	0.3
83.01357	0.2
83.04945	0.2
85.02910	11.3
86.03304	0.1
86.72887	0.1
87.00836	5.2
87.04465	0.3
91.03953	0.4
91.05499	0.2
93.03391	0.3
93.07040	0.1
95.04971	0.6
95.08614	0.3
97.02901	4.3
99.04459	2.9
103.03954	0.7
105.01878	3.3
105.07034	0.3
105.42715	0.1
107.04897	0.2
107.08602	0.4
109.02888	6.4
109.06507	0.2
109.10160	0.3
111.00809	0.8
115.03922	0.2
117.01852	1.1
117.07011	0.2
119.08603	0.3
121.02866	0.8
121.10184	0.3
123.04443	0.2
127.03926	10.5
129.01852	0.8
131.04855	0.2
131.08662	0.2
133.02827	0.2
133.10121	0.3
135.04414	0.2
135.97137	0.1
137.02342	2.8
145.04974	3.8
145.06171	0.2
147.02881	0.6
149.02336	0.4
153.01830	3.0
155.04884	0.2
159.02901	4.3
159.04259	0.2
161.05971	0.2
163.03978	0.7
163.06010	0.4
163.11201	0.2
165.01826	1.5
166.02596	0.3
173.04626	0.1
173.06013	0.4
173.13312	0.2
183.02968	0.8
183.04332	0.2
187.03891	0.3
191.14299	0.2
195.02954	0.2
201.05490	1.5
205.04924	0.2
207.02798	0.1
208.21756	0.2
209.15392	0.7
210.15724	0.3
213.03810	0.3
219.06538	0.2
227.12798	0.3
229.04961	3.7
231.05070	1.2
232.03970	0.2
239.03394	0.2
247.06004	0.6
257.04489	2.4
274.04718	0.5
285.03909	1.0
301.91684	0.1
303.04999	100.0
304.05402	0.6
307.10327	0.2
345.06088	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.8
55.01870	7.0
55.05513	1.6
56.30940	1.2
57.03442	3.0
58.42550	1.1
67.05495	3.6
69.03439	11.3
69.07065	5.1
69.54445	8.9
70.06587	2.1
71.04981	5.2
73.02912	2.1
79.05491	3.6
81.03426	14.1
81.07064	6.2
85.02911	56.5
85.06577	2.8
87.00809	2.9
91.05490	2.2
93.07044	7.6
95.04954	1.6
95.08613	6.3
97.02914	12.5
97.06517	6.3
99.04462	36.1
103.03949	70.5
105.01871	1.5
105.07027	5.7
107.08592	19.9
109.02893	12.6
109.06525	4.0
111.08066	1.6
113.06025	3.8
117.07030	1.3
119.08554	2.9
121.06508	2.6
121.10173	6.0
123.08049	3.6
125.05983	1.5
127.03928	68.4
135.11708	3.2
145.04971	36.6
145.10141	7.1
149.09659	3.2
151.07532	4.1
153.01768	2.2
157.08594	1.6
159.02910	1.8
163.03957	2.3
163.06032	32.6
163.11191	17.0
167.10657	6.9
169.05051	1.5
169.08617	59.9
176.71915	1.2
181.12245	11.9
183.84485	1.1
185.11751	3.5
187.06076	2.6
191.10674	6.7
202.47101	1.4
205.07068	3.0
209.11732	10.3
227.12799	100.0
245.13902	2.2
271.08148	2.5
289.09149	3.1
303.04987	48.0
307.10190	5.8
313.63016	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01867	3.7
55.05511	4.3
57.03425	3.8
58.44156	1.2
59.36841	1.1
60.08167	7.2
61.02926	2.8
66.96872	1.2
67.05511	8.0
68.99786	2.4
69.03431	19.9
69.07064	4.8
71.04983	2.8
71.07355	1.7
71.52523	1.2
71.52940	1.4
73.02901	3.7
74.42229	1.1
79.05494	6.4
81.03423	16.8
81.07059	13.2
83.04983	1.2
83.08624	2.3
85.02910	40.1
86.09708	28.2
87.00829	19.8
87.09570	1.3
87.10024	8.3
91.05482	5.4
93.07058	10.5
95.04946	1.5
95.08611	14.5
97.02898	17.7
97.06522	3.5
97.10178	1.7
98.98462	4.0
99.04427	6.1
104.10737	5.2
105.01885	17.7
105.07039	13.5
107.08593	11.2
109.02879	21.6
109.10168	12.9
111.04453	1.4
111.08028	1.6
117.01879	1.8
117.07013	3.2
119.08571	15.0
121.06493	1.4
121.10155	7.0
123.08031	1.4
123.11694	3.1
125.00015	21.8
126.00367	1.6
127.03922	32.4
128.06236	1.4
129.01813	2.1
129.07025	2.3
131.08575	15.2
133.10161	8.4
135.11668	6.7
137.09613	11.7
142.07677	1.7
143.08549	7.1
145.04980	12.8
145.10124	18.2
147.11691	9.9
149.13286	3.5
155.08606	6.1
157.10150	11.6
159.02901	9.6
159.11726	11.8
161.09602	2.2
161.13281	10.7
163.03891	1.2
163.11227	2.1
163.14812	3.3
169.10204	6.6
171.11685	6.9
173.13281	8.8
175.11147	2.7
175.14763	1.9
177.12708	2.5
179.14255	3.3
181.10110	2.1
183.11758	4.0
184.07352	100.0
185.07709	24.9
185.13300	7.0
187.14812	5.1
189.03915	1.7
189.12752	1.5
189.16350	2.5
191.14119	2.0
195.11615	1.3
197.13231	4.4
199.14815	4.6
201.16402	7.3
203.14162	1.3
211.14839	7.2
213.03967	1.7
213.16360	2.0
219.17467	3.8
225.16435	7.1
227.17955	8.4
229.15881	3.6
231.04979	8.6
239.17920	1.4
241.19487	4.1
243.21056	2.3
245.19017	4.8
255.21094	4.3
257.22607	1.4
264.89905	1.1
264.98026	1.1
267.21100	32.2
269.22580	4.5
273.22083	2.8
285.22141	44.0
303.23196	46.1
309.22028	1.6
353.56424	1.2
393.23788	1.3
533.28613	2.7
551.29651	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	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95137	0.1
54.64756	0.1
55.01863	0.2
55.04855	0.1
55.05505	0.3
56.05037	0.7
57.03428	0.1
58.06628	0.4
59.07374	0.1
60.08167	6.0
60.53574	0.1
67.05496	0.4
69.07045	0.1
71.07375	2.7
71.12646	0.2
71.12982	0.1
75.40605	0.1
76.83401	0.1
77.04985	0.1
79.05493	0.2
81.07046	0.4
83.04987	0.1
83.08633	0.1
86.09708	30.2
91.05495	0.2
93.07050	0.4
95.04968	0.2
95.08609	0.3
97.06556	0.2
98.98465	2.9
104.10751	5.0
105.07007	0.1
107.04929	0.1
116.99528	0.1
121.10191	0.1
125.00009	20.9
139.53152	0.1
146.21040	0.1
151.11180	0.3
166.02684	0.1
173.41283	0.1
184.07346	100.0
185.07710	0.1
258.11084	0.3
293.21048	0.5
398.92084	0.1
452.24088	1.0
489.57831	0.1
516.31238	0.2
534.31982	1.7
552.33063	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	552.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05039	0.4
58.06366	0.2
58.06631	0.5
60.08170	6.0
67.05498	0.2
69.07082	0.2
70.03014	0.6
71.07382	2.8
77.20166	0.1
79.05479	0.2
81.07056	0.3
83.08595	0.1
86.09711	29.2
93.07051	0.2
95.08625	0.2
98.98482	2.6
104.10745	4.2
118.15076	0.1
118.81437	0.2
125.00010	19.0
134.98807	0.1
139.47511	0.1
143.01053	0.2
148.78853	0.1
184.07350	100.0
185.07669	0.2
258.11069	0.2
282.64120	0.2
434.22330	0.2
452.24261	1.1
534.24933	0.2
534.32025	2.1
552.33112	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	552.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57481	0.1
55.01880	0.2
55.05508	0.4
56.05032	0.5
57.03433	0.2
58.06351	0.2
58.06623	0.4
59.07391	0.3
60.08168	5.9
67.05505	0.4
69.03431	0.2
69.07064	0.3
70.47205	0.3
70.47592	0.3
71.07375	2.5
71.08661	0.2
79.05493	0.5
81.03425	0.5
81.07066	0.4
83.05003	0.2
83.08644	0.2
85.02905	0.4
86.09713	28.3
87.10046	0.3
89.84333	0.1
91.05476	0.2
93.07043	0.4
95.08614	0.4
97.06532	0.4
97.10156	0.3
98.98476	2.8
100.85345	0.1
104.10748	3.4
105.07054	0.2
107.04977	0.2
107.08602	0.3
108.10085	0.1
109.02877	0.2
109.10162	0.3
120.91048	0.2
121.10166	0.2
123.53109	0.1
125.00014	20.6
125.09649	0.3
127.00488	0.2
127.03982	0.3
131.08568	0.2
135.11742	0.2
145.02907	0.3
177.05522	0.3
184.07353	100.0
185.07668	0.8
186.07878	0.5
208.81577	0.1
218.87450	0.1
239.58891	0.1
254.33336	0.2
258.11124	0.2
304.20029	0.2
304.23611	0.2
315.49799	0.2
327.21140	0.1
421.52188	0.1
516.31061	0.2
534.32062	5.3
552.33124	7.1
553.30066	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	552.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05026	0.6
57.03439	0.2
58.06613	0.4
59.07371	0.2
60.08167	6.8
63.29145	0.1
67.05492	0.5
69.03424	0.2
69.07058	0.2
69.84645	0.7
71.07374	2.8
79.05506	0.3
81.03415	0.3
81.07050	0.6
82.64651	0.1
83.08614	0.2
85.02869	0.2
86.09708	31.5
91.01323	0.1
91.05478	0.3
93.07048	0.4
95.04951	0.2
95.08601	0.3
97.06526	0.5
97.10183	0.1
97.96751	0.2
98.98461	3.0
98.99062	0.3
99.74453	0.1
104.10744	11.6
105.07005	0.2
107.04943	0.3
107.08604	0.4
109.10111	0.2
125.00007	21.3
125.09669	0.1
127.03952	0.3
143.01099	0.2
146.24879	0.1
154.63274	0.2
155.13206	0.1
155.59119	0.2
184.07343	100.0
185.07724	0.2
195.99883	0.1
221.80287	0.1
258.10980	0.4
428.80209	0.2
452.24164	0.9
516.31299	0.4
534.31909	3.5
552.33215	7.5
553.30493	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05046	0.6
58.06596	2.4
59.07379	2.1
60.08171	5.8
61.18328	0.5
67.05482	0.6
71.07368	2.0
71.52571	0.6
73.06553	0.5
79.05492	1.0
86.09713	28.1
96.18842	0.5
97.06612	0.6
98.98470	2.4
104.10754	11.4
124.99100	0.9
125.00013	16.7
137.06068	0.5
149.02382	1.1
161.86424	0.5
168.04054	0.5
184.07353	100.0
193.04971	0.9
210.08963	0.7
243.86572	0.5
290.12677	0.5
424.20892	1.2
434.23053	0.6
464.23962	1.6
518.32794	2.3
534.31549	0.7
552.28369	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	552.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40997	0.7
51.25483	0.6
53.03936	1.0
55.01856	0.6
55.05517	4.8
57.03439	1.2
57.07068	0.6
58.06595	0.6
60.08166	6.0
67.05505	4.1
69.03423	2.0
69.06730	0.9
69.07076	10.3
70.06590	1.8
70.15707	1.3
70.16106	1.4
70.46751	0.8
71.04977	0.9
71.07362	3.4
73.77709	0.7
79.05490	3.4
81.03398	2.2
81.07063	7.6
83.04977	2.7
83.08625	1.2
85.02895	2.5
86.09711	30.0
91.05476	2.5
93.07052	8.7
95.04967	1.9
95.08604	7.8
97.02901	0.8
97.06535	2.6
97.10175	9.1
98.98481	3.4
99.04455	0.9
104.10739	5.6
105.07040	4.3
107.08611	6.1
109.02894	0.9
109.06496	1.9
109.10173	6.1
111.04453	0.8
111.11717	3.0
117.07072	0.8
119.08593	3.6
121.10157	6.5
123.08044	1.1
123.11723	3.2
124.99093	1.2
125.00008	19.2
125.09681	0.7
127.03894	1.8
129.06993	0.6
131.08534	1.5
133.10110	2.0
135.08083	1.0
135.11678	4.9
137.05984	1.5
137.09587	1.2
139.11195	8.1
145.04933	0.7
145.10144	2.5
147.11646	1.6
149.09662	1.1
149.13283	1.5
151.11276	0.8
153.12675	0.8
157.10139	0.9
157.12271	4.2
159.11699	1.5
161.09586	0.7
161.13344	0.9
163.03935	0.8
163.11192	1.7
163.14844	0.8
173.13300	1.0
184.07352	100.0
185.07776	0.7
196.13254	0.8
203.12759	1.7
241.09717	0.7
273.22064	1.8
275.20010	1.2
291.23108	4.3
293.21158	9.0
301.21539	4.5
305.17508	0.7
319.22745	8.9
325.23840	2.0
337.23752	12.4
355.24615	1.6
534.29907	1.4
552.29309	10.6
553.22394	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
55.05514	12.4
56.42031	1.3
57.07056	3.1
60.23983	1.1
65.03934	2.1
67.05139	1.4
67.05505	23.7
69.07072	13.4
70.64494	1.3
71.04968	1.5
71.08616	2.0
71.53431	1.2
71.53821	1.4
77.03928	1.7
79.05495	49.4
80.53430	1.2
81.03421	3.1
81.07060	27.6
83.04966	2.0
83.06489	1.2
83.08625	6.7
91.05485	22.3
93.07046	67.6
95.04961	3.3
95.08610	20.1
97.06522	1.4
97.10147	4.5
105.04458	1.7
105.07028	11.2
107.08595	31.9
109.10167	11.3
111.04405	2.3
111.08059	2.2
117.07026	2.1
119.08575	10.4
121.10146	30.3
123.11690	1.7
125.98151	1.1
129.06982	1.3
131.08557	4.7
133.10115	10.5
135.11703	34.5
143.08557	1.8
145.10121	2.1
147.11678	7.2
149.13280	15.9
153.12703	1.3
157.10150	1.6
159.11685	3.3
161.13251	3.7
163.11211	2.8
163.14833	3.5
171.11658	2.7
173.13197	2.1
175.14825	2.4
181.12201	2.5
182.30190	1.0
184.05310	1.1
185.13258	1.7
191.10686	1.3
193.12323	1.6
195.13791	2.4
199.14772	1.3
207.13753	1.9
213.16402	1.5
217.19904	1.1
221.15282	2.6
227.12784	5.5
231.17627	1.3
235.16765	2.8
241.14375	11.8
241.19496	2.6
259.20532	3.5
267.15884	1.8
268.16031	2.2
277.21628	100.0
341.30283	1.8
342.30524	1.6
374.25757	1.6
374.76010	1.8
447.44977	1.2
534.42255	2.0
552.40515	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	552.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01853	1.5
55.05518	11.0
55.48302	1.3
57.07075	3.6
65.03925	1.9
67.05509	24.5
67.57170	1.3
69.07082	11.9
69.16174	8.8
69.16603	5.0
74.15298	1.2
76.86369	1.2
79.05497	50.9
81.07060	32.7
83.04961	2.3
83.08627	6.5
85.06540	2.9
89.64516	1.3
91.05482	21.6
93.07048	67.1
93.07642	3.4
93.61646	1.3
95.04945	2.0
95.08613	24.1
97.06471	3.0
97.10165	2.2
105.07025	13.8
107.07883	2.1
107.08601	41.3
109.10169	11.5
111.08112	1.4
117.07024	3.6
119.08580	12.5
121.09335	2.6
121.10154	35.2
123.08083	2.3
129.07016	1.7
131.08591	6.5
133.10129	12.8
135.08076	1.5
135.11696	38.0
137.09608	1.4
145.10078	5.6
147.11650	9.9
149.09622	2.5
149.13274	23.3
151.11166	1.2
157.10094	2.0
159.11684	3.9
161.13260	7.1
162.93648	1.3
163.11230	2.9
163.14810	6.3
171.11665	2.4
173.13298	3.1
175.14769	4.0
177.12772	2.0
179.79326	1.7
179.81053	1.4
181.12233	2.0
185.13239	3.3
191.10561	1.4
199.14734	2.8
203.14317	1.4
227.12816	6.9
231.17690	1.4
241.19493	6.8
259.20615	9.7
291.23206	100.0
438.74133	1.5
552.39642	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	553.2765
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
50.77940	0.6
66.23775	0.6
70.97716	1.6
72.70769	0.6
88.79128	0.6
95.08604	0.7
98.97582	1.2
109.10126	0.7
217.05710	0.6
317.17911	0.8
319.94257	0.7
545.94202	0.9
553.27753	100.0
554.28400	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2989
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54269	0.3
70.05969	0.6
70.06358	0.6
72.85961	0.3
75.59142	0.3
79.05494	0.4
81.07043	0.4
86.09728	0.4
91.05477	0.5
95.08609	0.6
97.06512	0.8
105.51125	0.3
157.04736	0.5
163.03926	0.6
179.47952	0.3
184.03342	0.5
184.07373	1.1
185.04243	2.9
201.03716	1.4
205.02834	0.3
219.21295	0.3
259.07642	0.4
275.07281	0.6
301.09000	0.4
317.19702	0.4
331.09970	2.9
345.11563	0.7
359.13046	0.7
373.14655	0.5
391.24634	1.4
401.17664	0.4
409.24988	0.4
415.19412	0.8
441.21054	0.4
451.69812	0.4
455.22531	0.5
483.22067	1.5
535.28625	0.6
553.29846	100.0
554.30859	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2988
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
61.34311	0.3
67.05515	0.5
67.74170	0.4
68.15170	0.3
69.24654	2.9
81.07072	0.4
83.01104	1.1
86.09720	0.5
93.07082	0.4
95.01078	0.5
95.21408	0.3
96.01910	0.3
97.06539	1.5
104.10722	0.4
124.99966	0.5
125.76764	0.3
135.04431	0.3
139.03827	0.3
143.08632	0.3
143.10559	0.3
156.03973	0.6
157.04750	0.4
161.06049	0.4
163.03957	0.7
184.07375	1.6
185.04207	1.0
201.03720	1.6
203.05360	1.8
215.07004	0.7
217.62466	0.3
231.10043	0.5
259.07733	1.9
317.19592	0.9
331.10117	2.4
331.98322	0.3
359.13031	0.7
373.14917	0.7
384.12820	0.3
387.12430	0.5
391.24423	1.3
401.17731	0.5
415.19598	1.4
455.22314	0.7
483.22168	1.9
535.28595	0.7
553.29865	100.0
554.29852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01857	4.7
55.05498	6.4
57.03430	5.0
57.07056	1.6
60.08168	7.3
61.02909	4.2
61.08490	1.6
62.01191	1.2
63.13470	1.3
65.03924	1.5
67.05502	15.6
68.99783	2.2
69.03088	2.1
69.03429	28.4
69.07076	9.5
71.04980	5.6
71.07343	2.4
73.02895	2.4
79.05492	11.5
81.02942	1.7
81.03423	27.6
81.07064	31.6
83.04984	2.0
83.08604	3.9
85.02910	56.8
86.09711	28.2
87.00838	26.6
87.10023	6.3
91.05491	9.5
93.07052	14.9
95.04969	4.6
95.08070	1.7
95.08613	20.5
97.02294	2.2
97.02883	17.8
97.06526	4.7
97.10163	2.9
98.21554	2.6
98.98483	3.0
99.04468	12.1
104.10735	4.6
105.01875	22.5
105.07035	19.8
107.04937	2.0
107.08602	21.4
109.02888	22.0
109.06506	2.2
109.09472	2.0
109.10163	23.0
111.08112	1.8
117.06988	3.9
119.08596	26.6
121.10148	20.0
123.08091	2.6
123.11723	13.9
125.00018	21.5
125.09622	3.2
126.00343	2.8
126.27355	1.3
127.02984	2.5
127.03926	49.4
129.01831	1.6
129.07037	2.5
131.08540	8.4
133.10135	13.7
135.11734	10.8
137.13255	2.1
139.11137	3.1
143.08556	4.6
145.04967	10.2
145.10143	11.8
147.02892	1.6
147.04227	1.5
147.11700	22.7
149.13239	11.6
151.11148	2.2
157.10129	5.5
159.02869	4.4
159.11726	13.1
161.13272	32.6
163.11205	2.0
163.14828	11.6
165.12746	2.6
169.29750	1.4
171.11697	5.3
173.13216	7.7
175.14825	5.4
179.14363	8.8
183.11511	1.8
184.07353	100.0
185.07690	23.4
185.13297	5.6
186.07709	1.8
187.14734	6.5
189.04048	1.7
189.16399	3.9
191.14279	2.6
199.14801	5.4
201.16321	3.1
203.14313	2.0
213.04022	2.6
213.16388	8.6
215.18037	2.1
225.16467	2.2
227.17900	4.4
229.19582	2.2
231.05023	22.2
241.19522	2.3
243.21083	4.3
251.12717	2.0
269.13577	4.1
269.22678	30.0
269.25546	2.1
271.24200	5.9
275.23660	1.8
287.23703	49.3
294.21185	1.7
305.24780	30.1
307.15228	2.8
312.51093	1.4
315.23105	4.6
325.16141	2.6
413.26788	2.6
499.26941	2.1
517.27942	2.8
535.30048	5.9
553.29767	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39848	2.3
53.03948	12.2
55.01882	10.2
55.05516	19.6
57.03443	10.7
57.07080	5.6
61.02919	9.0
65.03930	2.6
67.05512	18.9
68.99786	7.8
69.00140	1.9
69.03090	3.6
69.03437	54.9
69.07071	20.8
69.40399	5.6
69.40817	11.1
70.06553	2.3
71.04994	12.0
72.65726	2.3
73.02923	4.5
79.05489	10.9
80.06284	2.5
81.03424	62.9
81.07065	38.7
83.04967	3.6
83.08611	16.6
85.02912	90.4
85.06551	4.7
87.00835	41.2
91.05473	15.2
93.07050	33.7
95.04964	6.0
95.08613	52.2
97.02898	32.2
97.06542	6.4
97.10153	7.3
99.04456	18.9
99.08073	3.3
101.06001	3.0
103.03933	2.6
105.01871	28.5
105.07039	32.0
107.08604	54.5
109.02891	55.4
109.06470	2.8
109.10168	46.6
111.04439	5.2
111.08047	2.3
111.11695	3.7
115.03934	2.9
117.01833	4.6
117.07017	4.8
119.08596	43.3
121.10144	45.5
121.45051	2.2
123.11694	13.1
125.06027	2.4
125.09684	2.5
127.03927	100.0
129.01805	9.2
129.06929	2.6
129.09113	2.5
131.08572	10.0
133.10138	39.4
135.08012	2.6
135.11711	22.8
137.09633	4.6
137.13235	5.8
141.05501	1.9
142.07809	3.1
143.08580	7.6
143.10651	3.3
145.04961	21.2
145.10124	22.3
147.02901	5.9
147.11685	27.1
149.13277	23.2
157.10139	10.2
159.02924	16.1
159.11700	29.7
161.13286	23.6
163.11136	3.8
163.14810	32.3
169.10168	3.9
171.11719	14.5
173.04472	4.3
173.13271	20.6
175.14861	18.7
177.12836	5.0
177.16402	43.2
179.14302	4.0
183.11717	3.1
184.07353	3.3
185.13239	11.2
187.14847	16.3
189.03935	2.8
189.16414	41.3
191.14319	7.8
191.18047	12.9
197.13287	2.4
199.14789	13.3
201.16408	16.0
203.14368	4.9
205.15878	4.6
205.19505	3.2
207.17442	4.1
209.15341	5.6
211.14731	2.6
213.03957	8.0
213.16429	20.2
215.18010	5.9
217.15924	4.0
217.19571	20.6
219.08069	2.0
221.15340	7.5
225.16353	2.1
227.17928	8.7
229.19586	7.1
231.04988	26.7
231.17493	3.0
241.19530	3.7
243.21155	6.3
245.22734	7.3
249.06017	2.9
257.22647	5.6
259.24246	9.1
267.21085	3.5
269.22647	60.1
271.24289	4.7
275.23676	3.2
285.22324	2.3
287.23718	61.2
303.23053	4.6
305.24786	87.4
352.76764	2.6
395.25821	5.9
499.26459	2.9
517.28107	3.9
535.28394	4.9
553.30383	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	553.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	14.4
55.01866	10.3
55.05523	19.1
55.37427	2.2
57.03428	9.4
57.07064	7.9
61.02916	8.5
67.05505	21.7
68.99794	7.0
69.03433	61.0
69.07069	19.8
69.34908	19.9
71.04985	10.3
73.02912	8.2
79.05513	12.7
81.03419	61.7
81.07059	54.2
83.04988	3.0
83.08630	10.7
85.02911	99.0
85.06539	4.6
87.00836	37.6
91.03941	2.8
91.05488	16.5
93.07041	35.7
95.04962	4.2
95.08062	4.0
95.08607	50.4
97.02905	37.5
97.06522	7.6
97.10155	7.1
97.34715	2.2
99.04473	24.1
99.08060	3.7
99.73989	2.3
104.10763	2.3
105.01866	35.9
105.07037	37.6
107.08602	46.8
108.09011	2.1
109.02885	52.1
109.06528	3.5
109.10165	43.4
111.04442	4.0
111.08107	4.1
115.03963	3.6
115.07564	3.5
117.01817	3.6
117.06983	5.2
119.08588	48.2
121.10152	46.7
123.11731	31.0
125.09625	3.0
127.03928	100.0
129.01813	8.4
129.07007	2.9
131.08560	13.9
133.06482	2.1
133.10135	33.7
135.08165	3.5
135.11687	22.8
137.09633	2.8
137.13255	5.5
139.11176	5.2
142.07768	2.6
143.08542	10.2
143.10680	3.9
144.09375	3.5
145.04956	23.1
145.10132	26.4
147.02907	5.8
147.11702	43.5
149.13274	20.4
157.10150	14.4
159.02930	15.7
159.11711	33.8
161.13258	40.6
163.11183	5.7
163.14841	38.6
165.12787	5.5
170.11075	3.2
171.11734	10.9
173.13249	22.2
175.14856	20.7
177.12772	5.5
177.16420	24.2
179.14297	16.4
183.11708	2.9
184.07315	10.2
185.07716	2.4
185.13258	14.8
187.14836	18.3
189.16403	22.9
191.14366	8.5
191.17957	9.9
199.14784	17.7
201.16364	19.0
203.14342	5.5
203.17970	2.6
205.15759	3.1
209.15372	5.7
213.03932	7.8
213.16377	18.3
215.17966	5.5
217.15857	5.1
217.19576	20.9
221.15344	6.1
227.17979	7.9
229.19542	7.4
231.05037	35.1
231.17493	3.6
241.19695	3.4
243.21034	9.9
245.22670	7.1
249.06100	3.7
257.22635	4.3
259.24161	7.7
267.20987	3.0
268.61295	2.1
269.22662	67.5
271.24200	8.5
275.23569	2.8
277.25406	2.6
287.23697	68.5
303.23166	3.6
305.24765	81.5
329.24924	3.4
395.25989	4.3
499.27124	2.9
517.28125	4.6
521.21295	5.5
535.28882	4.3
553.30237	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	553.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.9
55.01875	3.0
55.05518	1.7
57.03441	2.6
58.26321	1.1
60.08169	5.5
61.02933	2.7
67.05518	6.9
68.00827	1.0
69.03439	17.5
69.07059	3.7
69.22066	2.7
69.22473	8.5
71.04993	3.3
71.07391	2.2
73.02911	1.9
76.34283	1.1
79.05488	4.7
81.03416	11.9
81.07067	12.6
83.08613	4.7
85.02912	39.8
86.09712	17.7
87.00841	20.1
87.10072	5.1
91.05485	4.4
93.07033	8.8
95.08620	8.6
97.02898	18.8
97.06530	4.4
97.10183	2.2
98.98533	1.5
99.04450	5.4
99.08099	2.7
104.10759	32.1
105.01874	24.1
105.07034	6.9
105.11070	7.2
107.04932	1.4
107.08606	8.5
109.02232	1.6
109.02886	16.3
109.10159	8.3
111.04430	1.2
117.01856	1.5
117.07006	3.5
119.08579	4.4
121.10150	9.2
123.11719	4.3
125.00013	10.2
127.03933	29.8
129.01897	1.7
131.08577	5.7
133.10147	8.3
135.11696	7.2
137.09619	1.5
137.13203	1.0
143.08551	1.3
145.04973	10.2
145.10149	4.9
147.11690	4.6
149.13271	3.5
157.10219	1.6
159.02887	4.8
159.11716	6.5
161.13240	3.2
163.03932	2.9
171.11742	1.2
173.13249	8.9
175.14857	4.4
177.12770	3.6
184.07352	34.0
185.07703	7.4
187.14873	3.0
189.03934	1.8
189.16322	3.0
191.14310	2.6
201.16399	2.4
203.17967	4.3
205.15910	1.1
213.03969	2.2
213.16348	3.4
229.19533	19.4
231.04991	7.0
231.17436	1.6
247.20581	28.3
249.06096	1.4
259.09509	2.5
269.22659	7.2
287.23749	21.3
305.24768	100.0
341.55237	1.1
346.27481	5.3
349.24719	1.2
452.23877	1.4
453.24350	4.2
474.70847	1.1
481.77905	1.2
517.31494	1.6
535.32611	5.8
553.29254	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	554.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05507	6.4
57.07062	3.3
58.08787	1.4
59.94912	1.3
60.26740	1.4
63.80162	1.5
65.03934	2.0
65.17145	1.4
65.27148	1.3
67.05510	96.7
69.07080	10.6
72.80041	1.6
78.69676	1.6
79.05498	10.3
81.07059	100.0
83.08620	5.2
87.04466	2.9
89.06039	3.0
91.05484	5.8
93.07059	12.2
95.08611	80.6
97.06528	1.7
97.10168	3.6
105.07051	3.7
107.08599	8.0
109.10152	28.2
111.04478	1.4
117.06987	1.8
119.08598	3.9
121.10136	8.8
123.08106	1.7
123.11699	20.7
131.08554	6.5
133.10152	2.5
135.08038	1.8
135.11693	6.1
137.13258	18.0
145.10216	3.2
147.11676	3.5
149.09557	1.7
149.13260	4.6
151.11224	1.8
151.14836	6.6
156.20253	1.5
159.11717	3.3
161.13203	2.2
163.11162	2.3
163.14827	4.2
167.10773	1.8
169.12415	1.6
173.13254	8.4
177.12712	2.3
179.14349	2.9
181.12257	1.7
187.14822	4.2
188.27507	1.4
191.14368	2.7
195.13847	2.6
200.06322	1.7
200.39326	1.4
209.15359	8.8
223.16931	3.9
227.12808	1.7
229.53952	1.7
237.18315	1.7
241.14394	6.7
243.21143	5.0
261.22180	5.5
279.23203	96.4
476.55029	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	554.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.05514	8.0
57.07077	3.2
57.87095	1.3
59.42997	1.4
65.03933	2.4
67.05505	85.6
69.07069	7.6
72.07703	1.4
79.05493	12.1
81.07059	100.0
83.08627	7.9
85.06532	3.3
89.06037	2.3
91.05481	5.3
93.07062	13.1
95.08611	78.2
97.06517	2.8
97.10137	3.8
98.21509	6.3
105.07037	4.4
107.08604	12.0
109.06490	2.4
109.10161	32.0
111.08068	1.8
117.07025	3.0
119.08569	6.3
121.10154	10.4
123.08040	2.5
123.11706	18.4
131.08589	8.6
133.10124	4.2
135.11681	7.5
137.09605	1.7
137.13269	12.5
145.10165	4.2
147.11690	4.4
149.09665	2.5
149.13280	4.1
150.17058	1.4
151.11191	2.5
151.14824	4.9
159.11668	6.0
161.13252	3.6
162.01550	1.4
163.11153	1.9
163.14804	4.4
165.12758	1.7
173.13286	8.7
177.12737	3.6
177.16379	3.9
179.14305	1.9
180.39313	1.3
187.14841	5.4
191.14355	1.8
195.13794	3.6
205.15845	2.6
209.15396	1.9
211.16911	1.6
217.19783	1.5
223.16949	3.5
227.12718	3.1
229.77863	2.0
237.18483	3.9
243.21051	12.1
261.22153	17.2
278.58810	1.5
293.24753	68.2
388.83972	1.4
389.26651	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2523
Annotation	Pantethine
Peak:m/z	Relative Intensity
55.01875	1.1
57.07077	0.8
57.94612	0.5
58.99592	1.1
62.48195	0.5
69.07056	0.8
69.96481	2.8
70.06596	0.8
71.04998	0.9
71.06125	13.9
72.04520	2.1
72.08132	0.7
73.02921	1.1
76.02229	1.0
77.00636	13.5
79.05479	0.6
80.47290	0.6
81.03462	1.0
84.04524	1.9
85.02921	0.7
85.06538	1.5
86.06080	1.7
86.09734	1.3
87.14724	0.7
91.05489	1.2
92.24191	0.6
95.04993	2.0
98.02409	1.2
99.05581	2.4
100.07619	1.7
102.03800	0.9
103.03926	0.9
106.04151	0.7
107.99418	3.9
109.02824	0.9
112.07595	0.8
113.06036	1.0
114.05516	1.1
118.03252	46.7
121.06504	1.0
124.07620	2.9
127.03907	1.7
130.03241	23.9
132.04826	0.7
142.08652	6.5
143.08153	1.0
147.05882	100.0
149.07443	3.2
150.00456	1.6
150.18085	0.6
157.04344	1.0
157.11041	1.2
159.05911	1.8
163.03986	0.7
165.02568	0.7
166.08589	0.6
173.03841	1.1
175.05405	2.4
183.11447	1.2
184.09665	3.5
195.06305	2.0
202.10600	1.2
207.06284	3.8
209.08197	0.7
210.08492	0.9
213.12375	1.6
220.88065	0.6
224.08864	5.9
237.07245	1.6
249.07187	1.5
256.90048	0.6
259.11172	2.9
260.08945	0.7
266.09979	6.7
266.81070	0.8
277.12057	0.9
278.09930	14.4
295.12604	86.2
303.05182	0.8
305.11084	1.4
389.16815	0.8
390.15265	0.7
407.17853	14.7
425.18900	58.9
511.18100	0.7
537.16150	1.2
537.24084	15.5
555.15649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.74840	0.3
55.01866	0.9
55.05508	1.4
56.44423	0.3
57.03425	0.4
61.02913	0.3
67.05523	1.8
69.03437	2.4
69.07063	1.2
69.46838	1.1
69.47269	0.9
71.04990	0.4
79.05489	1.4
81.03429	1.8
81.07056	2.9
82.89513	0.3
83.05000	0.3
83.08623	0.9
84.04491	0.4
85.02911	4.7
86.09732	0.3
87.00828	2.3
91.05470	1.6
93.07057	2.4
95.04952	0.7
95.08054	0.5
95.08612	4.0
97.02896	1.4
97.06561	1.4
97.10219	0.4
99.04437	0.6
105.01883	1.3
105.07030	2.2
107.08590	3.2
109.02876	1.9
109.06520	0.8
109.10170	4.2
111.08134	1.9
111.08788	0.3
117.07027	0.4
119.08598	3.1
120.08059	0.4
121.06486	0.4
121.10149	2.8
123.11681	0.4
125.09636	1.6
127.03917	2.9
131.08588	1.3
133.10156	1.9
135.08063	0.7
135.11697	0.7
137.09607	0.7
139.11166	0.3
142.07759	0.3
143.08586	1.5
145.04976	0.6
145.10136	2.5
147.08090	0.8
147.11702	1.7
149.09625	0.4
149.13205	0.6
153.09138	0.7
155.08569	0.6
157.10123	2.8
159.02950	0.6
159.08110	0.4
159.11697	3.9
161.09689	0.4
161.13261	5.5
163.11172	1.1
165.09132	0.6
166.09416	0.5
168.09351	0.3
169.10164	1.0
171.11739	1.8
173.09682	0.8
173.13283	2.1
175.11194	1.9
175.14828	1.4
177.05450	0.7
177.12712	1.1
183.11732	1.7
185.13254	1.0
186.10371	0.3
187.11227	0.6
187.14784	1.5
189.12747	0.9
195.11591	0.4
197.13261	2.3
198.13976	0.6
199.87260	0.3
201.12750	1.0
201.16446	0.3
203.14467	0.4
209.13235	0.4
211.14845	2.8
213.16394	8.1
215.14314	1.0
219.13760	0.4
224.15660	0.3
225.16315	0.9
227.17986	1.0
229.15852	1.2
229.19495	0.5
231.05089	0.5
231.17381	1.2
236.01105	0.3
238.17201	0.4
240.18736	0.8
241.16057	0.3
243.21149	0.9
253.19568	3.6
267.08981	0.4
271.20605	9.2
289.18350	0.8
289.21643	22.4
307.22693	100.0
308.22873	0.5
340.25455	0.5
357.08746	0.3
441.11929	0.3
555.20178	0.5
555.27362	1.4
567.85620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01863	0.7
55.05508	0.9
57.03440	0.4
57.07075	0.5
61.21116	0.3
63.46615	0.3
67.05517	2.6
69.03434	3.0
69.07056	1.1
70.06596	0.4
71.04987	0.5
71.52850	0.4
73.02917	0.3
79.05486	2.3
81.03418	2.1
81.07067	3.3
83.08603	0.8
85.02906	4.4
86.09727	0.4
86.76469	0.3
87.00838	2.0
89.06031	0.9
91.05485	1.7
93.07055	2.3
95.08608	4.7
97.02889	1.6
97.06529	1.0
97.10162	0.6
99.04446	0.9
100.11275	0.6
105.01861	1.3
105.07030	2.2
107.04941	0.5
107.08599	5.0
109.02886	1.9
109.06528	0.4
109.10167	5.4
111.04465	0.3
111.08073	1.2
111.84843	0.4
117.07064	0.3
119.08589	2.4
120.08134	0.3
121.06501	0.5
121.09339	0.4
121.10156	3.9
123.08074	0.5
123.11704	1.2
125.09659	2.7
127.03925	2.3
129.06989	0.3
131.08554	1.7
133.08609	0.5
133.10132	1.9
135.08080	1.6
135.11697	1.0
143.08546	1.1
145.04941	1.1
145.10159	2.4
147.08049	1.1
147.11694	1.6
149.09581	0.7
149.13318	0.5
151.11221	0.7
153.09119	1.4
155.08574	1.0
156.09348	0.3
157.10178	1.7
159.02861	0.7
159.08087	0.4
159.11662	2.5
161.09653	0.9
161.13249	1.9
163.03922	0.3
163.11102	1.6
169.10146	1.0
171.11694	1.5
173.09703	0.5
173.13255	2.1
175.11157	1.4
175.14877	0.6
177.12703	2.2
183.11655	0.9
185.13225	1.5
187.11198	1.1
187.14807	1.9
189.12706	1.6
197.13258	2.1
199.14819	0.3
201.12738	1.1
203.14381	1.0
211.14915	1.8
213.16426	3.0
215.14365	1.5
219.13751	0.6
225.16309	0.5
227.17868	0.6
229.15904	1.0
231.04939	0.4
231.17526	1.2
233.15341	0.6
243.21121	1.5
253.19550	3.7
271.20593	8.1
289.21631	6.9
307.22678	100.0
308.23047	0.6
555.24451	1.0
555.43048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.1
55.05517	21.0
57.03450	16.8
57.06842	2.7
57.07084	35.9
58.81583	2.0
59.04996	3.2
65.03939	2.5
67.05512	32.8
69.07079	12.5
70.22650	9.6
71.08633	28.6
71.34100	2.4
79.05476	9.2
81.03426	3.4
81.06658	2.7
81.07066	30.4
83.04996	2.3
83.08623	19.4
85.10190	14.2
89.06022	4.0
90.44991	2.4
91.05495	23.6
93.07063	19.2
95.04975	5.0
95.08608	23.0
97.02900	3.9
97.10158	7.5
99.00810	17.3
105.07043	17.1
107.04946	4.8
107.08591	8.0
109.02859	9.0
109.06474	3.0
109.10177	14.8
111.08077	2.6
115.03923	3.0
117.07029	2.6
119.08576	7.6
121.06509	10.0
121.10143	3.0
123.11685	6.2
131.08560	3.1
133.10144	28.7
143.08578	5.4
151.11189	6.7
154.47472	2.1
161.09631	16.7
171.08069	5.0
173.13319	2.9
179.10655	9.9
189.09102	8.5
197.11667	3.3
207.10156	4.4
225.11191	19.7
239.23657	4.5
243.12192	4.2
281.13681	3.6
299.14914	87.7
313.27396	100.0
465.35760	7.7
519.57861	2.6
537.37897	61.8
555.37219	7.3
564.45868	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	555.9642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38634	0.9
55.74838	1.0
71.50669	1.4
82.72769	1.1
97.47934	1.0
112.89610	100.0
114.89321	4.8
136.93983	1.4
139.91463	2.7
164.54915	1.3
185.42703	1.0
212.85222	8.7
212.93840	2.3
212.95679	2.5
213.84735	18.1
352.86530	1.0
381.07819	10.9
382.08221	2.0
407.22028	1.1
420.03613	1.9
449.82162	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27913	0.8
57.03422	1.2
67.42543	0.8
69.03419	3.8
71.51505	1.7
72.86490	0.8
81.03416	1.6
82.35001	0.9
82.99865	2.2
85.02906	8.0
97.02889	2.2
99.10742	0.8
101.00887	15.3
109.02844	1.6
113.00877	3.4
115.02486	1.2
119.01929	24.4
121.01627	0.9
127.02447	7.8
127.03931	3.9
131.01926	11.1
135.70923	0.9
137.02959	3.1
139.02391	1.4
141.03983	1.6
143.01903	27.5
145.03474	25.1
145.04874	2.1
147.01418	2.3
147.05017	1.2
153.03993	2.5
155.01877	17.3
157.03474	6.3
159.04985	5.6
161.01720	1.7
161.02985	24.3
161.04317	1.3
163.04471	2.0
163.86351	0.9
164.00426	1.1
167.01892	9.7
167.07056	2.8
169.03471	30.5
171.01387	2.4
171.05040	11.0
173.01460	1.1
173.02966	20.9
175.04541	1.5
179.01947	5.5
181.03458	3.1
182.70393	1.1
183.05043	1.7
185.02962	43.3
187.04524	33.6
189.02521	4.4
189.06007	1.2
191.03976	1.7
193.03438	1.1
195.01395	1.3
197.02977	22.1
199.04527	5.7
203.04041	11.2
209.02917	1.8
210.06042	1.5
211.04512	6.3
213.02519	6.0
213.06105	1.2
215.04008	17.5
221.05072	1.9
223.04575	1.7
225.02428	1.7
225.06033	1.1
227.03990	11.6
229.05492	1.7
230.26640	1.0
231.03525	7.4
233.05104	1.7
233.07124	1.0
235.04688	0.9
239.03934	1.9
241.05563	1.3
244.04395	1.6
245.05087	100.0
247.04915	2.2
257.01416	1.8
257.04996	5.6
263.06152	10.3
266.03519	1.3
267.07080	2.0
271.06631	4.1
275.02573	13.6
275.06100	82.0
284.06552	1.2
287.02426	5.8
287.06049	6.1
287.08838	6.4
293.03543	3.0
293.07172	8.5
296.09314	5.8
296.12119	1.1
297.04657	1.1
299.06393	1.3
305.03610	4.5
305.07175	17.9
305.10513	1.6
315.05637	2.0
316.08728	1.3
317.07251	2.5
333.06436	1.1
335.04538	5.8
335.08252	12.8
359.04532	5.5
359.08484	1.8
365.09296	19.4
377.05569	15.8
377.09637	3.5
395.06674	22.6
395.11133	1.3
425.11557	1.3
428.08633	2.4
539.11005	1.5
557.11188	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	557.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27913	0.8
57.03422	1.2
67.42543	0.8
69.03419	3.8
71.51505	1.7
72.86490	0.8
81.03416	1.6
82.35001	0.9
82.99865	2.2
85.02906	8.0
97.02889	2.2
99.10742	0.8
101.00887	15.3
109.02844	1.6
113.00877	3.4
115.02486	1.2
119.01929	24.4
121.01627	0.9
127.02447	7.8
127.03931	3.9
131.01926	11.1
135.70923	0.9
137.02959	3.1
139.02391	1.4
141.03983	1.6
143.01903	27.5
145.03474	25.1
145.04874	2.1
147.01418	2.3
147.05017	1.2
153.03993	2.5
155.01877	17.3
157.03474	6.3
159.04985	5.6
161.01720	1.7
161.02985	24.3
161.04317	1.3
163.04471	2.0
163.86351	0.9
164.00426	1.1
167.01892	9.7
167.07056	2.8
169.03471	30.5
171.01387	2.4
171.05040	11.0
173.01460	1.1
173.02966	20.9
175.04541	1.5
179.01947	5.5
181.03458	3.1
182.70393	1.1
183.05043	1.7
185.02962	43.3
187.04524	33.6
189.02521	4.4
189.06007	1.2
191.03976	1.7
193.03438	1.1
195.01395	1.3
197.02977	22.1
199.04527	5.7
203.04041	11.2
209.02917	1.8
210.06042	1.5
211.04512	6.3
213.02519	6.0
213.06105	1.2
215.04008	17.5
221.05072	1.9
223.04575	1.7
225.02428	1.7
225.06033	1.1
227.03990	11.6
229.05492	1.7
230.26640	1.0
231.03525	7.4
233.05104	1.7
233.07124	1.0
235.04688	0.9
239.03934	1.9
241.05563	1.3
244.04395	1.6
245.05087	100.0
247.04915	2.2
257.01416	1.8
257.04996	5.6
263.06152	10.3
266.03519	1.3
267.07080	2.0
271.06631	4.1
275.02573	13.6
275.06100	82.0
284.06552	1.2
287.02426	5.8
287.06049	6.1
287.08838	6.4
293.03543	3.0
293.07172	8.5
296.09314	5.8
296.12119	1.1
297.04657	1.1
299.06393	1.3
305.03610	4.5
305.07175	17.9
305.10513	1.6
315.05637	2.0
316.08728	1.3
317.07251	2.5
333.06436	1.1
335.04538	5.8
335.08252	12.8
359.04532	5.5
359.08484	1.8
365.09296	19.4
377.05569	15.8
377.09637	3.5
395.06674	22.6
395.11133	1.3
425.11557	1.3
428.08633	2.4
539.11005	1.5
557.11188	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	557.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99856	1.0
67.65015	1.0
69.03428	2.0
69.24589	4.1
69.25012	2.6
72.71344	0.7
81.03421	1.0
82.99874	1.9
85.02883	3.4
85.45793	0.8
85.57050	0.7
94.99854	1.1
97.02894	2.6
98.97584	0.8
101.00887	13.9
109.02907	1.3
113.00866	3.9
115.02456	1.1
116.47710	0.8
117.03992	0.9
118.49333	0.7
119.01929	22.9
127.02432	6.0
127.03915	2.5
128.98581	1.0
131.01909	11.3
133.03500	1.4
137.02959	1.8
139.02402	1.6
141.03984	1.6
143.01900	24.7
145.01692	1.5
145.03470	24.6
147.01384	1.6
147.05119	1.5
153.03934	2.0
155.01915	15.0
157.03445	7.2
159.03830	0.8
159.05016	5.2
161.02963	24.0
163.04457	2.8
167.01894	9.0
169.03479	27.5
171.01418	2.6
171.05055	9.2
173.02975	22.8
173.04161	0.6
175.02933	1.0
175.04510	2.1
179.01894	4.7
181.03432	3.1
183.05028	1.3
185.02965	42.2
187.03008	1.6
187.04535	33.0
189.02435	4.9
191.04187	1.4
193.03444	0.9
195.01427	1.3
195.04922	1.0
197.02965	21.3
197.04785	1.0
199.04538	5.6
201.06126	1.3
203.04021	13.9
208.04535	0.9
209.02988	1.1
211.04539	5.2
213.02425	5.9
213.06096	2.1
215.00821	1.0
215.04033	18.5
221.03046	1.1
221.04971	1.8
223.04576	1.5
223.60783	0.8
224.01196	1.0
225.02516	1.2
227.04021	9.7
229.05577	2.4
231.03455	7.5
233.05057	2.3
239.04031	1.6
241.05605	1.4
243.03586	1.5
245.05089	100.0
246.05241	1.4
253.05693	1.2
257.01450	2.1
257.04984	6.1
263.06137	10.3
266.03445	0.9
267.03421	0.9
271.06708	3.9
273.04514	1.1
275.02548	14.3
275.06104	79.9
276.06354	1.1
276.52359	0.8
287.02444	5.2
287.06076	7.2
287.08905	1.9
293.03659	2.9
293.07190	7.6
296.09299	1.2
297.04584	1.5
299.06174	1.1
305.03561	5.6
305.07181	17.0
315.05573	1.2
316.08710	1.0
317.03836	1.0
317.07178	3.0
319.08624	0.9
329.07019	1.0
333.06409	1.7
335.04480	5.8
335.08255	11.7
347.07962	1.3
359.04663	4.4
365.09308	14.2
366.09485	1.0
377.05447	12.5
377.09549	3.1
395.06644	18.2
395.11401	1.8
428.08817	1.0
539.10980	1.4
557.11322	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	557.2997
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.46893	0.8
53.27805	0.8
54.18353	0.9
55.05517	7.4
57.03452	4.6
57.07080	47.1
67.05507	18.1
69.03432	1.2
69.07071	10.2
69.87893	3.6
71.04991	0.9
71.08638	34.1
73.02905	1.7
75.04468	3.4
79.05492	2.4
81.03405	1.0
81.06593	1.2
81.07065	19.8
83.08629	13.4
85.02902	1.9
85.10193	22.7
89.06049	1.5
91.05478	1.7
93.07047	1.3
95.08613	29.7
97.10194	8.2
99.11761	1.8
103.07522	1.3
105.07028	1.2
107.08529	1.5
109.02876	2.4
109.10168	12.7
111.04437	1.9
111.11707	2.5
119.08633	1.1
121.10131	1.5
123.11705	5.6
125.13249	1.9
127.03922	1.5
137.13249	3.5
147.11717	1.0
153.28020	0.8
178.12402	0.9
191.00124	2.1
209.11620	1.0
221.22685	1.8
227.35323	0.9
239.23709	36.6
253.00468	0.9
257.24750	5.7
298.27432	1.1
313.27386	100.0
331.28516	4.4
421.74960	0.9
467.36816	1.0
500.69412	1.1
539.28601	2.2
557.35168	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
67.05504	3.7
69.07034	2.1
71.02657	3.0
71.02988	2.0
79.05502	2.5
81.07074	2.4
88.07618	3.0
89.06024	4.3
91.05496	2.0
93.07047	3.1
95.08569	2.3
133.08650	1.8
196.42168	1.7
215.70470	1.9
256.26404	11.7
267.12146	5.2
281.13599	100.0
284.29437	5.0
373.42361	1.9
423.90878	1.7
555.44122	1.8
556.52667	1.8
557.38623	2.0
557.53406	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
53.03946	4.7
55.01859	2.9
55.05513	14.0
57.03442	6.2
57.07075	2.8
59.05024	1.3
60.41751	1.0
62.08969	1.2
64.53793	1.3
65.03948	3.2
67.05506	35.2
69.07066	13.7
69.28743	9.4
71.05000	2.3
72.08150	7.1
73.08461	1.3
74.09737	1.3
75.85075	1.1
77.38966	1.2
79.05494	30.9
81.03413	3.3
81.07060	33.1
83.04991	3.8
83.08617	7.3
85.06537	2.3
91.05483	31.9
93.06483	1.9
93.07050	27.1
95.04965	5.7
95.08609	22.1
97.06517	3.0
97.10179	3.7
99.08076	1.6
105.04568	1.5
105.07036	26.0
107.04959	3.4
107.08604	15.1
109.06506	2.1
109.10151	8.8
112.30103	1.1
115.05436	2.3
117.07020	12.7
119.08585	22.2
119.09376	2.0
121.06506	2.6
121.10149	9.6
123.08086	2.7
125.09616	2.5
128.06232	4.4
129.07013	14.3
130.07787	1.2
131.08568	19.3
133.06477	1.7
133.10126	14.0
135.08038	1.6
135.11690	7.7
137.09628	1.7
139.11115	1.4
141.06982	5.6
142.07797	3.1
143.08574	18.3
144.09402	1.2
145.10124	20.1
147.08037	2.0
147.11687	16.7
149.09612	1.2
149.13283	3.5
151.11240	1.2
153.06975	1.2
154.07790	2.7
155.08582	15.9
156.09370	3.3
157.06593	1.4
157.10136	15.1
159.08051	1.3
159.11687	14.3
161.09529	1.5
161.13252	9.4
165.07265	1.7
167.08609	7.5
168.09364	2.3
169.10133	16.5
171.11684	19.3
173.09645	2.4
173.13263	10.9
175.11180	1.9
175.14861	2.8
179.08589	3.2
181.10126	11.8
182.10919	2.0
183.11682	14.9
185.13251	8.7
187.14851	4.5
189.12718	2.5
193.10190	3.6
195.11681	8.7
196.55573	1.2
197.13277	12.6
199.14774	7.8
201.16429	2.3
207.11830	2.5
207.13831	2.9
209.13266	7.8
211.14822	7.4
213.16333	6.2
219.11821	1.8
221.13266	2.6
223.14980	6.6
225.16420	4.3
235.14862	2.6
237.16455	2.7
241.19604	4.9
247.17072	2.1
251.18045	1.9
257.19080	2.7
259.20575	13.5
273.18411	1.2
275.20264	1.6
279.16013	4.0
281.17410	9.4
297.22034	2.3
299.20401	1.2
313.21811	1.4
321.22147	2.4
323.23996	1.6
327.23270	1.3
333.24399	5.6
335.23715	3.6
337.25616	1.9
347.23676	1.2
353.24744	2.8
379.27368	1.2
419.33252	3.1
429.31534	4.9
437.34164	10.8
447.32526	19.8
455.35410	1.9
455.94238	1.3
465.33716	19.5
483.34579	15.6
503.35120	1.7
521.36072	8.4
527.37665	2.7
529.38831	7.0
539.37335	100.0
557.38391	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.4
55.01870	3.1
55.05273	1.3
55.05517	17.1
57.03442	6.8
57.07082	7.7
65.03938	1.8
67.05505	31.6
69.03397	1.0
69.07066	14.9
69.28236	9.1
70.94489	1.1
71.04976	2.2
71.08618	4.4
71.49502	1.0
77.03928	1.9
79.05495	25.1
80.52540	1.1
81.03412	2.9
81.07055	33.1
83.04985	3.3
83.08623	9.0
85.06528	1.9
85.10197	1.8
91.05483	28.9
93.07044	28.3
93.71505	1.0
95.04953	3.8
95.08611	24.4
95.39732	1.2
97.06501	2.8
97.10165	4.8
98.21497	2.1
100.93402	1.1
105.04469	1.1
105.07034	29.0
105.07698	2.3
107.04941	3.0
107.08595	13.8
109.06489	1.5
109.10161	9.6
109.89875	0.9
115.05421	1.8
117.07019	15.4
119.08585	22.9
121.06539	1.6
121.10160	9.9
123.08063	2.6
123.11702	2.7
125.09625	1.8
128.06248	3.0
129.07013	15.8
131.08571	20.5
133.10123	13.1
135.08055	2.4
135.11676	6.5
137.09636	1.3
141.06967	6.5
142.07771	3.7
143.08569	17.1
145.06511	1.5
145.10129	20.3
147.08081	1.1
147.11685	15.2
149.09589	1.4
149.13292	3.6
153.06952	1.4
154.07776	1.5
155.08562	12.4
156.09290	1.8
157.10129	15.3
159.08141	1.9
159.11684	16.1
161.09589	2.2
161.13257	8.9
163.11147	2.1
163.14876	1.4
167.08574	7.1
168.09413	2.4
169.10136	20.0
171.11696	17.6
173.09680	1.6
173.13292	9.9
175.11168	1.7
175.14816	3.2
177.12677	1.4
179.08569	3.4
181.10129	10.2
182.10948	1.6
183.11694	13.0
185.13234	10.0
187.11211	1.8
187.14764	5.0
189.12856	3.1
190.22960	1.2
193.10159	3.8
195.11687	9.4
197.13245	11.6
199.11086	1.2
199.14867	6.4
201.12810	1.6
201.16571	1.7
207.11716	2.8
207.13808	2.9
209.13260	5.4
211.14839	7.2
213.12785	1.2
213.16354	7.8
219.11835	1.5
221.13277	3.7
223.14819	5.0
225.16385	4.0
235.14868	2.6
237.16505	2.9
239.23726	3.8
241.19479	6.8
247.14766	1.5
247.17117	2.1
249.16396	1.6
251.17990	1.2
257.19089	2.1
259.20593	11.5
277.22128	1.2
279.16025	3.1
279.21320	1.8
281.17371	7.1
293.19089	1.5
295.20593	1.2
297.22348	1.9
307.20581	1.3
309.22278	2.1
313.21716	1.4
313.27432	9.2
315.23282	1.2
321.22003	2.3
323.23685	2.8
325.21719	1.3
325.25284	1.3
333.24326	5.9
335.23669	2.6
337.25250	1.3
339.23175	1.2
341.24673	1.6
353.24872	1.7
363.26828	1.6
367.26349	1.1
419.33420	1.9
429.31461	3.5
437.34235	9.1
447.32538	20.5
465.33664	22.7
483.34723	14.2
485.33142	1.2
501.35858	2.1
503.35275	2.3
511.37936	1.6
513.35370	1.5
521.36194	10.0
527.36975	2.7
529.39050	8.0
539.37311	100.0
540.37714	1.6
557.38403	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
55.01852	0.9
55.05266	0.8
55.05517	11.5
57.07084	3.3
65.03947	0.9
67.05511	22.3
69.06737	0.8
69.07073	12.9
69.89412	2.9
71.05008	0.8
71.08630	1.7
74.09728	0.8
79.05503	8.8
81.07063	26.2
83.04996	1.2
83.08633	6.8
85.06550	0.7
91.05489	11.8
91.78785	0.6
93.07053	12.2
95.04996	1.0
95.08618	18.5
97.06531	1.7
97.10179	4.1
105.07037	20.2
107.08607	8.5
109.06509	1.1
109.10153	7.4
117.07034	6.9
119.08591	19.3
121.10137	5.0
123.08105	1.0
123.11716	3.0
125.09641	1.6
127.07584	0.6
129.07019	3.3
131.08588	10.4
133.10136	9.3
135.11723	2.2
137.13286	1.7
141.07007	1.0
143.08549	3.6
145.10132	10.1
145.11179	1.0
147.11711	5.6
149.02390	0.6
149.13310	2.8
155.08575	1.9
157.10156	2.6
159.11713	4.3
161.13275	6.2
163.11221	0.7
163.14807	0.8
169.10153	1.0
171.11697	2.1
173.13248	4.3
175.14827	4.4
177.78447	0.5
181.10153	1.1
183.11702	1.9
185.13298	0.9
187.14861	3.7
189.16412	2.5
193.19518	0.7
195.11655	1.2
195.13690	0.6
197.13269	2.8
199.14929	1.5
201.16383	2.7
203.17957	0.9
209.13281	1.0
211.14883	1.3
213.16350	1.4
215.14450	0.8
215.18044	2.1
217.19473	1.1
225.16451	1.0
227.17854	0.7
229.19664	0.6
231.21091	2.1
241.19574	0.9
245.22694	2.1
247.17065	0.6
253.19670	0.6
259.24289	0.8
265.21786	1.4
271.24237	0.7
275.20154	0.6
277.21704	0.8
279.23203	2.2
285.22144	0.6
289.21716	0.9
291.23065	0.6
293.24963	0.8
299.23608	1.0
303.23419	1.9
305.24771	0.9
315.23065	0.7
317.24860	2.8
323.82648	0.6
329.24817	0.8
331.26346	1.1
345.27814	0.7
369.31812	1.0
373.31140	1.0
387.32516	1.3
401.34320	0.8
415.36063	1.7
423.32230	0.8
433.34274	0.7
448.35754	0.7
451.35486	1.2
459.34451	1.0
473.36874	0.8
489.32388	0.7
503.42426	1.4
521.43604	9.6
539.44635	8.8
557.45697	100.0
558.46240	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.8
55.01871	4.5
55.05513	25.1
57.03439	4.4
57.07081	2.4
58.04966	1.1
65.03935	1.9
67.05508	43.9
69.03423	2.8
69.07072	15.6
69.32481	1.2
69.50611	7.6
71.05007	2.7
71.08673	1.5
79.05495	39.2
81.03420	3.8
81.07055	44.0
83.04995	6.0
83.08622	12.8
85.06538	3.0
91.05488	36.6
93.07043	39.6
95.04980	6.6
95.08610	27.6
97.02899	2.8
97.06531	4.2
97.10181	17.5
99.00832	4.9
103.05498	1.2
105.04479	1.4
105.07035	29.2
107.04968	5.6
107.08590	25.7
109.02884	5.5
109.06535	2.8
109.10154	16.7
111.08122	3.9
115.03884	1.3
117.07018	15.9
119.08582	21.1
120.08832	1.3
121.06525	4.0
121.10143	17.1
121.10926	1.6
123.04449	1.8
123.08099	1.3
123.11713	4.6
123.32816	1.3
125.09623	9.3
127.03936	1.8
128.06262	1.8
129.07010	6.8
131.08566	15.7
133.06540	2.0
133.10136	28.3
135.08080	2.5
135.11697	14.1
137.09653	2.1
143.08549	9.2
145.06482	1.9
145.10120	15.2
147.08067	2.4
147.11674	10.6
149.09645	1.9
149.13301	6.4
151.11224	5.1
153.09074	2.9
155.08607	3.8
157.10103	6.8
159.08052	2.5
159.11705	10.3
161.09579	8.5
161.13257	6.0
163.11197	2.5
163.14780	1.3
165.07286	1.3
165.09097	1.4
167.08635	2.2
169.10173	3.8
171.08084	3.2
171.11740	5.7
173.13293	7.0
175.11224	2.3
175.14853	1.5
179.10733	3.8
179.14288	1.3
181.10231	2.0
183.11719	4.2
185.13322	4.8
187.11240	1.5
187.14900	3.3
189.09149	6.3
189.11241	4.8
189.12729	1.8
191.10760	1.9
195.11688	2.8
197.11728	1.4
197.13385	2.6
199.14845	4.0
207.10188	2.2
209.13478	1.5
211.14827	1.8
223.14886	1.9
225.11169	5.9
227.12680	6.8
243.21112	3.5
259.20688	3.3
261.22134	7.9
269.22430	1.5
271.20660	2.5
277.21729	4.8
281.13782	7.8
283.15579	2.0
287.23761	4.6
291.19632	2.3
297.21887	1.7
299.20331	1.4
313.21808	2.6
315.23145	16.6
333.24240	2.4
343.26602	1.3
393.31482	1.6
403.29898	1.6
421.31134	5.6
431.29401	3.1
439.32101	5.1
449.30515	8.7
457.33334	2.7
467.31595	16.9
485.32904	9.6
495.34497	1.4
513.35901	17.9
515.37354	4.0
523.34009	4.7
531.36859	16.2
541.35229	48.1
559.36377	100.0
559.45807	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25750	1.6
53.03925	4.0
55.01860	5.7
55.05511	27.6
57.03421	3.8
57.07056	5.2
67.05508	41.5
69.03428	2.8
69.07061	14.9
69.54907	13.0
78.03587	1.8
79.05080	2.4
79.05497	32.5
79.05928	3.5
80.05791	1.9
81.03407	5.6
81.07059	44.0
83.04956	5.7
83.08623	14.4
83.29841	1.9
91.05481	32.0
93.06487	2.4
93.07046	31.7
95.04972	5.1
95.08614	27.4
97.02902	3.4
97.06553	3.6
97.10159	19.4
98.21494	3.6
99.00836	4.6
99.08060	1.9
105.07034	27.5
107.04942	4.7
107.08582	23.0
109.02874	7.0
109.06518	2.4
109.10155	14.0
111.04455	2.2
111.08096	6.3
115.05451	3.1
117.07018	11.3
117.07737	2.2
119.08582	19.5
121.06510	3.7
121.10148	13.2
123.11724	6.1
125.09618	10.9
128.06213	3.0
129.07011	7.7
131.08572	20.2
133.10132	25.1
135.08072	2.3
135.11697	14.2
137.09601	2.0
141.06949	3.8
143.08553	8.6
145.06502	2.4
145.10121	15.3
147.08063	3.1
147.11705	8.1
149.09633	4.3
149.13274	4.2
151.11235	2.4
153.09076	2.4
155.08563	5.4
156.09290	2.1
157.10114	8.5
159.11720	9.4
161.09624	8.4
161.13248	8.0
163.11197	6.2
163.14771	3.2
167.08528	2.3
167.10721	2.0
169.10133	6.8
171.08023	2.8
171.11617	9.0
173.09631	2.8
173.13268	8.8
175.14786	3.6
179.10732	2.3
181.10197	4.4
181.12206	2.8
183.11697	8.2
185.13232	5.0
187.14893	5.6
189.09058	2.3
189.11249	5.5
195.11667	3.2
197.13281	3.8
199.14821	2.7
201.12866	2.2
201.16493	2.1
209.13258	3.4
211.14915	3.0
215.14287	2.0
225.11082	2.8
227.12801	8.5
243.21271	2.7
253.19337	2.9
259.20645	6.6
261.22131	3.4
275.20074	3.3
277.21588	5.3
281.13885	6.0
281.18991	2.1
287.23694	3.7
291.19678	2.4
297.22256	1.8
299.20035	2.1
315.23254	15.0
325.21692	2.0
333.24258	2.3
403.30310	2.5
421.30960	5.3
431.29755	4.6
439.32190	5.6
449.30371	8.2
457.33051	3.5
467.31543	20.2
485.32358	12.1
498.25659	2.2
513.35773	14.0
523.34241	4.1
527.37463	3.5
531.36902	18.9
541.35272	59.4
557.33472	2.5
559.36249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
54.32852	0.8
55.01875	5.5
55.05515	23.3
57.03441	4.8
57.07069	3.7
58.13472	1.0
65.03944	2.3
67.05509	40.5
69.03408	2.4
69.07077	11.9
69.21381	2.1
69.21782	7.2
71.05000	2.8
75.29103	1.0
79.05499	34.1
81.03423	3.5
81.07060	38.7
83.04546	1.2
83.04964	5.1
83.08621	14.7
85.06535	2.4
91.04908	1.4
91.05487	29.7
93.07053	33.0
95.04967	5.6
95.08619	21.6
97.02904	2.6
97.06526	2.9
97.10186	14.1
99.00826	4.3
99.08083	1.2
103.05489	1.0
105.07038	26.9
107.04967	4.3
107.08601	24.8
109.02883	5.3
109.06522	3.6
109.10155	15.7
111.04486	1.8
111.08075	3.8
113.06015	1.4
115.05479	1.6
117.07021	10.0
119.08592	19.0
121.06516	3.7
121.10158	13.9
123.04408	1.5
123.08108	2.6
123.11723	4.6
125.09637	11.5
128.06236	1.8
129.07010	6.5
131.08585	15.9
133.06508	2.7
133.10133	25.6
135.08134	2.6
135.11697	11.3
137.09662	1.4
141.07013	1.9
142.07837	1.3
143.08595	10.0
145.06491	2.6
145.10126	13.6
147.08067	2.4
147.11668	8.6
149.09637	1.9
149.13258	5.8
151.11226	4.7
153.09161	1.5
153.12753	1.7
155.08539	5.0
157.10143	7.3
159.08067	1.3
159.11703	10.3
161.09634	8.3
161.13303	5.3
163.11229	3.1
163.14868	2.6
167.08600	1.7
169.10109	5.0
171.08118	2.3
171.11722	7.6
173.09682	1.4
173.13283	7.1
175.11139	1.2
175.14828	3.2
179.10701	3.3
181.10184	2.4
181.12318	2.1
183.11752	4.0
185.09666	2.5
185.13269	4.7
187.11255	2.1
187.14850	3.8
189.09187	4.5
189.11238	3.9
189.12805	2.1
191.10667	1.2
193.10092	1.1
195.11734	2.8
197.13373	3.0
199.14890	2.4
201.12793	1.7
207.10161	1.2
209.13324	2.2
211.14874	2.5
213.12886	1.4
213.16399	1.6
221.13332	1.3
225.11143	6.2
225.16383	1.0
226.44997	1.1
227.12672	5.6
231.17265	1.2
235.14928	1.1
237.16374	1.1
243.21155	2.7
252.15231	1.0
259.20639	2.6
261.22113	7.4
269.22476	1.3
271.20694	1.9
273.18600	2.2
275.20209	1.1
277.21683	3.9
281.13824	8.6
283.15445	1.4
283.71588	1.1
285.21957	1.5
287.23648	5.9
291.19650	2.1
295.20703	1.4
297.22311	2.8
299.20166	1.6
313.21820	2.2
315.23160	16.9
317.24936	1.5
325.21658	1.2
333.24225	1.4
335.56171	1.2
341.21228	1.1
403.30069	1.6
421.30905	6.3
423.32590	1.3
431.29239	2.1
432.38315	2.3
439.31946	5.4
449.30414	10.1
457.33237	2.9
467.31531	19.5
475.34326	1.2
485.32571	13.7
495.34738	1.9
513.35834	17.3
515.37396	2.4
523.34119	3.5
527.37433	1.3
531.36938	16.9
541.35254	53.6
559.23126	4.1
559.36340	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	2.7
53.03957	10.8
54.45712	1.6
55.01863	2.5
55.05513	22.5
57.03440	11.7
57.07077	3.6
65.03938	5.0
67.05507	95.2
69.07076	18.0
71.04980	2.4
71.24397	3.5
76.44179	2.0
79.05495	94.4
81.03416	7.0
81.07056	81.0
81.07537	4.3
83.04976	11.9
83.08620	11.2
85.06525	3.9
91.05489	66.6
93.07047	90.3
95.04949	15.1
95.08607	52.0
95.09184	3.9
97.06534	5.9
97.10186	4.5
105.04516	5.0
105.07037	46.0
107.04942	5.3
107.08600	34.1
109.06533	7.9
109.10158	16.7
111.08084	4.7
117.07014	14.0
119.08580	29.1
119.09359	3.2
121.06526	2.3
121.10142	18.6
123.08099	6.1
123.11697	5.0
128.06277	2.2
129.07005	14.1
131.08585	17.7
133.10136	18.2
135.11711	13.3
143.08577	11.4
145.10149	16.7
147.08028	2.5
147.11684	34.9
149.13272	6.2
157.10135	3.0
159.11682	7.1
161.09576	4.9
161.13260	13.7
163.14824	1.9
171.11707	28.6
173.13275	5.9
185.13245	1.9
189.12766	7.8
201.47485	2.1
207.13799	25.3
225.14766	2.6
243.21118	3.0
248.10234	1.9
261.22314	11.4
261.87042	2.0
279.15988	2.4
281.13620	77.3
281.17468	42.3
308.05164	1.9
317.24677	3.6
335.25790	66.5
398.57309	1.7
485.23026	1.9
541.38904	100.0
559.23499	8.9
559.40021	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48640	1.0
53.03940	3.3
55.01859	1.7
55.05515	20.9
57.03443	7.0
57.07057	1.3
65.03933	3.5
67.05511	53.0
69.03436	1.1
69.06732	1.5
69.07078	18.2
69.37275	1.1
69.71463	1.1
71.04998	18.6
71.08638	2.0
79.05500	38.8
80.69678	1.1
81.03421	3.4
81.07063	57.3
83.04993	5.7
83.08630	10.3
85.06538	4.0
85.60047	1.0
91.05488	42.5
93.06496	2.5
93.07054	39.6
95.04976	8.1
95.08615	28.9
97.06525	6.3
97.10168	3.9
99.08072	1.4
102.36072	1.0
103.24253	1.0
104.53370	1.1
105.04536	1.7
105.07043	34.6
107.04937	3.2
107.08602	20.5
109.06512	3.3
109.10164	10.0
111.08101	2.2
114.42107	1.4
115.05453	3.4
117.07040	15.2
119.08588	19.8
121.06509	1.2
121.10170	10.8
123.08081	1.7
123.11713	3.7
125.09621	3.1
128.06221	4.4
129.07014	10.7
130.07791	2.2
131.08574	24.8
133.10144	16.9
135.08133	2.6
135.11690	6.7
139.11211	1.1
141.07018	3.9
142.07787	5.4
143.08575	16.0
143.53874	1.0
144.09322	1.8
145.09055	2.0
145.10141	25.5
147.08118	1.4
147.11710	15.9
149.13269	4.1
151.11176	1.9
153.07001	1.4
153.12825	1.4
155.08569	7.2
156.09363	2.3
157.10130	14.5
159.08145	1.5
159.11708	20.6
159.12912	2.2
161.09637	1.1
161.13310	5.0
167.08585	2.2
169.10135	9.0
171.11707	17.0
173.13257	7.9
175.14850	2.3
177.12799	2.1
179.14352	1.9
181.10120	4.4
183.11699	11.3
185.13290	8.1
187.14798	4.7
189.12755	2.2
195.11815	5.8
195.13559	1.2
197.13272	7.2
199.14845	3.5
201.16351	1.7
207.11972	1.3
207.13797	4.9
209.13263	3.0
211.14813	2.6
213.16425	2.0
221.13283	1.8
223.14972	1.3
257.17365	1.6
259.20541	1.7
261.22134	1.9
273.18451	1.8
277.21771	1.2
281.17493	11.6
283.20706	2.2
285.22134	8.3
291.19611	4.8
297.22119	2.3
309.18454	1.1
311.23596	1.3
315.23209	1.5
323.23715	1.6
325.25024	1.5
335.26117	8.9
341.24756	4.3
375.63181	1.2
417.31335	2.7
435.32541	11.6
441.86487	1.2
453.33539	5.4
491.35464	1.3
509.35883	6.4
527.37378	100.0
528.37506	2.1
541.39246	15.5
559.23480	2.6
559.40436	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	559.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	11.0
55.01882	2.7
55.05271	2.6
55.05515	27.0
57.03446	10.4
57.07069	5.5
65.03938	6.1
67.05511	87.7
69.07071	20.7
69.92098	10.6
71.04992	3.7
77.25330	2.2
79.05500	89.0
81.03437	11.2
81.07066	91.8
83.04980	15.0
83.08647	11.8
83.09060	2.0
85.06516	2.9
91.05487	70.3
93.07049	91.5
95.04984	19.0
95.08616	59.6
97.06538	3.4
97.10162	4.3
103.05418	2.8
105.04507	3.3
105.07040	46.4
107.04950	6.3
107.08603	35.0
109.06522	6.7
109.10177	20.4
111.08092	3.4
112.70882	2.0
114.79256	2.3
117.07042	12.2
119.08597	32.5
121.06503	2.7
121.10148	18.2
123.08121	5.8
123.11726	4.3
129.07028	14.0
131.08569	11.7
133.10153	18.5
135.11710	12.8
141.08977	2.1
143.08556	9.7
145.10149	13.3
147.08127	2.5
147.11711	34.8
149.13286	4.0
157.10216	3.7
159.11705	8.8
161.09612	4.4
161.13271	15.3
163.14809	3.4
171.11703	20.8
173.13239	4.5
179.14482	2.6
180.95499	2.2
187.11232	2.6
189.12708	12.2
207.13808	23.8
224.65762	2.4
261.22168	11.6
261.30518	2.3
279.15903	4.9
281.17514	51.7
282.44669	2.0
317.24646	2.9
335.22055	3.7
335.25858	59.6
408.18173	2.2
444.56512	2.2
541.38971	100.0
559.39697	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	559.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	13.0
55.05519	36.8
57.03435	10.1
57.07079	4.0
59.62412	3.7
62.85482	3.4
63.59584	3.3
65.03939	4.9
67.05511	95.9
69.07072	29.0
71.04967	7.4
71.08652	4.1
71.53336	4.9
79.05075	6.5
79.05499	87.1
81.03413	4.3
81.07066	92.3
83.04990	18.6
83.08613	10.8
91.05492	76.9
93.06484	7.0
93.07048	100.0
95.04984	20.1
95.08617	61.2
97.06532	8.3
97.10174	8.2
105.04506	5.4
105.07051	56.4
107.04980	4.6
107.08593	40.7
109.06501	9.0
109.10134	17.8
111.08142	4.1
117.07026	13.0
119.08563	33.2
121.06518	4.2
121.10152	24.9
123.08062	4.9
123.11827	3.4
129.07005	18.9
131.08534	23.3
133.10158	25.1
135.11742	17.7
137.09691	3.9
143.08551	9.0
145.10178	21.4
147.08154	4.2
147.11693	39.6
149.13220	4.4
155.08534	4.7
157.10156	7.4
159.11713	9.1
161.13258	13.0
169.09972	5.7
171.11690	30.1
173.13301	9.0
175.14771	3.9
183.11749	5.7
189.12762	7.5
197.13142	4.0
207.13792	17.0
227.12790	3.8
261.22147	10.8
281.17499	44.1
283.15213	7.9
285.22333	3.7
291.19406	5.0
317.24628	4.2
335.25818	54.1
428.79233	3.6
431.33078	3.8
518.03864	3.8
523.37195	4.2
527.37268	27.6
541.39044	88.8
559.39044	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	559.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01876	5.3
55.05511	22.8
57.03440	7.5
57.07070	10.7
59.05016	3.4
65.03931	3.9
65.32903	2.9
67.05509	62.3
69.03424	2.9
69.07070	22.9
69.48302	11.6
69.48708	8.0
70.06583	10.1
71.04984	3.4
71.08626	3.5
79.05496	50.0
79.99477	3.0
81.03418	5.8
81.07058	56.9
83.04987	7.8
83.08614	15.4
85.06542	4.4
88.07624	10.7
91.05487	44.9
93.07049	45.8
95.04956	8.8
95.08611	43.6
97.06519	6.3
97.10159	8.4
102.09175	11.1
105.06503	2.7
105.07063	32.1
107.04980	4.6
107.08601	24.4
109.06505	4.8
109.10144	15.6
111.04493	3.0
111.08059	3.9
111.90511	3.0
115.05430	3.8
117.07004	14.1
119.08572	26.8
121.06528	4.0
121.10143	19.2
123.08066	4.8
123.11668	5.2
125.09645	5.1
128.06207	4.6
129.06984	13.7
131.08574	36.4
132.68558	2.4
133.06538	3.6
133.10156	15.7
135.08136	3.5
135.11729	9.7
141.06979	7.9
143.08553	22.6
145.06589	3.7
145.10146	28.3
147.11748	14.0
149.13290	6.8
155.08545	17.2
157.10123	24.8
159.11697	14.0
161.09541	3.5
161.13249	10.4
163.11165	5.1
163.14883	3.7
167.08591	5.6
169.10114	19.3
171.11656	21.8
173.13266	9.8
181.10106	9.3
183.11705	13.1
185.13235	11.0
187.11270	3.4
187.14877	5.2
189.12848	5.0
193.10124	3.7
195.11594	5.6
197.13319	8.6
199.14850	6.8
207.13826	4.9
209.13269	7.1
211.14896	6.5
213.16409	3.5
219.98477	3.5
225.16467	5.1
235.14691	2.9
237.16426	4.3
243.21149	5.1
251.18048	4.3
256.26343	19.6
257.26709	19.4
261.22156	5.2
263.23874	3.0
269.18970	3.7
279.15717	6.3
281.17465	17.1
291.19550	7.2
335.25864	9.2
351.27008	3.3
365.24466	3.6
421.30594	3.7
431.33057	7.8
437.34070	9.1
449.34222	20.3
467.35062	11.9
485.23233	7.9
485.36069	9.7
511.37833	3.7
515.24591	5.4
523.37604	14.0
529.39148	14.2
531.40527	6.7
541.38971	100.0
559.23633	51.9
559.38696	29.0
559.43250	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	560.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.01872	11.9
55.05520	4.0
55.64623	1.9
59.91037	1.7
67.05496	7.9
69.03431	10.5
69.07069	8.4
69.74943	1.9
70.06579	5.3
71.05000	6.7
71.51868	2.7
79.05505	9.9
81.03430	25.3
81.07056	18.2
83.04995	3.7
83.08660	2.1
85.02911	3.5
85.06546	6.9
86.09716	4.8
88.09057	1.9
91.05500	5.4
93.07048	28.1
95.04993	4.8
95.08613	7.4
97.02874	3.0
97.06544	14.6
99.04467	10.6
105.07038	21.7
107.08607	45.0
109.02892	23.3
109.06521	9.3
109.10149	3.5
111.08076	4.8
113.06025	4.9
117.07038	3.0
119.08603	7.6
121.06520	12.3
121.10143	23.3
123.08066	7.4
127.03923	18.9
130.07747	2.8
131.08580	5.6
133.06470	2.0
135.08064	5.2
135.11685	12.4
139.11224	2.7
143.08614	1.9
145.10141	18.8
147.11694	4.3
149.06064	2.4
149.09627	14.7
151.07581	6.4
156.31924	1.7
157.10062	1.8
163.09857	4.1
163.11195	64.6
167.10704	19.6
169.08615	64.8
173.09607	5.0
175.07530	1.7
181.12268	15.4
185.11751	4.3
191.10677	31.9
209.11734	33.3
227.12807	100.0
245.13892	2.3
269.13907	4.3
289.14386	4.2
317.13895	3.2
335.14951	5.3
353.15964	37.9
358.21106	2.2
371.17059	25.6
497.80396	2.0
560.30829	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	560.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	10.2
64.33314	9.6
67.05499	43.9
71.13618	29.1
71.51221	9.0
79.05493	19.2
81.07061	44.8
86.09749	10.5
91.05475	11.4
92.27316	11.9
93.07092	28.1
95.08611	38.3
100.39885	10.3
105.07049	18.1
107.08595	13.5
109.10166	22.0
121.10175	20.3
123.11703	10.7
135.11696	16.1
162.95656	10.1
163.14948	10.2
172.49033	11.2
243.21114	30.5
261.22147	100.0
335.25983	13.1
353.26849	38.5
560.37073	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43798	1.6
53.03948	9.3
55.01878	15.7
55.05510	18.2
57.03440	14.2
61.02925	5.6
65.03961	4.4
67.05140	3.9
67.05508	73.4
69.03435	40.7
69.07072	13.3
70.70412	4.7
71.05013	8.2
71.05332	1.6
73.02924	40.7
75.04474	1.8
79.05499	39.2
79.05969	2.4
81.03423	33.9
81.07060	79.6
83.04985	9.6
83.08617	11.6
85.02915	26.4
85.06573	1.9
91.05486	27.9
93.07048	46.8
95.04981	4.5
95.08612	56.6
97.02895	14.7
97.06512	4.6
97.10188	3.4
99.04456	18.1
99.08092	3.4
105.07037	20.1
107.08598	28.7
109.02891	52.5
109.10170	31.9
110.03673	7.7
111.04446	51.6
111.08089	2.6
115.05462	2.5
117.07021	9.0
119.08589	19.2
121.10145	25.1
123.11707	15.2
125.09657	3.9
127.03907	27.4
129.07013	2.8
131.08589	16.2
132.99553	22.0
133.10133	16.5
135.11681	20.2
137.09702	1.7
137.13293	4.9
143.08604	3.0
145.05003	1.9
145.10143	15.0
147.11710	11.0
149.09750	2.2
149.13280	12.3
151.00629	5.5
153.12805	2.1
155.00113	1.9
157.10236	1.7
159.11740	10.7
161.13310	9.1
163.11198	2.8
163.14879	6.8
167.00114	2.0
171.11716	3.7
172.99092	4.5
173.13231	9.4
175.14789	3.1
177.12770	1.8
177.16353	1.8
179.14348	2.5
187.14923	4.7
191.00111	25.7
193.12256	3.0
201.16434	2.6
209.01237	7.6
215.17920	1.6
227.02261	2.2
233.22511	1.9
243.21066	11.4
250.63690	1.9
261.22177	32.6
267.16077	2.3
277.21674	2.7
279.23315	4.7
317.24683	4.8
332.46555	1.9
335.25870	31.3
335.29837	1.6
364.93289	1.7
491.70782	1.8
543.36481	10.1
561.27374	100.0
561.36938	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	561.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.5
54.60989	1.4
55.01876	16.1
55.05510	15.7
57.03440	17.4
57.07068	2.6
61.02927	6.3
65.03943	4.6
67.05507	67.3
69.03432	43.5
69.07077	10.9
69.88058	4.9
71.05001	7.4
73.02920	43.3
73.59278	1.2
75.04488	1.8
79.05495	39.6
81.03422	30.1
81.07064	66.2
83.04977	9.7
83.08624	7.6
85.02908	32.2
85.06515	2.5
90.66338	1.3
91.05491	22.0
93.03397	1.4
93.07048	43.9
95.04971	2.9
95.08614	55.4
97.02898	13.1
97.06549	3.3
97.10184	3.1
99.04458	17.5
99.08088	1.7
104.57532	1.2
105.07036	17.6
106.98044	1.7
107.08588	24.6
109.02889	57.4
109.06540	2.0
109.10165	31.6
110.03660	9.4
111.04446	50.9
111.08087	2.8
117.07021	6.2
119.08588	14.8
119.75325	1.4
121.10154	25.6
123.08162	1.6
123.11710	15.5
124.72704	1.2
125.09709	1.3
127.03922	29.7
129.07033	1.7
131.08574	12.2
132.99557	24.8
133.10135	12.2
135.11687	20.7
136.99014	1.8
137.13263	6.2
139.11243	2.1
143.08592	1.8
145.10132	8.5
147.11687	10.1
148.99023	2.6
149.13283	13.8
151.00616	4.8
151.11230	2.7
155.00087	2.2
159.11684	8.6
161.13281	8.9
163.00633	1.8
163.14845	5.0
172.99062	5.2
173.13252	9.3
175.14861	4.1
177.12721	1.7
179.14159	1.9
187.14828	5.7
191.00093	30.1
191.14392	1.8
201.16371	1.6
209.01164	7.9
243.21060	10.9
261.22134	30.7
265.03687	2.3
272.21542	1.5
279.23123	2.6
303.23380	1.9
317.24731	3.3
335.25793	32.7
466.46252	1.4
561.27332	100.0
562.27478	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	8.5
55.01868	8.7
55.05520	32.0
56.10005	2.9
57.03443	18.0
57.07074	6.3
65.03930	5.9
65.49494	2.9
66.38497	2.8
67.05511	96.6
68.71781	3.4
69.03436	3.9
69.06783	2.6
69.07075	30.9
69.51167	4.8
69.51570	15.5
71.04987	10.1
71.08619	2.6
73.02915	2.6
79.05498	76.8
81.03424	16.0
81.07063	100.0
83.04963	8.2
83.08626	27.5
85.06528	8.9
87.07635	3.0
91.05484	56.2
93.07047	94.8
95.04957	13.3
95.08611	91.9
95.94546	2.7
97.02902	4.8
97.06508	12.4
97.10156	8.4
98.98469	15.7
99.08076	4.8
105.07034	41.6
107.04955	11.0
107.08612	52.9
109.02873	4.6
109.06513	5.5
109.10155	35.1
111.04455	4.3
117.07009	20.0
119.08591	36.4
121.06509	7.2
121.10147	39.8
123.08056	7.7
123.11671	8.3
125.09629	7.3
129.06998	8.4
131.08568	34.0
133.10136	23.6
135.08081	5.5
135.11699	44.5
137.09563	4.8
143.08591	7.5
145.10155	31.0
147.11700	12.9
149.09616	9.8
149.13261	10.1
151.11147	3.4
155.01015	9.4
157.10130	6.7
159.11681	13.3
161.13239	9.9
163.11195	39.1
163.14815	4.8
169.10121	4.4
171.11667	9.7
173.13286	8.9
181.12263	11.4
185.13345	4.5
187.14778	4.6
191.10602	3.0
193.12285	5.3
197.13298	4.7
209.11717	4.4
219.88794	3.2
227.12791	67.5
229.14290	3.4
243.21068	3.9
261.22070	21.4
262.22513	3.4
265.14035	4.4
267.15927	9.8
269.17441	3.4
275.20081	9.3
277.21652	4.1
283.12955	2.7
283.15485	28.6
317.24805	5.3
335.22070	5.5
335.25815	74.7
337.27490	17.5
451.32141	6.1
469.33215	3.9
487.34024	5.7
493.89069	3.5
495.92886	3.5
525.35712	8.8
543.36823	84.6
561.38171	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	7.9
53.33687	1.9
55.01870	7.3
55.05268	2.7
55.05514	29.1
57.03442	14.7
57.07072	3.8
62.25443	2.1
65.03934	4.1
67.05506	94.3
68.71027	2.4
69.03428	3.1
69.07069	24.5
70.13291	6.8
71.05004	5.9
79.05498	78.7
81.03422	9.2
81.07062	86.5
83.04977	8.8
83.08627	16.3
85.06545	3.8
85.46195	2.4
91.05484	52.7
93.07050	98.5
95.04982	15.6
95.08612	100.0
97.02879	4.0
97.06538	6.0
97.10190	7.5
99.04468	5.0
105.07033	33.8
107.04969	11.5
107.08598	60.1
109.06541	5.1
109.10162	30.1
111.04462	3.4
111.08092	5.2
113.36173	2.1
117.07031	22.4
119.08588	36.2
121.06501	8.2
121.10145	39.0
123.08069	3.9
123.11703	10.9
125.06018	2.6
125.09614	6.1
129.07013	5.9
131.08578	26.9
133.10152	20.2
135.08051	4.3
135.11696	59.7
137.09612	3.1
137.13274	3.0
139.07626	3.2
143.08597	4.7
145.10133	48.1
147.08070	2.6
147.11713	14.2
149.09631	6.3
149.13271	9.3
153.12804	3.6
155.08568	4.0
157.10118	4.3
159.11755	13.2
161.13263	9.3
163.11194	61.3
163.14825	4.6
163.30228	2.0
169.10133	3.4
171.11629	3.3
173.09608	4.5
173.13237	7.5
181.12207	12.0
183.02229	2.2
185.13368	3.0
187.14931	4.7
189.11348	3.1
191.10629	2.4
209.11725	6.5
227.10550	5.4
227.12785	93.3
229.14308	2.9
241.14708	2.0
243.21014	7.2
259.20590	2.7
261.04315	2.8
261.22150	28.1
267.15921	3.5
277.21460	2.1
283.15430	51.0
285.22266	2.2
301.21664	2.7
315.23557	2.8
317.24789	8.3
333.24396	2.6
335.25812	98.0
423.32895	2.3
433.31067	2.3
435.63672	2.4
451.32050	4.7
469.33337	3.2
487.34494	3.8
502.24088	2.7
515.37836	2.7
520.69275	2.5
525.35657	5.3
543.36835	91.7
561.38037	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.7
55.01873	4.4
55.05512	23.1
57.03427	7.7
57.07065	3.6
65.03926	3.2
65.68155	1.9
67.05506	64.1
69.03407	3.0
69.07074	17.3
69.85769	3.6
69.86179	6.5
71.04974	3.8
76.44555	1.5
79.05494	55.2
81.03400	5.4
81.06592	2.8
81.07058	57.7
83.04977	6.2
83.08627	17.1
84.04524	2.1
86.09703	2.7
91.05483	28.5
93.07042	74.2
95.04995	10.6
95.08610	65.0
97.02896	5.5
97.06527	5.4
97.10152	5.8
99.04462	3.3
104.10732	4.1
105.07025	23.5
107.04957	7.0
107.08595	48.7
108.59751	1.9
109.06535	3.4
109.10163	21.0
111.08033	3.4
117.07023	16.1
119.08578	21.2
121.06515	6.7
121.10151	29.3
121.10991	1.4
123.11685	6.0
125.05997	4.2
125.09617	2.1
129.07014	2.7
131.08575	13.1
133.07526	1.8
133.10135	14.7
135.08101	3.0
135.11697	47.2
143.08598	4.1
145.10118	33.5
147.08104	2.1
147.11664	6.4
149.09590	2.2
149.13269	6.4
159.11681	6.0
161.09656	1.9
161.13298	4.7
163.11177	44.5
163.14798	2.5
165.12761	1.7
169.10089	2.2
171.11702	3.2
173.09608	2.3
173.13307	5.6
175.14835	2.1
177.12621	2.4
181.12169	11.5
184.07368	4.1
189.12968	2.2
191.10628	2.1
209.11739	5.6
227.12784	100.0
243.21042	3.9
261.22128	19.2
275.20154	2.0
283.15399	48.6
287.22928	1.9
301.21463	2.6
310.93588	2.0
317.24771	8.0
332.58783	1.7
335.25809	79.7
351.25549	2.1
376.35135	1.8
383.19995	1.8
395.71036	2.1
449.18460	2.0
451.31857	4.1
469.32629	3.2
487.34232	2.4
525.35406	2.3
543.36823	59.9
561.23682	2.4
561.38007	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.1
55.01878	5.3
55.05272	2.1
55.05520	28.4
57.03438	12.6
57.07076	3.8
65.03954	3.7
67.05511	69.9
69.03442	4.2
69.07072	20.0
71.05006	7.8
71.08626	1.7
73.02922	2.4
79.05499	63.6
81.03437	4.3
81.07065	82.2
83.04996	9.1
83.08630	14.2
85.06538	4.1
91.05491	37.4
93.07050	91.8
95.04987	14.5
95.08617	79.2
97.02896	4.2
97.06548	7.3
97.10188	4.0
98.21510	4.0
99.04479	4.4
99.08116	2.1
105.04542	2.0
105.07043	32.5
107.04971	10.7
107.08604	55.8
109.06528	5.1
109.10171	22.9
111.04484	2.2
111.08094	3.0
117.07037	20.2
119.08592	25.3
121.06506	7.2
121.10159	31.4
121.11027	1.6
123.08099	2.3
123.11727	9.3
125.06013	3.2
125.09629	1.8
129.07002	3.3
131.08586	16.8
133.06575	1.7
133.10138	17.4
135.08122	2.8
135.11703	57.0
135.12735	3.4
137.09680	1.6
137.13242	2.1
139.07616	2.4
143.08609	4.3
145.10146	35.4
145.11217	1.4
147.11705	10.3
149.09639	2.5
149.13260	8.9
151.11160	2.1
153.12793	2.1
157.10132	3.3
159.11746	6.2
161.13245	6.3
163.11189	57.5
163.14871	3.2
165.12766	1.4
171.11740	2.9
173.13278	3.9
175.11244	1.9
175.14864	1.8
177.12837	1.7
179.14206	3.2
180.80424	1.6
181.12276	12.3
185.13249	2.1
187.14888	2.8
189.79881	1.7
210.48851	1.5
227.12796	100.0
241.19543	2.9
243.21155	6.8
259.20587	6.6
261.22156	23.4
267.16083	2.4
275.19971	2.8
277.21667	3.4
283.09369	4.5
283.15424	49.2
285.16953	5.4
301.21475	3.1
317.24814	9.4
333.24341	2.7
335.25824	99.0
469.33310	4.5
478.61542	1.7
517.38806	2.1
525.35553	1.9
529.38794	3.0
543.36859	68.4
561.37756	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	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23786	1.0
53.03938	4.5
54.35055	1.0
54.59850	1.0
55.01877	5.9
55.05278	1.2
55.05520	18.5
57.03445	11.1
57.07061	3.4
65.03937	3.1
67.05512	57.3
69.03403	1.1
69.06740	1.1
69.07076	14.8
69.25948	10.2
71.04994	2.8
73.02924	2.0
79.05500	49.4
81.03424	3.3
81.07063	62.9
83.04977	4.1
83.08626	12.5
85.06535	2.0
91.05493	21.6
91.08664	1.1
93.07051	66.4
95.04967	10.3
95.08615	73.5
97.02877	3.5
97.06559	5.2
97.10178	3.5
98.20791	2.5
99.04460	4.3
99.08095	1.4
101.19668	1.3
105.07036	21.5
107.04956	7.7
107.08607	46.4
109.06500	2.1
109.10162	19.4
111.04444	1.6
117.07035	15.3
119.08591	20.5
121.06537	5.7
121.09328	2.0
121.10157	26.9
123.11698	6.0
125.05988	2.0
129.07037	2.3
130.07811	1.5
131.08586	9.3
133.10156	9.0
135.08073	1.9
135.11705	63.2
137.13277	2.5
139.07607	1.6
143.08577	2.4
145.10139	32.2
147.11691	5.7
149.13292	7.4
151.11237	1.3
153.12810	1.4
159.11745	5.3
161.13292	3.8
163.11197	59.9
163.14845	3.3
171.11792	1.3
173.13257	3.8
175.14841	1.5
177.16522	1.4
181.12268	9.6
187.14856	2.4
199.67380	1.1
201.16539	1.2
209.11713	2.5
211.11044	1.2
227.12796	100.0
243.21063	5.2
259.20596	2.4
261.22162	19.7
277.21722	1.5
283.15421	55.7
285.16702	1.3
299.23627	1.7
317.24789	6.5
335.25833	73.9
469.33017	2.1
543.36810	43.3
561.38446	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	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.7
55.01877	7.5
55.05514	29.8
57.03436	12.7
57.07077	3.8
59.05012	2.1
64.38138	1.5
65.03934	4.1
67.05508	74.6
69.03431	3.4
69.07069	24.0
69.62555	9.0
71.01348	1.5
71.04981	5.9
77.03957	2.1
79.05494	72.5
81.03410	7.1
81.07060	82.5
83.04987	10.2
83.08624	16.8
85.06543	3.0
91.04900	2.4
91.05485	40.7
93.07045	88.4
95.04971	15.0
95.08608	85.0
97.02895	4.9
97.06545	10.2
97.10179	4.6
99.04425	4.8
105.04535	2.9
105.07033	29.6
107.04963	10.7
107.08598	53.1
109.06516	6.1
109.10152	19.5
111.08058	2.2
111.11732	2.2
113.09650	1.8
115.05480	2.6
117.07020	20.2
118.43631	1.4
119.08579	26.0
121.06542	7.9
121.10145	47.5
123.08117	2.8
123.11731	5.1
125.05980	4.2
125.09624	3.6
129.06990	3.2
131.08569	19.6
133.10156	16.2
135.08092	4.8
135.11694	61.7
137.09593	1.5
137.13165	2.2
139.07545	3.5
139.11195	6.6
143.08574	4.5
145.06458	3.0
145.10130	42.2
147.08040	3.1
147.11661	10.5
149.09639	2.7
149.13283	7.9
151.11169	2.0
153.12772	3.2
155.08589	3.0
157.10158	3.0
159.11700	9.6
161.13297	5.9
163.11179	65.5
163.14902	4.3
169.10155	1.5
173.09631	4.6
173.13307	6.3
175.14783	3.7
179.14328	1.5
181.12233	12.8
187.14890	4.0
189.11310	1.8
191.10771	2.2
209.11742	6.7
227.12785	100.0
243.21066	5.6
245.13818	12.6
245.46506	1.8
259.20618	4.4
261.22119	19.2
265.14301	3.1
283.15405	53.2
285.16791	1.9
315.23230	1.6
317.24936	7.8
335.25809	66.0
451.31985	3.0
469.33066	2.8
525.36060	4.3
543.36853	61.4
561.37903	50.7
562.38000	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.6
55.01871	7.7
55.05514	30.4
57.03431	9.3
57.07073	2.9
59.05002	2.3
65.03945	2.4
67.05510	59.4
69.03425	6.1
69.07072	22.6
70.77253	6.1
71.04997	6.5
79.05498	46.5
81.03411	8.3
81.07063	54.0
83.04977	9.3
83.08623	21.4
85.06543	3.7
86.09721	2.2
91.05492	42.9
93.07051	50.9
95.04966	9.6
95.08610	45.7
97.06535	8.4
97.10181	18.4
99.08099	2.4
105.07041	45.6
107.04944	5.4
107.08598	31.9
109.06525	7.8
109.10160	23.4
111.08109	3.9
115.05402	3.4
117.07028	19.9
119.08589	31.2
121.06497	3.9
121.10146	23.5
123.08060	6.5
123.11718	5.4
125.09610	11.0
127.11068	2.0
128.06204	4.5
129.07016	17.6
131.08569	27.3
133.06490	2.4
133.10133	21.6
135.08035	5.2
135.11711	12.3
137.09615	4.7
139.11160	3.6
141.06985	4.2
143.08575	13.8
145.10133	29.4
147.11716	15.1
149.09668	5.4
149.13242	3.6
151.11159	4.1
155.08565	10.9
157.10150	14.3
159.08134	3.0
159.11711	21.6
161.09656	4.4
161.13263	7.8
163.03932	2.1
163.11174	3.3
167.08635	3.2
169.00955	2.3
169.10121	7.5
171.11671	15.4
173.11861	3.8
173.13213	14.0
175.11205	3.9
175.14963	3.0
177.12733	2.2
179.08701	3.4
181.10149	4.7
183.11737	6.8
185.13271	9.5
187.11032	3.1
187.14819	7.1
189.11237	5.9
189.12773	2.3
193.10155	2.6
195.11763	6.0
197.13290	7.4
199.14867	5.2
201.12772	2.6
203.91972	2.3
209.13306	4.8
211.14903	5.1
215.14374	2.4
223.14841	4.8
227.12697	5.5
229.14404	4.1
241.14224	3.0
259.20801	3.0
267.16016	4.0
273.18338	2.3
285.22128	6.3
297.22037	3.6
299.23706	9.0
301.21838	2.3
315.23331	3.6
317.24704	2.4
333.24503	2.8
339.23267	2.6
345.24442	2.2
347.25970	3.8
433.30911	12.0
451.32040	21.5
469.33099	20.2
471.32315	2.8
487.34378	12.8
494.28574	2.8
507.34476	4.2
515.37061	3.3
525.35883	37.1
527.30005	2.5
543.28418	5.2
543.36835	100.0
561.37994	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	562.2661
Annotation	Apetaline A
Peak:m/z	Relative Intensity
52.81035	0.5
52.81299	0.5
56.05041	10.9
60.05634	1.0
61.01163	7.5
63.90414	0.5
67.05518	0.6
68.05035	1.1
69.07069	1.5
70.02944	0.6
70.06596	40.9
71.04989	2.2
71.51476	0.7
72.08163	0.9
74.06063	0.6
81.03432	0.8
83.06111	0.6
84.04527	0.8
84.08133	0.6
85.02939	0.7
85.07667	1.1
86.09705	8.1
87.04485	0.6
88.03981	1.7
93.07050	0.7
95.06100	8.4
97.02932	0.5
97.07638	1.2
98.02390	0.5
98.06092	1.2
101.07148	0.9
102.05518	0.5
104.05337	26.7
104.07151	0.7
110.94245	0.5
111.05592	1.7
112.08737	16.3
112.09500	1.1
113.07137	1.3
113.10755	0.6
114.10320	0.9
115.08698	8.9
116.07140	1.5
117.37621	0.5
122.07194	0.5
124.07625	0.5
124.08785	0.7
125.07156	1.8
129.06631	0.7
130.09842	0.6
132.10214	1.5
140.08159	5.4
141.10268	1.5
142.58286	0.5
151.03915	1.1
158.09264	1.9
159.05905	2.2
160.04283	7.2
163.03993	0.7
164.08194	0.7
166.08641	0.9
174.07021	0.7
175.11937	1.2
177.06931	1.1
183.12442	1.8
187.10872	0.7
201.12358	2.6
208.10840	1.0
210.08763	1.5
210.10582	0.7
212.08865	0.6
213.08797	0.6
227.11356	1.0
234.89789	0.5
239.91194	0.6
241.91333	0.5
247.12932	1.6
255.10854	1.2
256.11203	5.3
257.09818	0.6
271.12256	1.6
273.11841	2.7
281.10663	5.0
283.15472	1.1
288.15060	2.4
290.09525	0.6
299.11813	0.8
316.14359	4.1
334.15457	9.0
359.18622	0.8
386.15192	0.7
386.20322	0.6
400.12167	0.6
414.14468	1.6
431.17212	3.7
449.18253	11.4
544.25916	3.8
562.26569	100.0
563.26392	1.1
579.24139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.7
55.05516	4.5
57.03438	3.4
57.07080	11.5
67.05506	7.0
69.07075	4.3
71.03513	1.2
71.04977	0.8
71.08605	0.7
79.05502	3.4
81.03387	1.6
81.07060	8.7
83.04976	2.3
83.08589	2.2
85.02854	0.5
85.06543	5.9
91.05477	2.6
93.07050	5.8
95.04961	1.1
95.08616	7.8
97.06502	1.7
97.10121	0.5
105.07047	2.6
107.08596	5.4
109.06528	4.8
109.10159	3.9
111.04398	0.9
111.08047	1.1
117.07041	0.9
119.08598	2.4
121.10135	3.3
123.08105	4.6
123.11681	1.3
125.05954	0.7
125.09638	0.6
131.08542	0.9
133.10149	2.7
135.08049	3.2
135.11664	2.1
137.05034	0.7
137.05975	7.7
137.09567	0.8
137.13188	0.6
139.07504	1.0
143.08556	0.8
145.10091	1.2
147.04355	1.0
147.07922	0.6
147.11668	2.0
149.09621	1.6
149.13239	1.0
151.07535	3.3
151.11119	1.3
152.08305	3.7
157.10141	1.1
159.11693	1.3
161.09612	1.1
161.13229	1.0
163.11137	1.5
165.09126	4.7
165.12749	3.5
166.09871	0.6
171.11636	0.6
173.13293	0.8
175.11203	1.6
177.09079	1.0
177.12714	2.0
179.10652	1.1
179.14290	1.1
185.13275	0.5
189.12819	0.8
191.14189	0.9
193.12202	2.1
194.12987	3.5
195.13808	0.6
207.13803	4.7
221.15239	0.6
229.14313	0.5
235.16934	0.7
240.55119	0.5
263.20074	2.0
267.15952	0.7
273.18265	0.7
277.21521	0.7
279.23026	0.6
284.47427	0.5
291.19742	0.6
307.73547	0.5
319.26309	5.7
322.23825	1.4
329.24969	0.7
335.25696	1.1
337.27380	0.8
347.25812	57.8
365.26880	30.2
378.26440	1.3
390.30118	1.7
393.29993	1.4
396.27432	1.1
403.28519	1.5
421.29504	100.0
422.29828	1.0
439.30569	24.9
458.22824	0.7
476.23959	2.6
476.47864	0.6
501.26010	5.8
519.27234	13.7
544.30896	1.3
562.31409	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	562.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01873	2.2
55.05516	7.7
57.03434	5.4
57.07067	3.4
61.64816	0.8
67.05183	1.3
67.05512	17.2
69.03450	1.9
69.07075	11.6
71.04980	1.2
71.08627	2.0
71.53133	1.1
79.05501	10.6
81.03440	5.2
81.07059	21.3
83.04976	3.6
83.08614	4.8
85.02915	3.9
85.06548	3.5
89.83907	0.8
91.05485	9.0
93.07055	14.4
95.04990	4.2
95.08615	13.4
97.02898	1.4
97.06552	4.8
97.10184	2.2
105.07029	7.8
107.04935	0.9
107.08598	13.9
109.02892	1.1
109.06526	8.1
109.10162	9.6
111.04453	3.9
111.08094	3.2
115.07538	0.9
117.07018	1.9
118.48625	0.7
119.08601	5.2
121.06541	1.2
121.10142	5.3
123.08051	5.2
123.11722	3.5
125.05996	2.1
125.09616	1.5
127.03982	0.9
129.06990	1.9
131.08588	2.5
133.10146	8.7
135.08086	6.3
135.11688	6.3
136.06186	0.8
137.05984	6.8
137.09685	1.7
137.13271	1.3
139.07578	1.3
143.05548	0.8
143.08583	1.5
145.10201	4.2
147.11668	3.1
149.09641	3.0
149.13306	1.5
151.07550	3.4
151.11147	3.8
153.12749	2.0
157.10143	1.4
159.11713	1.1
161.09651	1.4
163.11215	2.4
163.14842	1.0
165.09096	5.0
165.12788	2.3
167.10815	1.1
167.14368	1.2
173.09576	1.1
173.13258	0.9
175.11296	2.3
177.12782	2.4
179.10677	1.3
179.14311	1.9
181.12228	3.0
189.12624	0.9
191.10626	1.0
193.12291	3.1
205.15935	0.9
208.14900	1.0
208.16957	4.5
221.15456	1.4
221.19051	2.2
226.89102	0.8
229.14386	1.5
235.20557	1.9
253.14395	9.4
257.17587	4.5
263.20102	2.1
267.15881	1.7
271.15253	1.4
273.18304	1.3
279.23212	3.5
283.15552	0.9
285.16818	1.0
291.19528	1.6
303.27008	1.2
305.21307	1.8
305.24734	20.4
319.26343	10.1
329.24518	1.0
337.27325	1.2
347.25842	49.0
365.23065	4.9
365.26956	16.2
390.29984	2.4
390.75229	0.9
393.29926	1.2
403.28592	2.1
421.29523	100.0
439.30725	7.4
457.01038	0.9
459.27344	1.9
477.28232	4.8
501.25912	2.9
505.26715	0.9
519.27417	6.1
527.28790	1.0
544.30121	1.6
544.37524	1.1
562.31396	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	562.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01873	2.2
55.05516	7.7
57.03434	5.4
57.07067	3.4
61.64816	0.8
67.05183	1.3
67.05512	17.2
69.03450	1.9
69.07075	11.6
71.04980	1.2
71.08627	2.0
71.53133	1.1
79.05501	10.6
81.03440	5.2
81.07059	21.3
83.04976	3.6
83.08614	4.8
85.02915	3.9
85.06548	3.5
89.83907	0.8
91.05485	9.0
93.07055	14.4
95.04990	4.2
95.08615	13.4
97.02898	1.4
97.06552	4.8
97.10184	2.2
105.07029	7.8
107.04935	0.9
107.08598	13.9
109.02892	1.1
109.06526	8.1
109.10162	9.6
111.04453	3.9
111.08094	3.2
115.07538	0.9
117.07018	1.9
118.48625	0.7
119.08601	5.2
121.06541	1.2
121.10142	5.3
123.08051	5.2
123.11722	3.5
125.05996	2.1
125.09616	1.5
127.03982	0.9
129.06990	1.9
131.08588	2.5
133.10146	8.7
135.08086	6.3
135.11688	6.3
136.06186	0.8
137.05984	6.8
137.09685	1.7
137.13271	1.3
139.07578	1.3
143.05548	0.8
143.08583	1.5
145.10201	4.2
147.11668	3.1
149.09641	3.0
149.13306	1.5
151.07550	3.4
151.11147	3.8
153.12749	2.0
157.10143	1.4
159.11713	1.1
161.09651	1.4
163.11215	2.4
163.14842	1.0
165.09096	5.0
165.12788	2.3
167.10815	1.1
167.14368	1.2
173.09576	1.1
173.13258	0.9
175.11296	2.3
177.12782	2.4
179.10677	1.3
179.14311	1.9
181.12228	3.0
189.12624	0.9
191.10626	1.0
193.12291	3.1
205.15935	0.9
208.14900	1.0
208.16957	4.5
221.15456	1.4
221.19051	2.2
226.89102	0.8
229.14386	1.5
235.20557	1.9
253.14395	9.4
257.17587	4.5
263.20102	2.1
267.15881	1.7
271.15253	1.4
273.18304	1.3
279.23212	3.5
283.15552	0.9
285.16818	1.0
291.19528	1.6
303.27008	1.2
305.21307	1.8
305.24734	20.4
319.26343	10.1
329.24518	1.0
337.27325	1.2
347.25842	49.0
365.23065	4.9
365.26956	16.2
390.29984	2.4
390.75229	0.9
393.29926	1.2
403.28592	2.1
421.29523	100.0
439.30725	7.4
457.01038	0.9
459.27344	1.9
477.28232	4.8
501.25912	2.9
505.26715	0.9
519.27417	6.1
527.28790	1.0
544.30121	1.6
544.37524	1.1
562.31396	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	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15387	1.5
53.34275	1.5
55.01868	4.9
55.05508	11.8
57.03436	9.0
57.17666	1.7
61.02932	2.0
67.05505	44.9
69.03420	4.6
69.07069	14.3
69.25352	14.2
71.01344	2.4
71.04991	5.4
78.48416	1.5
79.05503	26.5
81.03422	26.6
81.07061	40.4
83.04990	9.2
83.08625	10.2
84.29141	1.5
85.02896	6.5
85.06527	4.9
91.04925	2.0
91.05482	32.5
93.07052	25.2
95.04973	13.9
95.08598	10.7
97.02903	3.1
97.06516	4.7
97.10156	5.3
104.10735	2.7
105.07034	26.3
107.04943	5.5
107.08598	26.0
109.06506	8.6
109.10159	39.2
111.04433	2.9
111.08080	3.5
117.07014	6.7
119.08583	11.5
121.06516	3.3
121.10152	11.1
123.08101	4.2
123.11698	5.4
125.09638	4.1
129.06990	2.1
131.08554	8.7
133.06508	4.2
133.10138	42.4
135.08084	6.7
135.11688	4.5
137.09641	2.5
143.08582	3.9
145.10094	4.8
147.08044	4.1
147.11682	5.6
149.09621	5.9
151.11186	20.3
157.10094	6.8
159.08018	2.5
161.09650	7.6
163.11252	2.7
165.09204	2.4
169.12253	3.5
171.11746	2.3
175.11192	5.1
177.05400	2.6
179.10756	2.1
184.07373	3.8
193.12251	9.9
211.13268	6.2
215.12755	2.3
229.14328	2.1
245.19266	1.8
253.14357	93.5
263.20129	2.5
267.15878	17.3
271.15524	13.6
273.18463	11.9
283.15457	3.6
285.16965	10.7
291.19592	14.8
301.16217	2.1
347.22128	5.4
365.23242	100.0
385.24054	3.3
403.23965	1.8
427.60861	1.7
439.30273	2.5
459.27740	10.2
477.22055	2.7
477.28488	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.1
55.01873	14.2
55.05507	20.5
57.03424	14.5
67.05180	8.0
67.05509	100.0
69.03420	9.6
69.07069	20.3
69.76550	27.9
71.04999	5.3
73.02906	5.3
79.05489	26.4
81.03425	57.1
81.07063	75.1
83.04977	11.2
83.08623	23.3
85.02898	34.7
85.06533	6.8
87.00827	17.8
91.05495	30.6
91.07212	5.2
93.07048	32.2
95.04974	16.4
95.08624	63.1
97.02892	10.0
97.06539	10.9
97.10154	17.8
98.21453	9.8
105.01875	16.4
105.07045	16.4
106.07376	5.2
107.08595	25.2
109.02863	15.1
109.10170	50.8
111.04451	5.7
111.08055	6.4
119.04932	6.0
119.08599	20.7
121.06513	6.8
121.10125	20.8
123.08096	7.0
123.11723	21.1
127.03905	16.0
131.08578	17.7
133.10130	18.7
135.08069	7.5
135.11736	9.3
136.06158	9.6
139.82196	5.3
145.04987	8.2
145.10124	14.4
147.04465	8.2
147.11687	12.4
149.09592	10.3
151.11215	9.5
157.10107	8.3
163.11240	11.5
165.12775	5.3
177.05493	10.6
193.12294	16.4
211.13237	9.8
217.55066	5.9
229.14375	13.1
233.40828	6.2
243.21101	8.5
253.14323	7.9
261.22089	6.6
267.15988	16.8
279.23227	63.7
285.16898	8.0
293.21158	8.4
347.25842	18.4
365.22986	9.4
365.26953	7.4
368.09796	5.5
387.25162	5.2
421.29532	32.1
459.27457	14.3
477.28348	38.4
491.26553	13.2
509.27350	7.8
562.38153	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67530	1.5
53.03936	3.2
55.01870	6.6
55.05512	19.0
57.03435	15.2
57.07068	2.0
61.02913	2.3
64.73858	1.6
65.03946	1.9
67.05184	2.7
67.05511	31.5
69.03422	7.0
69.07072	18.7
71.05002	1.7
71.35355	1.7
71.52868	3.2
71.56752	1.8
74.79270	1.7
79.05070	2.2
79.05499	25.5
81.03429	15.2
81.07061	30.3
83.04978	6.8
83.08628	14.1
85.02892	6.4
86.09670	1.8
91.03923	2.1
91.05489	21.1
93.07049	24.3
95.04967	13.0
95.08614	17.5
97.02883	5.7
97.06524	6.8
97.10169	15.8
105.07049	13.0
107.04962	10.2
107.08573	14.4
109.06530	9.5
109.10183	13.5
111.04445	2.6
111.08086	3.7
113.01763	1.8
113.06053	1.9
117.07015	8.6
119.04982	1.8
119.08580	14.3
121.06494	5.1
121.10117	9.4
123.08051	6.9
124.12325	1.6
125.09637	10.0
127.07546	4.6
129.07019	4.4
131.08569	8.0
133.06482	5.1
133.10136	6.8
135.08025	5.0
135.11670	8.6
137.09633	4.0
143.08507	2.0
145.10097	11.2
147.04408	1.9
147.08057	5.8
147.11684	5.2
149.09636	2.7
149.13225	2.9
157.10159	4.7
159.11684	3.7
161.09662	4.5
163.11241	10.3
171.11665	2.8
175.11200	5.3
189.11212	3.6
193.12265	7.9
195.13799	1.7
209.11902	2.1
211.13264	4.5
223.13348	9.8
227.12862	12.7
229.14383	7.4
235.13666	1.7
242.49117	1.7
249.14893	2.5
267.15967	6.7
273.18533	11.8
283.15414	7.8
285.16940	7.6
291.19543	68.8
299.14954	2.3
301.16376	3.1
317.38242	2.0
347.22073	7.4
365.23239	100.0
403.28394	2.4
436.36032	1.9
437.25272	6.6
459.27454	3.1
477.28827	2.7
509.27374	7.3
527.28436	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	562.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84787	3.0
53.42377	3.0
54.94125	2.9
55.01873	6.1
55.05314	2.7
55.05516	29.3
57.03445	14.9
57.07080	3.3
67.05510	46.3
69.03415	8.1
69.07067	20.8
70.41555	4.3
70.41875	6.9
71.04980	6.4
79.05498	37.6
81.03420	66.2
81.07056	34.2
81.43678	3.0
82.75948	3.2
82.99079	3.3
83.04974	11.8
83.08615	26.5
85.02924	16.0
85.06528	5.8
87.04462	4.3
91.05478	39.2
93.07053	28.1
95.04985	26.4
95.08614	23.9
97.02888	9.7
97.06523	7.7
97.10167	16.2
100.32121	3.4
105.07035	20.9
107.04945	8.9
107.08604	24.0
109.06553	8.6
109.10168	26.4
111.04473	4.1
111.08075	9.1
117.07012	7.5
119.08600	18.2
121.10156	18.5
123.08091	6.7
125.09629	13.1
129.06999	11.3
131.08572	16.8
133.06451	4.4
133.10178	15.6
135.08028	9.9
135.11685	10.3
137.05983	4.1
145.10139	12.4
147.08064	9.0
147.11690	10.4
149.09631	7.1
151.11163	4.4
153.12663	4.2
157.10107	12.0
159.11659	4.0
161.09549	3.5
163.11191	9.0
165.09094	5.9
173.11693	5.3
175.11215	10.1
186.08974	3.2
189.11224	7.7
193.12239	29.4
197.11591	3.8
209.11665	4.5
211.13283	18.6
223.13272	11.5
227.12819	11.8
229.14430	15.0
267.15918	33.5
273.18445	9.5
283.15387	7.1
285.16995	20.0
291.19547	88.1
301.16214	5.9
347.25732	16.9
365.23239	100.0
365.27054	6.2
367.22662	5.1
385.23700	5.4
421.29410	35.5
439.30536	5.2
459.27570	40.0
477.28540	39.8
481.73749	3.6
527.28424	8.7
562.31268	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67392	1.2
53.74710	1.2
55.01870	2.7
55.05513	11.5
57.03445	11.5
67.05507	18.4
68.56602	1.2
69.03407	3.1
69.07066	6.4
70.10789	2.3
70.11171	2.0
71.04991	3.5
79.05500	20.6
81.03423	86.1
81.07058	22.1
83.04977	8.5
83.08165	1.5
83.08628	20.1
85.02914	11.1
90.93694	1.2
91.05488	26.6
93.07045	13.4
95.04971	26.1
95.08603	9.4
97.02889	2.4
97.06522	3.6
97.10162	4.3
105.07034	17.6
106.57075	1.2
107.04982	6.3
107.08589	6.5
109.06520	4.7
109.10165	3.8
111.04443	2.7
111.08095	10.4
113.06072	1.4
115.05453	2.7
117.07033	3.0
119.08587	18.0
121.06516	4.7
121.10155	9.3
122.52980	1.2
123.08055	3.7
125.09644	4.0
128.06216	1.7
129.07008	11.0
131.08601	11.3
133.06519	3.3
133.10117	7.1
135.11754	1.5
137.09612	2.2
142.07776	1.9
145.06479	3.2
145.10109	2.9
147.08046	3.5
147.11690	9.7
149.09601	5.1
157.10139	14.1
159.11955	1.4
159.37897	1.3
163.11176	2.2
165.12741	1.7
175.11201	11.0
193.12263	34.3
204.14072	1.2
211.13268	19.4
227.12810	2.2
229.14305	2.4
249.14926	2.5
267.15924	100.0
273.14783	2.6
283.15448	2.1
285.16946	20.2
291.19720	2.5
299.73553	1.3
349.21506	2.5
365.23175	2.1
367.22647	12.4
385.23721	13.1
403.24698	2.6
433.25912	9.6
441.26410	5.8
459.27429	51.0
477.28506	43.9
540.83893	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00853	0.8
53.03934	3.4
53.27044	0.9
53.29425	0.9
55.01870	1.7
55.05503	2.6
57.03434	1.7
58.00979	1.0
61.02926	1.9
67.05489	3.6
69.03435	10.1
69.07076	1.6
70.06568	2.5
71.05002	8.3
73.02898	1.3
79.05487	4.6
81.03418	13.7
81.07069	2.3
81.63063	1.1
83.04987	2.3
84.08126	1.1
85.02911	70.6
86.09721	2.2
91.03946	1.2
91.05501	6.3
93.07049	6.5
95.04984	1.9
95.08623	3.5
97.02895	20.9
97.06506	1.9
99.04463	36.7
99.05116	1.9
103.03950	96.4
105.07034	5.4
107.04977	1.5
107.08598	31.0
109.02886	17.7
109.10159	2.3
111.08053	1.3
117.07027	1.7
119.08583	10.9
120.08052	1.3
121.06489	2.8
121.10152	2.8
123.04452	3.2
123.08077	12.1
125.09605	1.7
127.03928	100.0
131.08507	1.3
133.10100	3.1
133.86723	1.0
135.08072	7.2
135.11682	6.8
137.09700	1.0
139.03813	1.1
139.07559	1.4
141.05432	1.2
145.04968	67.0
145.10071	1.5
147.08035	1.9
149.05943	2.0
149.09698	1.2
151.03923	1.2
151.07576	2.8
153.09109	10.8
158.38966	1.1
159.11707	11.9
161.09630	4.8
161.13300	2.4
163.06030	91.8
163.11185	3.6
165.09122	4.0
177.12764	3.9
179.10674	11.8
181.04900	1.6
181.08606	2.2
184.07422	1.1
187.06097	4.7
187.11226	1.9
205.07144	4.8
205.12251	15.0
223.13313	20.2
241.14317	6.6
253.07138	1.3
271.08167	10.0
289.09192	12.5
307.06732	1.9
307.10269	37.0
329.49069	1.2
362.77322	1.0
462.15820	1.1
564.18286	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	564.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.6
55.05518	20.1
56.25736	2.4
57.03435	18.2
57.07077	2.9
61.02935	5.7
61.54696	1.9
65.03933	2.9
65.80620	2.1
66.94449	2.1
67.05507	56.1
68.98892	2.1
69.03434	6.9
69.07067	26.9
69.99953	10.8
71.05000	4.9
73.02924	2.3
79.05496	46.7
81.03429	17.9
81.07064	69.8
83.04980	12.8
83.08616	15.4
85.02901	13.1
85.06542	5.9
86.09733	2.1
91.05489	39.1
93.07053	51.7
95.04981	12.5
95.08604	29.2
97.02898	7.0
97.06552	24.8
97.10172	9.2
98.20803	3.1
99.04404	2.8
99.08092	3.9
105.07044	25.6
107.04977	8.9
107.08607	34.2
109.02894	2.7
109.06520	5.2
109.10170	16.9
111.08096	6.9
117.07040	11.6
119.04913	3.6
119.08598	20.3
121.06522	4.8
121.10125	13.5
123.08114	3.6
123.11671	2.7
125.09625	5.3
127.03930	5.0
129.05464	2.4
129.06999	5.3
131.08580	17.2
133.10167	17.4
135.08092	5.2
135.11673	20.0
137.05971	2.5
137.09596	2.5
139.11189	2.2
143.08563	3.6
145.02821	3.5
145.10126	12.6
147.04362	3.8
147.08008	2.8
147.11684	11.6
149.09628	9.5
149.13268	14.1
153.12793	3.0
157.10139	6.5
159.11702	20.7
161.13309	2.8
163.11186	10.6
171.11664	3.5
173.11761	5.2
173.13191	3.7
177.05476	6.8
177.12735	22.2
179.14307	7.7
184.07387	7.2
189.11090	2.4
193.12288	5.2
195.13722	4.2
211.13303	8.4
227.12839	6.1
229.14456	5.6
239.17967	3.0
246.08228	2.8
251.16345	5.4
255.15944	36.7
257.19043	6.7
267.15945	8.4
269.17496	100.0
275.20035	16.8
285.16968	3.3
293.21106	3.3
301.16522	3.8
309.20615	7.5
331.26361	2.7
349.23767	48.1
349.27588	1.6
355.15421	4.4
367.24841	17.9
389.26990	6.1
391.24188	2.5
405.29706	4.1
413.21823	3.1
493.28049	5.0
511.29233	6.6
529.30072	2.7
564.30963	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	564.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01878	10.8
55.05519	18.5
57.03444	17.2
59.95437	2.0
59.97338	1.9
61.02922	4.4
62.06094	2.0
65.03928	4.8
67.05512	60.8
69.03432	8.4
69.07072	28.1
69.30687	16.2
71.04980	6.5
73.02924	3.9
79.05502	47.5
81.03430	16.8
81.07064	71.8
83.04999	11.2
83.08621	16.9
85.02911	9.8
85.06532	2.6
91.03947	2.2
91.05486	36.6
93.07053	50.2
95.04978	10.9
95.08619	26.2
97.02898	7.3
97.06541	23.9
97.10170	6.2
99.04466	3.5
99.08103	4.1
105.07042	29.3
107.04961	7.5
107.08603	31.9
109.02864	2.0
109.06525	6.5
109.10186	11.8
111.04446	2.1
111.08074	6.3
117.07035	14.4
119.08584	21.6
121.06542	4.6
121.10164	19.1
123.08035	4.6
123.11739	4.4
125.09637	5.9
127.03930	2.8
129.06982	5.2
131.08588	22.0
133.10141	20.9
135.08078	4.6
135.11707	20.7
137.09653	3.8
141.06979	3.1
143.08534	3.9
145.10126	17.4
147.11665	11.5
149.09644	13.5
149.13251	10.7
151.11217	2.3
153.12639	2.6
157.10173	6.6
159.11702	27.7
161.13287	5.5
163.03960	3.0
163.11201	10.2
165.12790	1.8
168.10916	1.7
169.10063	2.4
171.10281	1.9
171.11687	4.6
173.11845	2.3
173.13251	6.0
177.05624	2.4
177.12744	25.0
179.14288	8.7
181.12163	4.4
183.11711	2.5
184.07332	2.3
193.12276	5.6
195.13831	7.1
196.79620	2.1
197.13358	4.0
211.13290	5.5
227.12827	4.2
229.14331	5.3
229.19536	3.4
239.17989	5.3
247.20721	2.4
251.16536	5.0
255.15923	44.3
257.18958	7.7
267.15939	4.5
269.17496	100.0
275.20102	31.4
285.16971	4.2
293.21146	4.1
298.27493	6.1
301.16440	2.5
349.23758	79.5
355.15402	6.5
367.24811	24.5
383.85681	1.8
413.21600	2.5
493.27557	1.9
511.29153	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.6
55.01872	8.4
55.05278	3.7
55.05517	45.6
55.44389	3.4
57.03432	25.6
57.39265	3.4
61.02909	7.0
64.09804	3.6
65.03947	3.9
67.05509	100.0
69.03433	16.2
69.07082	24.9
71.04986	8.5
73.02911	5.3
79.05497	71.5
81.03422	45.9
81.06590	5.6
81.07057	79.0
83.05009	21.4
83.08627	30.7
85.02917	22.6
91.03915	4.5
91.05484	82.7
93.07050	76.9
95.04984	36.8
95.08606	37.2
97.02903	12.9
97.06541	34.5
97.10155	14.5
99.08128	4.2
103.03956	4.2
105.07046	46.2
107.04951	12.2
107.08585	43.5
109.06505	10.8
109.10163	50.5
111.08095	12.1
117.03362	5.7
117.07044	21.1
119.08592	39.7
121.06499	10.7
121.10139	29.1
123.08084	7.1
125.00032	3.7
125.09621	20.1
127.03911	5.1
129.07014	14.2
131.08580	32.7
133.10147	42.2
135.08047	7.3
135.11685	15.9
137.09592	5.0
145.02896	21.9
145.10144	31.2
147.08060	6.2
147.11700	24.0
149.06009	5.8
149.09618	16.7
149.13287	8.2
155.08528	4.9
155.10744	4.0
157.10126	16.2
159.11736	17.1
161.13226	5.3
163.03882	4.2
163.11169	14.1
169.10152	5.2
171.11758	7.0
173.09689	4.4
173.11804	18.6
173.13118	6.8
175.11191	9.8
177.05511	33.9
177.12744	9.7
181.12352	5.8
183.11598	6.6
184.07353	13.3
189.11249	8.1
191.92099	4.3
193.12279	29.1
199.13210	5.2
199.14867	9.5
209.11816	7.7
211.13255	36.4
217.15988	11.6
219.17673	4.6
223.13397	4.4
227.12817	9.8
229.14348	62.9
239.18016	10.1
255.15912	22.0
257.19034	19.2
259.09842	7.2
267.15906	14.2
269.17502	46.2
275.20117	51.4
283.15521	7.2
285.16983	32.5
291.19382	3.8
293.21188	9.1
301.16458	14.5
309.20529	24.9
344.52737	3.9
349.23740	96.7
355.15289	11.2
367.24817	61.1
373.16550	5.5
390.96375	3.8
392.24857	3.9
439.26682	7.2
475.26791	10.2
493.28214	4.7
511.28888	25.8
564.23456	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	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60191	2.0
55.01866	2.5
55.05511	13.3
57.03441	12.6
57.07071	2.9
65.03935	3.6
67.05507	62.4
67.08651	1.8
69.07059	21.2
69.20773	17.4
70.06580	1.9
79.05065	3.2
79.05494	36.0
81.07058	68.0
83.04963	3.4
83.08636	9.8
85.06551	3.0
86.21340	1.9
91.05479	23.0
93.06490	3.5
93.07048	56.8
93.07635	2.7
95.04964	2.8
95.08597	32.0
97.06522	6.8
97.10165	3.6
98.20718	4.6
99.08149	2.1
105.07013	14.0
107.08593	29.2
109.10161	8.9
111.08049	2.9
117.07025	8.4
119.08595	13.6
121.06481	4.8
121.10145	22.6
131.08588	12.0
133.06473	2.8
133.10103	7.7
135.11696	10.5
145.10117	3.8
147.11707	4.8
149.13257	18.3
157.10129	2.3
159.11697	11.8
161.13330	2.4
175.11169	5.4
177.12761	18.4
195.13797	8.0
213.14897	2.4
219.13765	13.4
241.12204	3.7
243.21103	4.2
260.79312	2.1
261.22150	7.7
269.17484	61.5
327.19513	7.5
335.25803	66.5
366.92740	2.5
529.38855	100.0
564.27423	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1188
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.7
55.01633	0.1
55.01873	1.5
57.03443	0.9
61.02939	0.7
65.03932	0.2
67.01872	0.2
68.99793	0.9
69.03429	6.5
70.91438	0.2
70.91786	0.2
71.01345	0.2
71.04997	0.8
72.46414	0.1
73.02560	0.1
73.02918	1.6
75.57331	0.1
81.03419	8.0
83.01349	0.1
85.02907	11.0
87.00829	5.2
87.04457	0.2
91.03935	0.5
92.02607	0.5
93.03378	0.6
97.02892	4.0
99.04453	2.6
105.01868	2.6
109.02881	6.6
111.00757	0.2
116.23149	0.1
117.01868	0.9
120.02103	0.1
121.02860	0.9
126.03117	0.2
127.03921	9.8
129.01843	0.9
139.03885	0.8
145.04953	2.9
147.02881	0.4
149.02333	0.2
151.03926	0.6
153.01822	5.6
157.78555	0.1
159.02893	4.3
163.03885	0.2
165.01874	0.6
177.05463	0.1
183.02888	0.2
196.28848	0.1
200.04761	0.2
201.05530	0.4
203.03404	0.2
213.03882	0.4
217.04979	0.5
218.05742	0.6
228.04204	1.0
229.04955	2.7
231.02995	0.2
231.05046	1.3
239.03407	0.1
243.06580	0.2
245.04451	0.9
246.05246	1.5
256.03711	0.2
257.04453	1.8
257.92914	0.1
260.03210	0.3
261.07623	0.2
273.03894	1.4
274.04727	3.7
274.07565	0.3
284.03223	0.2
285.03934	3.6
287.02118	0.1
288.06332	0.2
301.03439	0.2
302.04224	10.7
317.06549	100.0
318.06903	0.6
359.07730	0.3
425.08295	0.2
539.37347	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	565.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63241	0.6
56.72764	0.5
67.05483	0.8
69.07073	0.7
77.84895	0.7
81.07049	1.1
85.86363	0.6
91.05505	0.8
98.21633	1.0
105.07068	1.0
107.08582	0.7
111.72932	0.6
112.59753	0.6
119.08542	0.5
127.40539	0.7
130.55923	0.6
133.10158	0.6
145.10036	0.6
210.67802	0.6
229.51645	0.7
237.10428	0.7
242.93629	0.6
273.29944	0.6
282.27979	1.2
310.31055	1.1
376.17059	1.3
377.17520	1.2
378.18634	1.1
379.19232	1.8
389.17844	1.1
390.18533	1.0
391.19312	2.0
392.20532	0.7
393.20865	2.3
402.18744	0.7
404.20435	1.6
405.16507	0.9
405.21146	4.7
406.17749	1.9
407.18250	1.6
407.22592	2.1
419.18628	1.0
419.23239	0.9
420.15256	0.8
420.23737	1.0
421.20093	7.6
432.19104	0.7
433.16483	2.2
433.24335	1.0
434.17471	2.2
435.17648	8.1
436.22662	9.5
437.23654	0.7
445.19751	0.8
447.17642	1.2
447.22403	1.1
448.18964	1.9
449.19623	13.5
452.22012	1.1
460.22708	0.8
463.21344	6.2
464.22122	2.7
475.20612	5.3
477.23019	3.2
480.21542	0.9
491.24435	1.4
492.21567	17.0
493.26031	3.5
493.32291	0.7
503.24493	4.1
508.20804	3.5
509.25674	6.0
519.24139	1.7
521.25421	4.0
522.22687	1.2
537.25055	24.1
547.23352	1.3
565.24487	100.0
566.24957	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.6
55.05508	19.7
55.49528	4.6
57.07074	8.1
62.33371	4.4
67.05511	35.6
69.07073	25.1
71.53518	8.1
76.40816	4.5
79.05498	18.9
79.18218	4.7
81.07059	51.6
83.08617	13.1
91.05482	51.6
93.07052	56.1
95.04978	6.8
95.08607	48.3
97.10153	6.3
103.05499	5.6
105.07040	71.2
107.08592	42.4
109.10166	42.7
115.05493	6.7
117.07033	20.4
119.08585	100.0
121.10155	77.9
123.11729	15.7
126.20084	5.7
128.06198	10.1
129.07005	18.3
130.07861	8.7
131.08551	33.8
133.10167	49.8
135.11700	39.0
137.09622	6.1
142.07806	15.6
143.08565	32.0
144.09412	6.1
145.10136	94.8
145.33078	5.0
147.11731	31.0
153.06963	6.0
155.08580	20.4
156.09370	18.5
157.10135	50.9
159.08064	12.9
159.11732	19.3
161.13254	13.1
163.11127	8.8
167.08527	7.6
167.10680	31.1
169.10123	30.8
170.10939	7.1
171.11681	24.8
173.09637	7.5
173.13304	17.4
175.14850	23.9
179.08519	7.8
180.09378	7.2
181.10179	15.9
182.10909	13.2
183.11739	21.9
185.13240	13.6
187.14888	15.9
188.20898	5.4
189.12785	11.1
193.10139	13.3
194.10976	11.1
195.11707	18.9
196.12527	7.1
197.13313	29.3
199.11298	7.5
199.14778	6.1
199.42903	6.0
201.16496	7.6
206.10953	7.3
207.11760	12.6
208.12575	6.9
209.13313	26.6
211.14883	16.8
215.14296	12.3
221.13351	12.6
223.14827	22.7
233.13260	10.5
233.15402	75.7
235.14896	10.5
267.20987	7.6
273.18622	14.7
279.21143	5.6
288.48898	5.3
299.20065	29.8
311.20053	10.7
345.25751	14.6
363.23260	8.5
405.27841	8.5
443.29327	18.6
467.37183	12.9
472.23013	5.8
547.39709	17.8
565.40552	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.05522	18.0
57.00848	2.8
57.03442	5.5
57.07067	10.1
59.69904	2.7
65.03936	4.2
65.89104	3.5
67.05513	44.3
69.07085	18.9
69.10912	2.9
69.59090	4.9
69.59498	15.4
71.08625	3.5
79.05510	28.6
81.07061	47.5
83.08621	9.3
85.92079	4.1
91.05494	44.6
92.27534	3.0
93.07050	51.1
95.04970	7.1
95.08619	32.3
98.21521	3.9
101.56795	3.2
103.05470	3.3
105.07043	70.2
107.08605	53.8
109.06528	4.0
109.10169	45.3
115.05480	4.6
117.07031	16.4
119.06045	3.5
119.08593	100.0
121.10155	57.3
121.83426	3.5
123.08104	5.6
123.11698	16.1
128.06247	10.4
129.07043	12.8
131.08560	29.5
133.10135	42.6
135.08052	5.9
135.11696	32.0
137.09642	4.8
141.07106	3.2
142.07819	16.7
143.08575	30.3
144.09381	6.3
145.10153	47.1
147.11725	19.3
149.09637	3.8
149.13263	9.3
149.19814	3.8
155.08577	15.3
156.09349	11.0
157.10156	50.3
158.10927	4.6
159.08003	4.6
159.11719	26.9
161.13263	11.5
165.07033	6.3
167.08562	7.2
167.10678	7.8
168.09433	6.3
169.10101	27.4
171.11687	21.5
173.09732	6.8
173.13286	18.6
175.11205	7.6
175.14874	30.8
177.12801	7.5
179.08598	8.3
181.10146	13.5
182.10957	11.2
183.11755	25.4
185.09610	4.9
185.13242	12.8
187.11160	4.6
187.14839	8.1
189.12810	7.0
189.16470	3.1
193.10181	9.4
194.10974	7.0
195.11771	15.9
196.12506	5.4
197.09773	2.9
197.13269	21.7
199.11165	8.4
201.12784	4.1
201.16418	7.1
206.10960	8.3
207.11748	13.5
208.12413	5.3
209.13271	14.4
211.11255	4.0
211.14851	7.2
213.12743	4.2
215.14294	5.6
219.11795	3.5
219.13837	5.0
220.12431	5.2
221.13263	12.2
222.13815	4.3
223.14841	20.9
225.12747	5.9
232.12486	3.8
233.13258	8.0
233.15363	5.5
235.14713	7.6
239.18065	3.6
241.15796	3.0
247.14799	4.8
263.18011	5.2
269.17508	10.1
270.17944	6.6
273.18591	37.1
279.21109	5.1
282.27777	4.0
289.15744	4.3
299.20111	37.7
310.31250	5.2
319.24072	4.0
336.26196	8.8
443.29758	3.4
473.33865	7.4
513.03668	3.9
530.39368	20.6
547.39374	4.1
565.40363	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.0
55.05507	16.6
57.07071	10.7
59.04996	2.9
63.65733	2.7
65.03922	3.5
65.58331	3.4
67.05508	33.3
69.07072	18.2
71.08533	8.4
79.05495	19.6
81.07063	36.2
83.08611	8.6
91.05083	2.9
91.05501	31.8
93.07047	46.0
95.04978	7.6
95.08616	39.0
95.67036	2.8
98.21342	4.3
103.05460	5.0
105.07034	68.9
107.08599	49.0
109.06508	8.4
109.10158	53.2
115.05407	3.9
117.07038	19.1
119.08585	100.0
121.10156	62.9
123.08105	3.7
123.11735	16.7
128.06236	9.3
129.07016	13.3
130.07790	4.3
131.08565	26.2
133.10133	48.2
135.08057	8.6
135.11707	25.8
141.07030	6.9
142.07809	18.4
143.08559	33.9
144.09354	3.9
145.10135	50.1
147.11705	19.8
149.09656	4.6
149.13252	3.8
155.08537	10.8
156.09329	10.7
157.10144	63.4
158.10931	6.1
159.08028	9.5
159.11699	25.2
161.09653	5.0
161.13264	11.7
165.07008	6.4
167.08588	8.2
167.10686	7.6
168.09369	5.9
169.10106	20.7
170.10884	7.9
171.11694	25.8
173.09602	6.9
173.13245	20.2
175.11200	3.4
175.14854	37.6
179.08582	9.9
181.10135	12.4
182.10959	11.7
183.11693	24.5
185.09668	5.6
185.13248	11.1
187.11209	5.2
187.14839	16.0
189.12753	3.9
191.08423	3.9
193.10158	10.8
194.10802	5.4
195.11775	16.2
196.12381	5.9
197.13300	29.8
199.11192	8.4
199.14923	4.9
201.12811	4.5
201.16455	7.8
206.10928	6.8
207.11725	13.6
208.12488	5.2
209.09698	3.3
209.13289	10.6
211.11226	3.8
211.14868	9.6
213.12689	6.3
213.16368	10.5
215.14240	5.6
218.10818	5.7
219.11644	5.5
221.13290	11.3
222.14047	3.6
223.14812	16.1
225.12799	9.9
231.11777	5.0
232.12343	3.4
233.13319	6.9
233.15396	4.9
235.11121	3.9
235.14799	5.7
237.16396	4.1
239.17871	5.3
245.13469	4.6
249.16451	4.3
257.13181	3.8
259.14752	4.2
261.16360	3.8
263.14218	3.2
271.14703	3.5
273.18631	24.8
279.21033	7.2
282.28073	3.7
286.35391	3.2
291.17450	3.1
291.21011	5.5
299.20114	40.0
309.17331	3.4
310.31110	7.4
321.49567	3.2
351.23325	4.7
359.23309	3.2
365.24762	3.7
368.67505	3.1
389.24582	3.4
443.29443	8.5
459.33121	3.1
467.37384	14.8
473.34009	10.4
547.39435	6.8
565.40387	87.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84366	1.2
53.03947	2.7
55.05513	8.7
57.03426	1.0
57.07074	5.4
65.03934	1.5
65.15347	1.1
67.05508	13.0
69.03419	3.4
69.07074	9.7
69.15504	9.1
69.15923	2.9
71.08638	1.7
79.05505	14.5
80.05037	1.7
81.03401	2.7
81.07057	16.2
83.05003	3.9
83.08621	3.0
85.06532	1.9
85.38537	1.2
91.05489	22.5
91.06024	1.8
93.07052	27.2
95.04959	7.4
95.08610	17.4
97.06552	2.8
97.10204	1.6
98.21511	2.4
103.05499	1.9
105.07041	39.1
107.08606	19.2
109.06537	4.8
109.10162	13.9
115.05490	2.8
117.07051	7.7
119.08592	42.5
121.06480	2.2
121.10153	28.1
123.04428	1.7
123.08050	6.4
123.11752	3.9
125.06045	3.4
128.06250	5.4
129.07037	8.3
130.07819	4.4
130.83023	1.3
131.07703	1.9
131.08583	14.7
133.10144	24.0
135.08093	4.2
135.11697	8.0
137.09604	3.5
141.07036	2.8
142.07787	10.1
142.71025	1.2
143.08582	16.4
144.09404	2.7
145.10130	25.7
145.11163	2.1
147.08083	7.6
147.11720	7.7
149.09691	3.8
151.07547	6.3
153.07021	2.3
154.07857	1.6
155.08582	8.5
156.09357	8.3
157.10152	24.6
158.10928	2.8
159.08147	2.9
159.11723	13.7
161.09586	2.4
161.13312	3.4
163.11227	5.8
165.07053	2.2
165.09119	14.4
166.07838	1.4
167.08618	4.9
167.10696	3.8
168.09355	2.4
169.10136	12.5
170.10954	3.8
171.11705	11.8
173.13287	12.8
175.11258	2.2
175.14809	2.8
179.08586	5.8
180.09402	3.1
181.10143	8.0
181.12299	5.2
182.10971	3.3
183.11723	9.9
185.13261	10.7
187.11263	1.6
187.14902	3.2
189.12834	3.1
191.14355	1.7
192.09393	2.7
193.10144	9.2
194.10953	4.7
195.11728	12.4
196.12534	3.9
197.13231	11.0
199.14847	7.4
201.16402	2.8
203.14333	6.4
205.10207	3.0
206.11005	5.5
207.11739	10.2
207.13815	3.2
208.12521	4.1
209.13300	11.8
211.11252	1.5
211.14844	7.6
213.16457	3.4
217.10222	2.3
217.12215	1.4
218.11006	2.7
219.11722	4.5
220.12480	2.5
221.13297	8.9
221.15439	25.7
222.14134	1.8
223.14775	6.3
225.16537	3.2
231.11719	3.7
232.12465	2.1
233.13268	4.6
233.15318	2.2
234.14098	2.4
235.14929	5.6
237.16431	4.9
239.18039	3.4
243.11891	1.6
244.12613	1.2
245.13321	4.8
246.14185	2.2
247.14893	4.7
248.15642	1.9
249.16527	3.9
250.17325	2.2
251.18031	3.2
253.19553	3.0
257.13318	1.5
258.14072	1.7
259.14929	3.7
260.15466	1.3
261.16464	5.1
262.17206	1.9
263.17932	5.4
265.19598	5.0
271.14783	1.9
272.15668	2.2
273.16333	2.7
274.17130	1.5
275.18005	4.3
277.19565	3.1
279.20911	2.3
283.20645	1.4
289.19669	1.7
301.19516	2.8
303.21164	1.5
313.27499	2.6
329.22351	1.7
331.24258	3.8
335.23782	1.2
343.24362	2.1
357.25842	4.5
359.23447	1.5
373.25418	1.3
385.29083	4.2
407.29349	1.3
412.27438	1.6
458.26068	1.3
473.34219	8.6
485.33936	1.7
509.33957	1.9
547.39484	9.4
565.40466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
60.07937	0.6
60.08167	6.7
63.79736	0.6
67.05503	0.9
67.80162	0.8
69.07043	0.7
71.07386	3.6
75.01282	0.6
79.05471	0.9
81.07046	0.8
86.09712	33.8
91.05495	1.2
93.07062	0.8
98.98430	2.7
104.10757	12.6
105.69181	0.6
109.10125	0.6
125.00018	20.6
129.22473	0.7
160.78099	0.6
184.07355	100.0
331.61768	0.6
466.25650	2.0
520.78125	0.6
530.71155	0.6
531.49274	0.7
534.31842	1.7
548.33441	1.9
566.35223	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	566.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.05517	11.2
57.07077	2.2
67.05509	20.1
69.07075	10.3
70.76143	2.5
77.82433	1.3
79.05497	38.1
81.07063	24.7
83.04968	1.3
83.08617	3.8
91.05486	16.9
93.07047	50.0
95.04967	3.5
95.08608	16.7
97.06546	1.8
97.10181	2.5
98.91332	1.2
105.04549	2.0
105.07035	10.1
106.66277	1.1
107.08608	26.5
107.82571	1.5
109.10160	9.2
111.04433	2.3
117.07033	2.4
119.08589	9.8
121.10146	23.3
121.10995	0.8
123.11697	2.1
129.07057	1.5
131.08615	6.2
133.10141	10.4
135.11707	25.3
137.09590	1.6
143.08580	2.5
145.10117	5.6
147.11708	6.7
149.09639	1.3
149.13269	17.4
151.11223	1.4
157.10202	1.1
159.11696	3.2
161.13300	4.3
163.11192	1.3
163.14856	4.3
171.11674	2.1
173.13322	2.1
175.11317	1.2
175.14896	3.4
177.12749	1.4
181.72145	1.2
187.21173	1.1
199.15024	1.7
227.12848	3.5
231.17532	1.6
235.16818	2.0
241.14409	5.3
241.19548	3.5
249.18561	1.4
259.20615	6.4
271.15475	2.4
282.27969	1.9
291.19885	2.9
291.23199	58.8
310.31274	1.4
335.25974	1.6
380.19266	1.8
406.21274	4.4
420.23135	2.0
422.20288	2.0
434.16760	1.2
434.24228	1.6
435.17642	2.2
436.18109	2.7
437.22815	6.1
448.22235	2.5
449.19336	2.4
450.19940	7.1
453.22699	1.9
464.21848	3.5
476.21664	4.7
493.21716	9.8
494.26489	3.1
504.24802	7.9
510.25699	3.9
522.25922	4.0
538.25372	17.2
566.24780	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	10.0
55.01861	3.6
55.05507	20.4
56.30620	3.3
58.87568	2.5
60.08155	4.4
67.05496	13.1
69.03432	29.6
69.07076	27.9
69.19488	28.0
71.01357	4.1
71.04983	9.7
73.02904	4.0
79.05494	20.1
81.03423	28.9
81.07051	24.0
83.04984	50.1
83.08625	7.8
85.02906	33.5
86.09704	16.5
87.00824	7.6
87.10020	3.8
88.72672	3.0
91.05475	25.3
93.07037	22.3
95.04958	14.4
95.08614	12.3
97.02905	14.0
97.06532	51.9
97.07142	3.2
99.04452	21.0
100.11274	22.2
103.02885	2.8
104.10756	5.9
105.07037	50.1
107.04925	7.0
107.08595	25.1
109.02889	20.5
109.06519	8.6
109.10180	9.3
111.04427	5.5
111.08090	3.7
113.83836	2.6
115.07507	3.3
117.07047	7.1
119.04926	4.7
119.08601	14.8
121.06502	26.6
121.10115	14.3
123.04475	4.0
123.08119	4.5
125.00001	15.2
125.05997	70.5
125.09700	2.8
127.03937	29.1
129.01772	3.5
129.06992	5.0
130.07780	7.6
131.04968	2.9
131.08594	19.5
133.06485	8.4
133.10147	11.7
135.08052	6.6
135.11713	6.7
137.05983	19.8
137.09621	4.8
139.11252	4.4
143.07037	47.6
143.08559	6.2
144.09363	3.8
145.04959	8.2
145.06512	9.6
145.10129	63.5
147.04411	7.1
147.08055	6.6
147.11740	4.7
149.09651	9.5
151.07559	11.6
152.31328	3.0
157.06544	4.7
157.10146	8.8
158.07222	4.9
159.02835	5.6
159.08083	7.5
159.11700	27.1
161.09668	7.0
161.13301	3.4
163.07686	4.5
163.11197	21.2
165.05531	3.1
165.09119	3.1
169.08704	6.8
169.10109	8.0
171.08052	3.5
171.11676	6.2
172.08896	3.6
173.09641	47.8
173.13261	4.3
175.11224	4.6
177.12735	15.9
179.03372	16.0
182.15479	11.9
184.07362	57.7
185.07654	13.5
185.13354	5.4
187.11171	51.0
189.12721	3.6
191.10670	22.4
197.09721	4.8
198.53383	2.8
205.12241	38.5
209.11720	11.7
209.16389	3.9
210.14940	9.4
211.15164	3.6
215.10680	51.0
227.12752	10.8
231.05132	4.1
233.11700	32.4
241.15846	3.3
251.12766	14.7
269.13904	3.9
271.20581	4.5
283.20642	6.1
297.24185	2.8
301.21637	22.3
319.22684	100.0
330.80441	3.0
395.17026	4.8
413.18152	13.3
453.34579	5.3
518.20563	3.4
557.92151	6.2
566.92883	7.9
567.28564	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	567.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	9.6
55.01872	9.6
55.05513	19.5
57.03450	6.0
67.05515	28.4
68.99803	3.0
69.03435	31.1
69.07082	34.9
70.06589	4.0
71.04993	11.4
71.51962	6.3
79.05490	36.3
80.39793	3.1
81.03423	43.8
81.07060	39.6
82.03734	4.8
83.04987	60.3
83.08621	9.0
85.02911	29.4
85.06548	6.6
86.09718	10.6
87.00867	4.9
91.05481	31.1
93.07053	37.1
93.92281	3.1
94.07368	6.1
95.04974	22.2
95.08601	30.4
95.67412	3.1
97.02892	15.6
97.06530	65.7
97.10157	10.7
99.04453	24.1
100.11277	5.7
103.05495	5.0
104.60859	3.3
105.01884	3.4
105.07040	64.5
107.04981	19.7
107.08599	36.8
109.02904	23.7
109.06528	25.5
109.10152	16.1
111.04456	6.3
111.08073	4.8
115.05497	6.1
117.07026	12.4
118.95325	3.5
119.04938	14.5
119.08600	24.2
121.02904	4.8
121.06518	36.7
121.10165	19.7
123.04471	6.7
123.08098	4.1
123.11729	9.5
125.06007	78.4
125.09640	6.8
127.03934	37.2
127.07499	4.4
128.06224	6.0
129.07033	10.6
129.56628	3.0
130.07819	4.9
131.04976	3.3
131.08598	29.8
133.06493	13.4
133.10115	20.0
135.08078	13.2
135.11710	11.1
137.06015	13.7
137.09680	6.5
139.07579	5.8
139.11151	5.4
141.07007	6.7
142.07730	4.2
143.07042	53.9
143.08565	11.9
145.04932	4.6
145.06511	14.2
145.10133	100.0
145.11966	3.7
145.17494	3.5
147.04414	4.6
147.08075	4.8
147.11682	14.7
149.05991	3.4
149.09631	4.7
150.58255	3.9
151.07573	14.4
151.11156	4.7
153.07053	4.0
155.08560	6.9
157.06525	4.4
157.08655	5.3
157.10155	12.3
158.07260	13.6
159.08089	8.1
159.11700	51.3
161.09666	8.6
161.13249	4.5
163.03979	3.9
163.07547	4.2
163.11244	28.8
165.05524	5.7
169.10138	14.8
171.11674	8.0
172.08846	4.8
173.09627	62.8
173.13275	4.8
175.07515	6.2
175.11201	7.9
177.05569	4.5
177.12718	19.6
182.15381	5.6
184.07336	19.4
187.11205	72.3
189.12770	5.5
191.10696	27.6
191.14479	4.1
197.09613	8.4
205.12253	69.4
209.11722	7.8
210.14833	4.7
213.03929	24.4
215.10699	77.9
219.13843	5.0
223.13316	9.0
231.05042	9.6
233.11749	57.8
245.08263	4.0
250.40015	3.8
251.12793	23.5
255.21161	4.5
259.20746	4.1
267.16122	4.7
268.16171	5.0
269.13748	10.1
271.20508	4.6
272.99612	3.7
273.22293	5.9
283.20667	9.9
301.21609	24.8
319.22745	20.3
413.18079	9.4
460.27838	21.4
478.28784	22.7
496.29672	5.9
519.05060	3.7
531.25726	5.0
549.27087	9.9
566.92633	8.0
567.28632	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	567.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01849	0.5
55.05519	1.0
60.08151	0.7
61.02932	0.6
67.05508	3.0
69.03419	1.7
69.07047	1.4
71.05003	0.5
71.53149	0.7
79.05484	1.4
81.03421	2.7
81.07059	3.5
83.04963	0.7
83.08625	1.1
85.02911	3.2
85.06551	0.5
86.09695	2.1
87.00816	1.0
87.10005	0.4
91.05474	1.0
93.07047	4.7
93.09259	0.4
95.04955	0.9
95.08613	4.5
97.02909	1.2
97.06521	1.7
97.10177	0.5
99.04447	0.7
105.01861	0.7
105.07029	1.6
107.08624	2.3
109.02900	1.0
109.06573	0.5
109.10152	2.9
111.11689	0.4
119.08588	1.8
121.06466	1.0
121.10153	1.6
123.08087	0.5
123.11742	4.9
124.99983	2.4
127.03915	1.8
129.06966	0.6
131.08522	0.8
133.10123	1.1
135.08046	1.0
135.11681	1.3
137.09622	0.6
143.08566	0.6
145.04970	0.6
145.10130	2.4
147.08066	0.5
147.11691	1.7
149.09650	0.7
149.13229	0.9
152.34259	0.6
153.09117	2.0
157.10141	2.0
159.02887	0.8
159.11694	2.5
161.13304	1.1
163.14856	1.1
164.16183	0.5
165.88683	0.4
169.10130	2.0
171.11699	4.3
173.09607	0.6
173.13324	0.6
175.11145	0.8
175.14812	1.3
177.12753	1.1
183.11656	0.6
184.07350	6.9
185.07724	1.5
185.13264	2.2
187.11111	0.6
189.12735	1.3
197.13300	0.6
199.14806	1.0
201.16418	1.0
203.14307	4.3
213.12770	0.9
215.17993	0.6
231.13849	1.2
231.21132	0.8
239.18013	1.7
241.19484	4.0
245.15359	1.3
255.21216	0.7
257.19257	0.6
259.20581	17.9
266.78983	0.5
273.22086	0.9
283.20499	1.5
298.65158	0.5
299.63342	0.5
301.21652	7.0
301.24969	0.6
319.22684	100.0
320.22769	0.9
323.02017	0.6
405.13458	0.5
405.92239	0.5
412.59006	0.5
423.09933	0.5
442.21014	0.5
549.26880	1.7
567.27301	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	567.28
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.01877	1.6
55.05514	2.3
56.49781	1.0
57.03428	2.2
58.18066	1.1
62.24519	1.1
62.53464	1.3
67.05495	4.0
68.40695	1.2
68.99806	1.2
69.03441	10.1
69.07058	4.1
71.52782	1.4
72.23142	0.9
72.71763	1.0
72.72198	1.1
73.02904	3.1
76.20596	1.0
79.05482	3.3
81.03030	1.2
81.03426	10.6
81.07053	5.7
83.04986	11.7
83.08608	1.6
85.02905	19.7
86.09705	1.6
87.00838	7.3
87.04526	1.1
91.05466	4.0
93.07036	4.2
95.04959	2.5
95.08609	7.3
97.02908	8.3
97.06528	9.4
99.04438	4.0
105.01884	6.0
105.07046	3.2
107.08588	7.0
109.02900	10.6
109.06519	1.2
109.10167	6.0
119.08569	5.9
121.06458	1.3
121.10149	8.3
123.08085	3.0
123.11689	1.5
125.09593	1.8
127.03925	18.5
129.06963	1.3
131.08539	1.6
133.10129	4.4
135.08017	2.7
135.11682	5.8
136.77798	1.0
137.09625	2.4
139.06351	1.1
143.08615	1.5
145.04953	7.3
145.10100	1.7
147.04416	1.5
147.11690	1.5
149.09644	1.7
149.13272	1.5
151.11194	1.9
157.10165	1.8
159.02887	6.9
159.11700	2.0
161.13261	4.3
163.11198	1.9
173.13298	1.5
184.07294	2.4
199.14775	1.2
213.09108	2.5
231.04956	3.6
241.19534	3.8
257.08032	1.2
259.09732	1.3
259.20612	5.2
283.20535	2.9
289.40643	1.2
301.21564	6.7
305.13547	1.5
309.14923	1.9
319.22687	100.0
353.28040	1.3
355.15274	2.8
478.28491	1.4
530.69916	1.4
564.90454	1.4
567.27356	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	567.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01874	1.9
55.05488	1.2
57.03439	2.6
59.04967	0.4
61.02934	2.1
65.03924	0.3
67.05505	2.5
68.99755	1.2
69.03434	15.5
69.07040	1.2
70.91286	0.5
71.01302	0.3
71.05014	1.5
73.02916	2.7
79.05488	2.0
81.03425	13.6
81.07057	4.0
83.01340	0.4
83.04954	1.2
85.02910	22.4
85.06550	0.4
86.09696	0.3
87.00835	7.8
87.04428	1.0
91.03912	0.5
91.05495	2.3
93.07043	4.5
95.04932	0.5
95.08604	3.3
97.02899	8.9
97.06501	0.8
99.03870	0.5
99.04456	5.6
99.96243	0.3
101.02361	0.7
103.03899	1.0
105.01872	5.9
105.06387	0.5
105.07032	4.3
107.04955	0.3
107.08598	4.3
109.02888	12.6
109.06496	0.9
109.10168	2.8
111.08115	0.6
115.03912	0.4
115.05500	0.3
117.01824	1.0
117.06980	0.5
119.08583	4.1
121.06472	0.6
121.10155	3.3
123.08069	0.4
123.11661	1.0
125.09637	1.5
127.03926	20.2
129.00293	0.3
129.01846	1.8
129.07010	0.4
131.08575	2.2
133.06459	0.4
133.10152	2.8
135.08020	0.7
135.11671	1.1
137.09595	2.0
139.05360	0.3
139.11160	0.3
142.07744	0.7
143.08577	2.1
143.09506	0.4
145.03946	0.5
145.04979	7.2
145.06236	0.4
145.10123	2.8
147.02887	1.1
147.08005	0.8
147.11716	2.3
149.09628	3.5
149.13187	0.4
151.11163	2.7
155.08505	0.7
155.10564	0.4
156.09251	0.4
157.10146	3.2
159.01712	0.4
159.02899	5.1
159.11694	2.4
159.32489	0.4
161.09567	1.1
161.13251	0.8
163.11166	2.3
165.09132	0.4
165.12668	0.4
169.10062	0.8
171.02959	0.4
171.08041	0.5
171.11700	2.0
173.09615	0.3
173.13280	1.8
175.11214	2.2
175.14786	0.5
177.12752	5.5
177.33994	0.3
183.11678	0.6
184.07382	0.5
185.13300	1.6
187.05995	0.9
187.11154	0.9
187.14757	1.4
189.03879	0.6
189.12798	1.3
191.14265	0.4
197.13239	0.7
199.14853	2.6
201.12784	1.6
203.14258	0.7
209.13164	0.6
211.14908	0.5
213.03915	0.9
213.16339	0.6
215.10715	0.3
215.14317	0.7
217.15878	1.0
223.14854	0.4
225.16397	0.4
227.14299	1.6
227.17908	0.3
231.05026	5.3
241.15852	0.5
243.17421	0.3
249.05977	0.5
255.17564	0.3
257.18964	1.0
265.19571	0.4
271.20572	3.3
283.20566	3.3
301.21649	17.5
319.22684	100.0
320.23111	1.0
361.23892	0.4
481.28033	0.8
493.74823	0.3
531.25745	0.4
549.26874	0.8
567.28009	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	567.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.01863	1.7
55.05504	1.6
57.03436	1.3
57.07065	0.4
61.02925	1.0
67.05507	5.0
69.03090	0.8
69.03437	12.1
69.07063	2.2
69.38077	2.7
69.38489	1.0
71.04973	1.4
73.02921	1.3
79.05501	4.3
81.03004	0.5
81.03432	6.7
81.07060	7.3
83.04992	1.3
83.08608	1.3
85.02911	20.2
86.09692	0.9
87.00838	5.4
87.04438	0.5
91.05483	4.3
93.07043	6.9
95.04987	0.9
95.08611	4.4
97.02901	4.9
97.06535	1.6
97.10201	0.5
99.04468	3.7
103.03949	1.0
105.01877	5.2
105.07038	6.4
107.04978	0.7
107.08598	6.9
109.02885	7.5
109.06537	1.3
109.10168	6.1
111.04482	0.5
111.08067	0.7
114.12829	0.5
115.03945	0.4
117.07019	1.4
119.08599	6.7
121.06512	1.6
121.10154	4.9
123.08102	0.8
123.11724	1.5
125.09626	2.0
125.48724	0.5
127.03927	15.6
128.06184	0.7
129.01828	1.3
129.07019	1.6
131.08572	3.1
133.10132	4.6
135.08057	1.4
135.11713	1.6
137.09631	2.0
142.07759	0.9
143.08577	3.4
144.09395	0.6
145.04980	4.9
145.10127	4.4
147.02965	1.1
147.08081	1.4
147.11710	3.0
149.09659	3.3
149.13245	1.0
151.11206	3.7
155.08626	1.0
156.09357	0.6
157.10155	4.2
159.02917	2.4
159.08093	0.8
159.11703	3.4
160.08791	0.6
161.09612	1.8
161.13280	1.3
163.11180	2.1
165.09123	0.8
167.08585	0.9
169.10132	1.2
170.10895	0.5
171.08032	0.7
171.11737	2.0
173.09622	1.1
173.13257	1.6
175.11203	2.6
177.12778	6.1
181.10046	1.0
183.11650	1.1
184.07378	1.8
185.09731	0.9
185.13297	1.7
187.11147	0.9
187.14853	1.7
189.03935	0.8
189.12802	1.5
195.11732	0.8
197.13219	1.2
199.11229	1.0
199.14847	3.6
201.12762	2.1
203.14384	0.7
209.13200	0.6
213.04082	0.5
213.12796	0.5
213.16423	0.9
215.14368	0.9
217.15959	0.5
223.14850	0.5
225.16255	0.5
227.14352	1.8
229.15851	0.6
231.04965	4.2
243.17345	0.8
249.06116	0.6
255.21251	0.7
257.19025	1.3
271.20605	3.0
283.20584	2.4
301.21640	15.1
319.22693	100.0
320.22906	0.8
361.23248	0.5
523.28668	0.7
567.27881	15.2
567.40808	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.05509	5.0
57.03445	1.6
64.30477	1.0
67.05512	6.8
69.03436	11.9
69.07070	6.2
70.09727	1.1
71.04993	1.8
71.23209	1.1
71.52708	1.6
79.05496	8.1
81.03416	8.7
81.07064	13.3
83.04993	2.0
83.08615	4.1
84.08144	1.4
85.02905	10.9
85.06560	2.7
86.09705	1.6
87.00842	2.5
87.04476	1.9
91.05498	6.6
93.07057	12.4
95.04947	2.4
95.08617	16.7
97.02895	8.3
97.06526	4.8
99.04459	4.5
99.08111	1.5
105.01861	1.7
105.07041	11.5
107.08601	27.2
109.02873	6.6
109.06504	2.0
109.10162	8.0
111.08110	3.0
112.07601	2.7
117.07031	2.3
119.04932	1.3
119.08578	13.6
121.06519	3.0
121.10149	14.7
123.08078	5.0
123.11729	2.2
125.09593	1.6
127.03918	13.0
129.07022	2.3
131.08591	6.8
133.06525	1.7
133.10152	8.7
135.08081	5.0
135.11697	4.8
137.05960	1.2
137.09679	1.2
138.72043	1.0
140.07050	1.8
141.07028	1.6
141.09097	1.4
142.07832	2.4
143.08543	6.5
145.04947	3.5
145.06516	1.2
145.10133	7.7
147.04298	1.8
147.08084	6.4
147.11690	6.4
149.09653	2.8
149.13303	1.5
155.08585	4.0
156.09381	1.7
157.10127	8.6
159.08105	4.5
159.11729	15.3
161.09642	12.9
161.13251	7.0
163.03918	2.6
163.11201	3.1
165.06998	1.3
165.09085	2.1
167.08713	2.0
169.10207	5.9
171.11696	6.5
173.09628	4.3
173.13264	10.5
175.11194	14.2
175.14882	1.7
177.12730	7.4
181.10117	1.6
183.11673	5.8
184.07375	3.4
184.08876	1.4
184.12445	1.4
185.09662	4.2
185.13249	6.5
187.06053	3.5
187.11177	3.9
187.14798	2.4
189.12715	8.1
191.14459	1.5
193.12260	3.7
195.11688	3.8
195.13809	3.3
197.13240	6.0
198.10413	1.6
199.11205	3.1
199.14851	7.2
201.12738	6.0
203.14346	11.5
209.13264	4.3
210.14014	2.5
211.14876	4.4
213.03938	3.3
213.12680	5.5
213.16357	5.5
215.14340	3.0
215.17938	1.5
219.13785	5.9
223.14862	5.0
225.12901	1.5
225.16428	10.8
227.14296	8.4
227.17859	1.4
229.15921	1.9
231.05054	1.8
231.13794	2.8
239.17978	3.5
240.18747	1.6
241.15874	4.6
241.19461	2.2
243.17488	4.0
245.15393	3.9
246.78743	1.0
253.19560	3.0
255.17480	2.7
255.21074	5.5
257.19098	8.3
259.16754	2.0
265.00211	1.3
265.19473	6.9
271.20581	12.4
273.22156	3.1
275.19971	2.4
283.17462	1.5
283.20584	29.6
289.21634	25.4
301.21643	68.1
319.22693	100.0
337.23761	36.9
337.26901	0.7
347.22122	3.2
403.24802	2.4
427.24857	1.4
433.25818	1.5
445.25754	3.1
463.26672	2.4
481.28165	5.6
505.28073	19.6
523.28772	1.6
531.26007	6.3
549.27020	23.5
567.14557	2.0
567.28131	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	567.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.5
57.03445	0.9
59.04999	0.3
67.05504	1.8
69.07070	0.6
69.69315	1.3
71.04986	0.7
79.05502	1.8
81.03430	2.0
81.07079	1.6
83.04990	0.6
83.08624	0.5
85.02901	1.4
91.05482	1.4
93.07040	1.3
95.04993	0.8
95.08633	0.5
97.06523	0.7
100.07627	0.3
105.07066	0.8
107.08626	0.8
109.06529	0.3
109.10201	0.4
111.08101	0.4
119.08620	1.1
121.10181	1.0
129.07013	0.5
131.08595	0.8
132.10483	0.3
133.06479	0.4
133.10159	0.7
147.11728	0.8
149.09639	0.6
157.10204	0.8
175.11327	0.6
180.63268	0.3
184.07431	1.0
193.12318	0.8
233.11620	0.6
251.12607	1.9
265.14243	0.4
267.16092	0.4
283.15192	10.2
285.17084	0.3
307.15237	1.1
307.99121	0.3
339.17789	5.5
339.21689	0.4
477.24930	0.5
495.25723	0.3
507.16461	0.4
549.27649	0.3
567.31567	100.0
568.31555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30666	1.5
53.53994	1.7
70.93679	3.5
70.94022	2.1
103.10430	1.6
168.09283	1.8
216.99040	2.1
235.00070	5.4
236.00148	4.2
240.99017	5.1
241.99115	4.9
259.00034	28.4
260.00125	23.4
261.00128	3.1
261.03152	3.9
264.98993	3.9
265.99292	3.2
274.98532	1.8
275.05545	1.7
277.01099	19.1
278.01166	13.8
283.00012	79.4
284.00119	82.9
284.99652	9.5
300.97571	2.5
300.98276	1.1
301.01065	79.7
302.01181	83.7
303.01025	8.0
304.01529	2.8
319.02292	3.4
324.02823	2.3
360.00317	4.2
383.00238	2.6
384.00375	2.5
399.94855	2.4
401.01474	8.8
402.01364	11.1
403.01318	2.1
408.00711	5.2
425.01117	18.7
426.01389	37.4
427.01382	3.9
441.96255	2.8
443.02304	34.1
444.02420	72.8
444.08411	3.6
445.02386	6.8
446.02417	2.1
467.03870	3.3
498.99481	2.8
501.97809	4.1
508.00256	2.5
517.00714	3.7
526.01471	4.5
537.49890	2.9
537.99780	4.4
543.98944	2.5
544.97455	2.5
550.01447	71.5
551.01556	4.5
568.02533	100.0
569.02325	7.1
585.99908	5.5
591.04187	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	568.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.4
55.01861	4.5
55.05524	1.8
56.59969	0.8
57.03452	1.4
61.02935	1.5
67.05521	2.4
69.03432	11.1
69.07082	2.8
70.40438	1.7
70.40796	2.3
71.05010	4.0
73.02915	1.8
79.05519	3.1
81.03429	10.9
81.07072	3.8
83.05013	1.2
85.02911	49.4
85.06555	2.1
86.09728	1.0
87.04479	1.2
91.05503	2.4
91.32121	0.8
93.07038	4.9
95.04977	1.4
95.08635	5.9
97.02905	19.0
97.06548	3.3
99.04464	34.0
103.03951	63.5
105.07066	3.9
106.57423	0.9
107.08598	16.2
109.02890	13.8
109.03586	1.0
109.06552	1.7
109.10182	1.3
113.06057	2.5
115.03961	1.4
119.08646	1.7
121.06544	3.4
121.10113	5.6
123.08099	3.2
125.06126	0.9
127.03926	68.6
134.97191	1.2
135.11736	3.8
137.09671	0.9
145.04973	39.4
145.10149	5.1
147.11751	1.4
149.09679	3.0
151.07602	3.3
161.13312	0.8
163.06023	37.7
163.11209	13.1
165.12790	0.9
167.10661	5.4
169.08611	44.1
181.12218	9.3
184.07394	4.4
185.11803	2.9
187.06058	2.5
191.10663	6.4
205.07185	3.0
209.11719	8.7
227.12801	100.0
245.13863	5.4
253.07225	1.1
271.08173	3.9
289.09259	3.5
307.10242	9.1
353.23160	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	568.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01888	2.0
55.05507	2.9
56.05032	3.0
57.03436	5.0
61.02652	1.2
61.02931	15.0
61.88163	0.8
67.05506	6.8
68.05025	1.2
69.03432	10.6
69.07056	2.4
69.49632	2.9
69.50065	3.2
70.06582	6.4
71.04990	2.7
72.08158	1.3
73.02923	7.0
74.83609	0.8
79.05502	7.3
79.48891	0.7
80.05014	1.4
81.03423	16.4
81.07057	9.2
81.78852	0.8
82.06583	1.7
83.04985	4.6
83.08650	5.4
84.04514	5.7
84.08138	2.9
85.02911	13.1
85.06494	1.0
86.06072	35.6
87.04469	21.5
87.41697	0.8
88.03999	0.9
91.03961	7.9
91.05478	4.4
93.07047	9.4
94.06519	1.0
95.04971	4.9
95.08595	5.5
96.08133	1.7
97.02898	9.2
97.06531	5.2
98.06059	45.2
98.20683	0.9
99.04450	1.2
101.02396	0.9
102.05560	1.6
104.07102	20.5
105.07013	4.2
107.08588	3.5
109.02875	1.2
109.10176	1.0
110.99245	0.8
111.08090	2.9
112.07620	8.1
119.08568	2.9
120.08131	1.4
121.10146	8.3
123.08091	1.2
123.11744	0.9
124.07593	2.8
126.05511	10.5
126.09150	1.6
127.03914	2.7
129.06975	1.7
131.08556	4.9
133.10156	2.7
135.11720	1.7
138.09131	1.6
138.12790	2.7
139.11156	1.4
140.07086	3.2
142.08710	4.3
147.11705	3.8
148.07585	1.8
149.09637	24.1
154.08640	3.3
157.10138	2.6
158.08124	3.7
159.11685	1.5
165.12791	1.6
166.08717	1.1
166.12279	3.7
167.10670	0.9
175.11211	4.0
177.12758	2.1
182.15366	2.0
184.13338	5.6
193.10654	1.6
193.12259	18.0
195.13814	1.5
206.15395	4.1
210.14911	6.8
211.13335	4.0
212.16537	1.4
224.16409	5.1
234.14964	3.6
240.15852	1.3
250.18089	1.5
252.15958	22.3
258.16919	1.2
260.16412	3.6
267.15866	10.6
268.19131	1.3
270.17020	1.8
278.17618	8.4
285.16953	18.2
285.19861	1.7
286.20224	1.4
296.18579	3.9
301.50421	1.1
309.16815	1.7
314.19666	1.8
326.19559	1.5
342.22897	1.0
344.20697	11.8
362.21738	28.9
370.22229	13.4
381.44193	0.9
388.23312	67.9
406.24252	2.7
524.27069	12.9
532.27301	2.1
550.28607	100.0
551.29767	1.1
568.29681	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	568.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93979	0.8
55.01865	1.1
55.05502	2.2
56.05017	1.7
57.03431	2.7
59.43320	0.8
60.60915	0.8
61.02930	10.5
67.05507	5.9
68.05022	1.3
69.03431	11.3
69.07063	1.7
70.06596	6.3
70.19786	0.7
71.01338	0.8
71.04982	2.1
71.51862	1.3
73.02923	6.0
79.05498	4.9
80.05011	1.0
81.03420	17.1
81.07057	8.6
83.04974	3.8
83.08608	5.3
84.04507	4.4
84.04911	0.8
84.08128	2.3
85.02907	10.8
86.06068	23.3
87.04475	18.7
91.03957	5.9
91.05464	5.2
93.07044	7.2
94.06570	2.0
95.04969	5.4
95.08611	4.8
96.08134	1.2
97.02897	7.3
97.06525	4.2
98.06061	15.6
99.04447	1.9
101.02380	0.9
102.05527	2.0
104.07111	19.2
105.07025	4.6
107.04956	1.4
107.08570	3.4
108.08088	1.1
109.02893	2.3
109.06521	1.2
109.10155	1.7
110.07115	1.2
111.08084	3.2
112.07600	8.5
119.08575	3.5
120.08087	1.0
121.10137	5.3
123.08100	1.0
124.07579	2.3
126.05506	2.9
126.09145	1.2
127.03926	2.3
129.06990	1.6
131.08553	3.8
133.10127	1.5
133.58749	0.9
135.11723	0.9
136.07568	1.0
138.12743	1.9
140.07063	1.8
142.08630	1.9
145.04874	1.1
147.08041	1.4
147.11674	3.0
148.00932	0.8
148.07526	1.4
149.09634	18.5
149.13277	1.3
157.10075	2.6
158.06064	0.9
158.08151	4.7
165.12775	1.9
166.12233	1.4
166.60252	0.8
175.08650	0.9
175.11147	2.9
177.12799	1.6
182.15355	1.4
184.13306	2.4
187.38840	0.8
193.12254	18.3
193.13902	1.6
195.13736	1.2
206.15480	1.0
209.15204	1.3
210.14920	5.9
211.13301	2.8
212.16426	1.4
224.16478	2.5
250.18127	1.4
252.15955	9.6
260.16458	3.6
267.15948	7.4
268.19025	1.8
278.17484	7.8
285.16968	20.0
296.18567	2.6
302.19614	0.8
344.20724	9.1
362.21735	13.3
370.22189	3.7
388.23294	60.9
496.04916	0.9
506.25961	1.5
524.27020	2.2
531.88013	1.1
532.27472	1.4
550.28577	100.0
568.33942	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	568.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.9
55.05495	2.9
56.05050	1.5
57.03431	2.9
61.02926	12.4
67.05498	4.6
68.05006	1.3
69.03431	9.1
69.07059	1.8
69.54211	2.0
69.54619	3.3
70.06595	4.0
71.04995	1.9
73.02926	5.4
79.05495	5.1
81.03421	14.9
81.07045	6.8
82.06587	0.9
83.04977	3.0
83.08605	4.5
84.04524	5.1
84.08138	2.4
85.02911	9.6
86.06071	27.8
87.04469	16.8
91.03958	5.8
91.05459	3.8
93.07048	7.2
94.06513	1.1
95.04971	4.3
95.08616	4.0
97.02896	8.9
97.06524	3.4
98.06060	30.6
99.04453	1.5
101.02367	1.9
102.05534	2.1
104.07111	21.4
105.07043	3.6
107.04950	1.1
107.08620	3.6
109.10196	0.8
110.06057	0.8
111.08088	2.7
112.07603	8.8
115.03974	1.2
119.08580	2.5
120.08134	0.8
121.06562	0.8
121.10159	5.4
123.08046	1.0
124.07577	2.7
126.05532	7.8
127.03912	2.5
129.07024	1.5
129.54938	0.7
131.08524	4.0
133.06465	0.9
133.10114	2.1
134.50833	0.8
135.11699	0.8
136.07545	0.8
138.12752	1.7
139.11227	1.3
140.07065	1.9
142.08636	3.7
145.04942	0.9
147.11670	3.1
148.07553	0.9
149.09616	17.4
151.11128	1.0
154.08618	2.1
157.10089	2.5
158.08145	4.0
165.12721	1.4
166.12204	2.2
167.10669	0.8
175.11145	2.7
177.12697	1.1
182.15489	1.1
184.13327	3.8
193.12257	16.0
195.13837	1.2
206.15430	1.7
210.14900	4.8
211.13257	3.6
224.16431	2.7
234.14957	3.3
247.39462	0.8
250.18076	1.0
252.15967	17.8
260.16418	3.0
267.15945	8.8
268.19083	1.9
278.17511	8.8
284.18405	0.8
285.16977	18.4
296.18576	3.1
302.19708	0.8
309.16873	1.4
314.19559	1.6
326.19556	1.4
344.20746	10.0
362.21750	22.5
370.22311	7.2
388.23312	62.3
406.24054	1.4
406.48215	1.0
498.48108	0.9
506.26102	1.8
524.27026	8.6
532.27051	1.0
550.28613	100.0
568.29224	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	568.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	1.8
57.03441	2.7
59.35065	1.3
60.92938	1.3
61.02645	1.8
61.02926	17.2
67.05482	5.9
68.04995	1.9
69.03432	9.7
69.07045	3.2
69.64618	7.9
70.06593	8.2
71.04971	3.1
72.08161	1.4
73.02940	8.0
79.05500	9.8
79.28514	1.2
81.03423	11.6
81.07060	7.6
81.14814	1.3
81.15305	1.4
83.04961	5.2
83.08621	4.4
83.09425	1.4
84.04486	5.8
84.08117	2.5
85.02911	14.7
86.06067	38.8
87.04472	19.1
91.03967	7.7
91.05474	2.5
93.07056	8.5
95.04977	3.9
95.08582	5.6
97.02892	7.5
98.06052	69.8
98.20761	2.3
100.63107	1.3
102.05515	1.6
104.07108	16.6
105.07011	2.9
107.04893	1.6
107.08586	2.3
111.08017	1.8
112.07584	7.6
114.05550	2.0
119.08559	2.5
121.10128	8.7
124.07563	3.3
126.05502	14.2
127.03880	4.0
131.08522	5.2
133.10143	1.6
138.12743	2.8
140.07095	1.7
142.08664	3.4
147.11642	3.3
149.09627	25.7
151.56844	1.3
154.08620	3.5
157.10168	2.0
158.08125	4.0
162.30005	1.5
163.03891	1.3
165.12723	2.1
166.12277	4.3
167.10596	2.0
175.11130	4.1
177.12840	1.9
182.15477	1.7
184.13277	8.2
193.12236	16.6
206.15387	5.1
210.14815	4.0
211.13232	4.1
224.16431	9.1
234.14847	5.2
250.18109	2.6
252.15916	35.9
260.16492	3.1
267.15906	10.3
270.17017	2.2
278.17484	6.9
285.16974	15.6
288.17889	2.2
296.18634	3.6
326.19583	3.4
344.20721	11.1
362.21704	53.2
370.22104	11.1
388.23276	67.1
388.38055	1.5
406.24213	4.0
506.25891	2.1
524.27039	32.7
532.27393	2.4
550.28583	100.0
568.21082	1.7
568.29645	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25982	0.8
55.05506	3.2
56.05036	2.4
56.31218	0.7
57.03434	2.9
61.02932	9.8
67.05513	5.9
67.39893	1.0
68.05013	1.0
69.03438	8.9
69.07071	2.1
69.51833	4.0
70.06586	3.6
71.04999	1.6
73.02918	5.1
75.75947	0.9
79.05503	5.9
80.05025	1.7
81.03432	15.9
81.07066	10.2
82.06586	0.9
83.04987	3.4
83.08607	6.5
84.04520	5.4
84.08148	2.3
85.02913	10.2
86.06078	26.7
87.04477	20.0
91.03970	5.4
91.05492	5.0
93.07063	7.0
94.06612	1.0
95.04964	5.9
95.08628	4.8
95.17405	0.8
96.08155	1.5
97.02901	8.5
97.06549	4.5
98.06059	17.4
99.04453	1.5
102.05558	1.2
104.07117	24.3
105.07041	3.5
107.04881	1.3
107.08597	3.8
109.10167	1.8
110.07218	1.2
111.04468	1.0
111.08112	2.8
112.07621	9.3
117.06989	1.1
119.08581	2.9
121.10182	5.0
122.06078	1.5
124.07635	3.2
126.05530	3.9
127.03954	1.5
129.06993	1.7
131.08578	4.5
133.10153	2.2
135.11693	1.0
138.12798	1.8
140.07077	1.6
142.08643	3.5
147.11728	4.7
148.07591	1.7
149.09645	18.7
149.13034	0.9
154.08527	1.1
157.10115	3.8
158.08124	4.5
159.11652	1.0
165.12822	2.5
166.12286	2.6
175.11212	4.3
177.12758	1.8
184.13380	3.0
192.13716	1.0
193.12253	21.5
193.13901	1.7
195.13876	1.9
206.15401	1.1
210.14940	4.8
211.13370	2.9
224.16512	2.5
234.15009	1.5
250.18008	1.9
252.15918	9.7
260.16483	3.4
267.15921	12.4
268.19183	2.1
278.17575	9.3
285.14044	1.5
285.17007	19.7
296.18625	3.9
309.16953	1.5
312.69629	0.9
314.19534	2.0
326.19632	2.3
344.20734	11.4
352.21179	1.1
355.45447	0.9
362.17346	1.1
362.21793	15.8
370.22272	12.2
388.23331	56.0
506.25800	1.0
524.26959	2.8
532.27216	2.3
550.28638	100.0
568.28857	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59930	0.2
55.05513	0.5
56.05031	0.4
58.06610	0.3
60.08168	5.9
67.05508	0.5
69.03428	0.5
69.07072	0.6
69.70579	0.5
69.70989	0.5
70.06601	0.3
71.07372	2.7
79.05508	0.4
81.03426	0.5
81.07051	0.8
83.08624	0.3
84.04515	0.3
85.02901	0.6
86.09710	28.8
91.05489	0.5
93.07059	0.4
95.04971	0.3
95.08602	0.5
97.02918	0.3
97.06524	0.4
97.10191	0.3
98.20754	0.3
98.98464	2.4
100.11265	0.5
104.10750	3.0
105.01884	0.2
105.07037	0.5
107.08600	0.4
109.02871	0.2
109.06498	0.2
109.10167	0.5
111.04483	0.2
114.24037	0.2
119.08576	0.4
120.08069	0.2
121.10140	0.4
125.00011	20.1
125.09619	0.3
127.03915	0.7
133.10115	0.2
135.08067	0.4
135.11598	0.2
138.05560	0.2
142.12259	0.3
145.04922	0.2
147.11761	0.2
163.11168	0.2
182.15503	0.2
184.07349	100.0
189.31790	0.2
210.14880	0.3
258.10974	0.4
289.21460	0.3
301.21625	0.2
320.22919	0.6
335.21951	0.2
373.13956	0.3
392.20541	0.2
394.20374	0.2
412.20801	1.2
452.23965	0.8
492.27072	0.4
514.28918	0.3
532.30426	1.3
550.31512	2.4
568.32159	5.1
568.43640	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22335	0.3
51.62286	0.3
51.66127	0.3
52.16064	0.3
55.05513	0.4
56.42492	0.3
67.05505	0.6
69.07061	0.4
74.09702	0.4
79.05477	0.4
81.07050	1.0
89.24100	0.4
91.05513	0.3
93.05771	0.5
95.08612	0.6
98.98464	3.3
106.06554	0.3
108.08128	14.6
108.96955	0.3
119.07337	2.8
124.83114	0.3
124.99100	0.6
125.00020	13.1
133.99565	0.4
134.09659	85.1
141.04688	0.3
152.10713	5.2
155.51413	0.3
166.67596	0.3
168.21484	0.3
232.07350	100.0
266.26608	0.3
279.46896	0.3
306.11139	0.5
426.87378	0.3
550.32953	1.5
568.33997	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.05512	11.4
57.07086	8.5
59.05011	2.0
60.56123	1.2
65.03933	2.6
67.05506	17.1
67.53333	1.4
69.03423	2.2
69.07073	14.0
69.24065	2.8
69.24466	12.2
70.06604	1.7
71.04999	1.6
79.05492	25.3
80.06274	3.7
81.07069	31.3
83.05002	3.6
83.08609	6.3
85.06544	4.3
85.10204	2.0
87.04459	1.6
88.07652	2.0
91.05486	41.5
92.06281	2.6
93.07050	56.5
94.07862	2.7
94.92319	1.2
95.04971	42.1
95.08608	29.3
97.06524	3.5
102.09179	1.5
103.05489	2.7
105.04565	1.8
105.07033	81.5
106.07844	6.6
107.08597	46.0
108.09467	1.5
109.06551	4.0
109.10165	21.6
110.07334	1.6
111.08068	2.8
113.45905	1.3
115.05482	4.9
116.06260	2.7
117.07022	26.6
118.07849	3.3
119.08584	100.0
120.09438	8.8
121.06523	2.7
121.10150	31.8
123.08058	18.3
123.11710	6.4
125.09694	1.4
128.06232	9.3
129.07014	15.3
130.07811	9.7
131.08578	56.6
132.09378	11.6
133.09128	3.1
133.10135	57.2
134.10916	8.4
135.08054	5.9
135.11688	18.3
137.09645	4.8
137.82904	1.4
138.10400	7.7
138.28732	1.3
139.11194	2.3
141.07022	8.4
142.07774	16.3
143.08563	44.3
144.09331	15.9
145.10129	84.7
146.10950	6.4
147.08017	3.2
147.11697	25.2
148.12268	1.5
149.09616	6.0
149.13255	3.5
151.11214	3.5
153.06989	3.5
154.07835	2.7
155.08551	15.8
156.09363	19.2
157.10133	51.8
158.10924	11.7
159.08089	2.9
159.11702	38.2
160.12502	3.5
161.09657	9.2
161.13243	6.7
163.11223	2.4
163.14815	2.6
165.07066	5.2
166.07854	1.8
167.08585	8.2
168.09358	5.0
169.10143	27.4
170.10884	9.2
171.11696	36.1
171.13162	2.1
172.12480	6.0
173.09647	1.6
173.13272	31.7
174.14032	2.1
175.11220	3.3
175.14810	21.3
177.12746	6.3
179.08557	11.3
180.09352	4.3
181.10121	17.8
182.10921	8.2
183.11713	24.9
184.12543	5.5
185.13268	26.4
186.14029	7.8
187.14803	12.4
189.12791	3.1
191.14287	10.1
192.09370	2.7
192.15175	2.6
193.10173	7.8
194.10985	5.3
195.11664	15.5
196.12506	7.5
197.13277	29.3
198.14041	5.4
199.11195	2.8
199.14830	9.8
201.12785	5.6
201.16400	7.9
203.14456	4.2
204.15161	2.4
206.10983	3.8
207.11745	10.7
208.12540	4.5
209.13268	25.1
209.15092	1.9
210.14041	4.4
210.58469	1.3
211.14816	20.1
212.15678	2.8
213.16428	5.9
215.14380	1.6
217.15936	5.1
218.16620	2.4
219.11742	1.4
219.17577	2.1
220.12552	1.9
221.13203	6.7
222.14046	3.9
223.14821	12.7
224.15660	4.8
225.16394	8.0
226.17159	2.7
227.14372	1.9
231.11736	1.7
233.13194	3.4
234.14117	2.2
235.14812	6.4
237.16435	8.9
239.17986	5.7
241.19614	2.7
245.13301	2.0
247.14941	3.5
249.16441	5.6
251.18010	3.8
253.19551	2.2
255.17482	2.7
257.19025	1.8
259.20700	2.8
261.16510	3.7
263.17981	6.2
265.19620	4.6
267.21121	1.6
269.18921	1.5
272.21426	2.3
273.16431	1.9
275.17993	4.0
277.19614	4.9
279.21149	3.7
281.19208	2.0
283.20624	4.3
283.26407	1.4
284.29614	2.9
285.22354	3.5
287.18170	1.8
289.19730	2.0
297.22150	3.3
305.22748	1.8
309.22617	1.6
311.29401	3.0
323.23691	7.0
336.24423	1.5
337.25360	2.4
338.26044	54.8
338.30069	2.9
349.25275	1.7
351.26474	2.5
362.26102	2.0
415.30167	1.9
420.30338	2.9
429.31494	2.4
430.32288	16.8
458.35208	2.5
476.36569	24.4
555.19897	1.9
560.28351	1.7
568.42780	51.0
568.56238	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	569.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01870	1.0
55.05516	1.4
57.03431	0.4
57.07061	0.3
61.02918	0.6
67.05242	0.2
67.05509	2.2
69.03436	2.8
69.07069	1.8
69.98808	0.5
69.99226	0.7
71.04989	0.7
73.02926	0.4
79.05495	1.8
80.28057	0.2
81.03416	2.6
81.06594	0.4
81.07060	4.5
83.04974	0.8
83.08615	2.0
85.02439	0.4
85.02909	5.5
85.06501	0.3
85.10184	0.3
87.00829	1.9
87.04449	0.2
91.05473	1.3
93.07035	3.1
95.04942	0.5
95.08611	5.1
97.02892	1.8
97.06522	1.1
97.10181	0.6
98.20819	0.2
99.04453	1.0
103.50927	0.2
105.01859	1.4
105.07047	2.9
107.04954	0.3
107.08597	5.6
109.02889	1.8
109.06523	0.5
109.10162	4.5
111.08075	0.3
111.11680	0.4
117.01786	0.2
117.07032	0.5
119.08580	3.4
121.06506	1.2
121.10143	3.6
123.08072	1.0
123.11707	4.9
125.09626	0.7
127.03925	3.0
129.01801	0.3
129.06987	0.6
131.08543	1.4
133.10152	2.3
135.08044	1.7
135.11702	1.8
137.09595	0.8
139.11198	0.4
141.09109	0.7
143.08527	1.3
145.02884	0.2
145.04941	1.0
145.06461	0.3
145.10141	2.3
147.08017	1.2
147.11713	1.7
149.09631	0.3
149.13260	1.0
151.11172	0.8
155.08537	0.9
157.10136	1.7
159.02887	1.0
159.08067	0.9
159.11739	2.0
161.09685	1.1
161.13246	1.9
163.11176	0.6
163.14824	1.6
165.09113	0.3
165.12636	0.5
169.10144	0.9
171.11684	2.2
173.09589	0.9
173.13258	2.0
175.11192	0.6
175.14838	2.0
177.05519	0.4
177.12741	3.6
179.14330	0.8
183.11720	0.7
184.07207	0.3
185.13271	2.5
187.11203	0.5
187.14850	1.5
189.12724	1.1
189.16460	0.4
191.14325	0.9
197.13303	1.8
199.14787	1.4
201.12746	0.7
201.16376	1.1
203.14317	5.3
205.15825	0.3
211.14749	1.1
213.16354	1.1
215.14331	2.7
215.17953	1.2
217.15910	0.7
225.16414	1.1
227.17914	3.5
229.15944	1.6
229.19460	0.3
231.05022	0.4
231.17395	0.3
233.15378	0.8
239.17793	0.2
241.19528	1.1
243.15263	0.2
243.17400	1.3
243.21230	0.7
245.18994	0.6
245.22633	0.3
255.21106	0.9
257.19092	0.6
257.22614	0.8
259.20615	1.9
267.21088	2.9
273.22128	8.0
275.23776	0.2
285.22131	10.7
285.25302	0.5
291.44788	0.2
303.23187	19.3
321.24237	100.0
322.24637	0.7
442.30151	0.2
479.26178	0.3
489.28162	0.6
533.27527	0.5
551.28320	0.3
569.31024	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	8.0
55.01869	6.2
55.05507	2.9
57.03438	6.4
57.07074	1.3
61.02941	6.4
63.82674	1.0
67.05511	8.1
67.29449	1.2
68.99796	3.1
69.03430	46.5
69.07062	5.0
69.25194	9.2
71.04990	5.7
73.02912	4.4
79.05493	6.0
81.03421	30.3
81.07061	17.5
83.04988	2.8
83.08630	3.4
85.02908	100.0
87.00832	59.2
91.05490	5.2
93.07047	14.8
95.05002	2.1
95.08614	13.4
97.02901	35.7
97.06543	1.6
99.04462	12.9
105.01871	60.7
105.07030	10.3
107.08598	13.6
109.02884	38.4
109.06502	1.8
109.10162	15.8
111.11729	1.7
117.01867	1.9
117.07045	2.7
119.08573	13.9
121.10146	18.3
123.08092	2.0
123.11713	15.5
124.85165	1.2
125.09639	1.7
127.03924	82.3
128.98981	1.3
129.01872	3.0
129.07018	1.6
131.08551	9.7
133.10135	11.2
133.52426	1.1
135.08072	2.2
135.11678	6.2
137.09644	2.1
139.11208	4.1
141.12737	1.8
143.08553	7.7
145.04959	18.9
145.10129	13.9
147.02879	2.0
147.11702	15.7
149.09650	1.6
149.13309	3.0
155.08517	1.4
157.10139	12.1
159.02921	7.1
159.11682	14.1
161.13298	5.4
163.03888	1.2
163.11191	10.7
165.12788	4.3
169.10083	2.2
171.11720	6.6
173.13309	6.4
175.11240	3.3
175.14871	2.7
177.12755	16.4
183.11784	2.4
185.13275	9.0
187.06036	1.9
187.14784	6.5
189.04012	2.2
191.14354	2.9
192.82521	1.4
197.13217	1.4
199.14902	3.3
201.12740	4.5
201.16399	9.7
203.14410	2.1
203.18033	3.3
211.14806	1.9
213.04015	5.1
215.14333	1.9
215.17946	11.5
217.19569	1.6
225.16394	2.0
227.17993	10.3
229.15929	3.9
231.05008	29.5
243.21129	3.5
245.19023	12.8
249.06091	3.9
255.21181	2.9
257.22531	1.6
263.20120	5.1
267.21072	6.5
273.22156	9.2
285.22104	23.3
287.23880	1.3
303.23187	47.7
321.24243	88.2
331.22928	1.5
362.26752	3.3
411.25433	1.7
489.28564	5.5
515.26996	2.2
533.27582	1.7
551.28668	1.5
569.29242	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	569.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95664	0.9
55.01865	1.1
55.05502	3.2
60.53074	0.8
67.05502	2.7
69.03447	4.2
69.07064	2.6
70.06580	1.1
71.04989	1.1
71.52325	1.1
71.52766	1.2
76.35520	0.8
79.05486	3.9
81.03416	3.8
81.07066	7.0
83.04959	1.5
83.08641	1.1
85.02911	7.4
86.09690	2.1
87.00825	2.7
91.05457	2.5
92.14285	0.8
93.07049	7.2
95.04954	1.5
95.08596	7.0
97.02883	2.5
97.06512	2.6
97.10158	1.6
99.04433	2.1
100.11248	2.7
105.01855	2.4
105.07026	3.3
107.08596	5.4
109.02869	3.1
109.10178	5.8
111.04443	1.0
111.08048	1.6
114.09165	1.0
117.06957	1.3
119.08590	5.0
121.06551	1.3
121.10141	8.7
123.11678	2.2
125.50870	1.1
127.03935	4.6
131.08545	2.4
133.10120	3.8
135.11678	1.7
137.09598	1.7
139.11197	1.7
143.08516	2.4
145.04977	1.4
145.10115	3.9
147.04375	1.5
147.07988	1.9
147.11711	2.7
149.09644	1.4
157.10124	2.7
158.57553	1.1
159.02972	1.7
159.11699	3.6
161.13251	2.3
163.03935	1.8
163.11136	1.3
167.10748	1.3
171.11694	1.7
173.09645	1.7
173.13304	3.0
175.11140	1.9
175.14825	1.5
177.12811	1.4
183.11653	1.1
184.07321	2.9
185.13298	1.4
187.14780	1.7
189.12711	0.9
199.14839	1.5
201.12703	1.9
201.16446	1.0
211.14897	1.9
219.13811	1.4
225.16437	1.6
229.15916	1.2
239.18034	1.1
241.19357	2.1
267.20987	2.0
285.22186	6.8
303.23160	7.5
321.24249	100.0
568.92847	1.2
569.31384	1.1
569.44537	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.1
55.01871	2.6
55.05505	1.6
57.03439	2.1
61.02932	1.9
67.05510	2.7
68.99786	1.1
69.03435	13.6
69.07072	1.8
70.42517	0.7
70.42883	0.7
71.01357	0.3
71.04977	1.6
73.02925	2.5
79.05506	2.7
81.03419	12.3
81.07058	7.1
83.04494	0.6
83.04976	7.5
83.08593	1.1
85.02905	25.6
87.00832	9.5
91.03947	0.5
91.05479	2.9
93.07042	6.8
95.04934	0.6
95.08611	7.8
97.02898	8.0
97.03512	0.5
97.06521	1.6
97.10183	0.6
99.04450	4.5
103.03920	0.4
105.01869	8.8
105.07027	5.9
107.04925	0.4
107.08590	8.4
109.02883	11.5
109.06503	1.0
109.10156	6.3
111.08078	1.2
115.03896	0.5
117.01860	1.5
117.07011	0.5
119.08578	5.4
121.06505	0.5
121.10143	5.3
123.08088	2.2
123.11711	3.1
125.09618	0.9
127.03923	19.0
129.01826	2.0
129.07018	0.5
131.08565	1.6
133.10121	4.5
135.08047	6.2
135.11684	4.3
137.09619	2.2
137.13289	0.8
139.11198	0.5
140.89885	0.4
143.08543	0.7
145.03911	0.6
145.04959	6.7
145.10106	1.8
147.02869	1.0
147.11699	4.5
149.09615	1.6
149.13269	2.6
151.11145	2.5
157.10216	0.8
159.02898	5.1
159.11728	2.7
161.09599	1.7
161.13277	3.4
163.03886	0.8
163.11192	4.1
163.14799	1.0
165.12766	0.8
165.52397	0.4
169.32385	0.4
171.02856	0.3
171.11694	1.4
173.13243	1.4
175.11229	1.1
175.14821	1.4
177.12767	2.4
179.14326	1.3
184.07257	0.8
185.13289	1.2
187.14787	1.4
189.03926	0.9
189.12714	1.0
189.16356	0.6
197.13219	0.7
199.14845	1.3
201.16368	0.9
203.17950	0.4
205.15848	0.5
211.14835	1.0
213.03976	0.8
215.14369	0.6
215.17863	0.6
219.17371	0.5
225.16408	0.7
227.18001	1.1
231.04959	5.1
245.18938	0.4
249.06058	0.8
255.21089	1.4
257.22717	0.7
259.20773	0.4
267.21024	1.6
273.22156	2.3
285.22144	3.8
303.23196	15.9
321.24234	100.0
322.24747	0.5
369.29285	0.4
489.28925	0.5
522.19434	0.4
540.98181	0.4
569.29498	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	569.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26896	0.7
53.03949	4.6
55.01858	2.9
55.05515	19.9
56.33896	0.7
57.03429	2.8
57.07065	1.3
62.55611	0.8
64.11335	0.6
65.03953	1.9
67.05510	32.3
67.49560	0.8
69.03422	2.2
69.07071	32.4
69.37339	3.0
69.37764	3.0
71.04990	4.2
73.06558	0.9
77.03923	0.9
79.05500	38.7
81.03416	2.6
81.07063	37.5
83.04995	6.9
83.08619	8.3
85.02893	1.1
85.06540	3.6
87.04457	0.9
91.05487	36.8
93.07051	49.8
95.04381	0.8
95.04975	11.9
95.08615	28.2
97.06543	6.6
97.10175	6.8
101.06002	1.5
103.05508	0.9
105.04495	2.0
105.07037	38.9
107.04964	16.8
107.08604	22.0
109.06511	3.0
109.10172	7.4
110.07986	0.9
111.08072	1.9
111.11726	2.1
115.05479	1.2
115.07597	0.7
116.97079	0.7
117.07015	9.9
119.08585	32.2
120.09346	1.8
121.06508	2.6
121.10148	26.4
123.08036	2.1
123.11693	2.9
125.09628	2.4
128.06223	1.1
129.06978	5.6
131.08572	18.3
133.10146	28.3
135.08064	13.6
135.11739	6.3
137.09607	2.4
137.13336	1.1
139.11185	14.3
141.06966	1.6
142.07829	1.3
143.08563	4.6
145.10132	14.8
147.08012	1.2
147.11697	15.9
148.12473	1.4
149.09612	8.8
149.13217	4.6
151.11186	2.3
155.08537	3.2
157.10130	4.8
159.11713	10.8
161.09694	1.1
161.13284	8.0
163.11194	6.8
163.14828	1.0
167.10664	1.3
167.14374	1.5
169.10153	4.1
171.11710	5.2
171.79593	0.8
173.09554	1.4
173.13287	6.3
175.11290	1.0
175.14838	3.0
177.12813	1.4
181.10133	1.0
183.11772	4.1
183.13795	2.9
185.13283	3.9
187.11276	1.1
187.13289	1.5
187.14812	2.3
189.11272	0.8
191.14256	1.5
195.08023	0.8
195.11668	1.2
195.13818	1.3
197.13263	2.9
199.14856	2.7
201.12688	1.0
201.16418	1.1
203.12761	11.0
207.13780	1.9
211.14798	2.7
213.16295	1.0
219.13699	1.5
223.13231	2.1
229.19536	2.0
233.15326	1.1
237.14789	5.7
239.17972	4.5
241.19484	1.6
247.20642	1.8
257.19138	7.0
259.20557	6.3
275.20078	100.0
276.20795	5.5
277.21631	11.5
293.21121	22.3
301.21606	2.4
343.26465	1.0
367.29922	3.2
369.27896	3.5
515.39325	0.9
533.39807	1.9
551.41235	5.2
569.42023	11.0
569.56702	1.9
584.64423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56711	1.4
52.58682	1.2
53.03938	4.0
55.01865	2.9
55.05512	22.0
57.03428	1.4
57.07082	2.8
65.03940	1.4
65.89880	1.4
67.05509	32.1
69.03434	2.8
69.07069	30.1
70.06576	1.2
71.05020	2.3
79.05498	37.4
79.25478	1.2
81.03423	3.0
81.07063	36.8
83.05001	7.5
83.08630	9.1
85.06532	3.4
88.07659	1.5
91.04916	1.6
91.05482	40.1
93.07048	52.8
93.53057	1.2
95.04980	13.4
95.08607	29.9
97.06525	8.5
97.10172	7.8
98.20742	3.2
105.06316	2.1
105.07032	38.8
107.04975	14.0
107.07889	1.5
107.08604	22.8
109.06505	3.4
109.10168	8.8
111.11675	1.6
117.07018	11.2
119.08585	32.3
121.06525	3.3
121.10149	25.5
123.08107	2.2
123.11719	3.0
125.09631	2.8
129.06995	4.4
131.08591	16.9
133.10138	26.8
134.10994	1.6
135.08070	15.3
135.11703	7.5
137.09616	2.3
137.47862	1.2
139.11192	10.4
143.08557	5.6
145.10133	14.7
147.11710	19.3
148.12450	1.5
149.09633	8.8
149.13254	3.4
151.11179	1.4
155.08635	3.0
155.22566	1.4
157.10098	6.4
159.11682	9.9
161.13293	8.9
163.11201	5.5
163.14743	1.4
169.10199	2.5
171.11688	4.2
173.09619	1.4
173.13258	5.9
175.11224	2.1
175.14861	3.1
177.12747	2.7
181.10127	1.8
183.11708	4.0
183.13844	1.9
185.13203	3.1
187.13284	1.5
187.14841	1.7
197.13235	4.4
199.14865	2.5
203.12764	11.8
205.15909	1.6
207.13765	1.7
208.14336	1.1
219.13803	2.3
222.95340	1.3
223.13261	1.5
229.19540	1.6
237.14903	5.2
239.17937	5.0
241.19594	2.7
247.17049	1.1
247.20436	2.3
257.19043	5.7
259.20554	6.8
275.20078	100.0
276.20859	5.2
277.21640	11.6
284.29547	1.8
285.29889	3.7
291.19177	1.5
293.21149	20.0
301.21509	1.7
311.29453	2.1
311.39401	1.3
312.29767	2.1
343.26358	1.8
367.30023	1.8
369.27844	2.0
385.30743	1.3
418.72769	1.6
533.39612	1.9
551.41064	5.2
568.56842	1.9
569.28003	2.1
569.42102	12.5
569.56879	9.8
585.57251	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01872	4.6
56.96571	1.0
57.03425	3.5
57.07049	1.0
61.02911	2.8
67.05495	3.0
68.99789	1.8
69.03431	19.2
69.07056	1.8
69.23685	1.3
69.24081	7.1
71.04974	2.5
73.02904	2.9
79.05485	1.9
80.56383	0.9
81.02988	1.4
81.03422	16.0
81.07064	6.1
83.08613	1.4
85.02906	50.1
86.09695	1.7
87.00832	21.2
89.03916	1.5
91.05487	2.7
93.07032	4.2
95.08595	3.8
97.02289	1.6
97.02895	19.2
97.06515	3.2
97.10157	1.0
99.04457	6.3
103.04008	0.9
105.01865	28.5
105.07037	3.1
107.08595	3.7
109.02876	18.5
109.10164	4.5
111.04459	1.0
111.08051	1.1
117.01851	1.9
117.03378	3.1
117.07020	1.8
119.08578	2.9
121.10160	5.1
123.11726	2.1
127.03925	40.0
129.01860	1.6
131.08539	2.4
133.10123	3.1
135.11668	2.7
145.02902	7.2
145.04967	13.2
145.10118	3.3
147.04420	2.9
147.11693	3.0
149.06027	1.1
149.13153	1.0
155.13933	0.9
159.02884	8.7
159.11684	4.3
161.13243	2.0
163.03932	1.9
171.11761	1.1
173.13226	4.2
175.14838	4.2
177.05450	12.2
177.12738	2.1
178.05809	1.1
184.07298	2.5
185.13182	0.9
187.14876	1.5
189.03951	1.1
189.16417	2.3
203.17963	3.2
213.03941	2.7
213.16359	2.7
215.07005	1.2
229.19534	13.9
231.05025	12.6
231.17348	2.1
247.20601	18.6
249.05988	3.8
259.09628	3.0
269.03238	1.0
269.22763	4.8
275.97009	0.9
280.79245	0.9
287.04437	1.1
287.23715	13.2
305.24738	100.0
306.24832	1.0
331.59021	0.9
346.27206	4.6
413.26776	1.3
469.29742	1.0
480.26776	1.1
570.29669	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
56.05033	0.4
57.97252	0.2
58.06363	0.2
58.06625	0.5
59.07402	0.2
60.08167	5.3
67.05495	0.4
69.07074	0.2
70.07500	0.4
70.07900	0.3
71.07373	2.3
74.10683	0.1
81.07053	0.3
85.02914	0.2
86.09708	27.6
91.05498	0.2
93.07009	0.2
95.08623	0.2
98.98461	2.3
104.10750	3.5
105.09237	0.1
109.10165	0.2
118.72732	0.1
125.00008	19.2
148.29965	0.1
156.30444	0.1
184.07344	100.0
185.07646	0.4
258.11023	0.3
303.22961	0.1
304.23666	0.3
321.24265	0.7
322.24570	1.7
412.20987	3.5
452.24203	1.0
516.30713	0.2
528.61969	0.2
534.31854	1.9
546.89044	0.2
552.32971	2.9
570.34027	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	570.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
57.07074	6.1
58.06587	1.7
60.54453	0.4
64.12417	0.4
67.05505	0.9
69.07083	0.5
69.25022	2.4
69.25447	1.7
70.06597	14.7
71.08616	1.8
81.07064	1.0
83.08614	0.5
83.38033	0.4
85.10182	0.8
88.07635	18.6
91.05466	0.6
93.07043	0.7
95.04934	0.7
95.08621	0.9
102.09182	14.7
105.03395	13.8
105.07021	0.5
121.10161	0.8
126.39880	0.5
131.04982	0.9
138.09140	1.3
149.02354	10.3
149.05984	58.9
175.03798	0.6
181.06552	1.3
193.04964	8.1
212.23828	0.6
219.06482	0.9
231.11852	0.5
256.26361	44.0
297.07578	11.8
311.25677	0.8
315.54697	0.5
326.68524	0.4
335.25894	1.6
341.10202	51.4
348.02917	0.4
570.34265	100.0
571.34363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51917	0.2
55.05506	0.8
57.03421	0.4
57.07080	3.0
62.71424	0.3
67.05484	0.7
69.07060	0.7
69.73840	0.8
69.74256	0.7
71.08631	2.5
79.05495	0.7
81.07055	0.8
83.08578	0.6
85.10179	1.6
89.06042	2.7
91.05477	1.0
93.07021	0.5
95.08582	1.0
97.10150	0.5
98.98474	2.6
105.07034	0.7
107.08604	0.9
117.07026	0.7
118.06546	3.0
119.06509	0.3
119.07312	2.2
125.00012	10.4
130.06602	0.4
132.08136	0.4
133.08598	2.1
134.09660	29.9
144.08087	9.3
145.08876	4.9
158.09624	0.5
160.11224	100.0
161.11517	0.3
162.09119	0.5
177.11247	1.1
178.12279	81.8
221.13864	0.3
258.08923	61.1
313.27380	0.6
332.12701	0.6
339.48389	0.3
371.22836	0.6
552.34509	7.6
553.43140	1.1
570.35541	34.7
578.79663	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.8
57.07078	55.9
62.60455	1.3
67.05490	4.3
69.07072	9.3
71.08242	2.3
71.08633	45.8
71.53899	1.2
73.06563	5.7
75.31725	1.1
79.05482	3.3
79.18511	1.2
81.07046	4.1
83.08607	3.8
85.10187	32.6
87.04468	6.3
87.79228	1.0
89.06035	100.0
91.05473	4.1
93.07015	3.3
95.08596	2.6
97.02821	1.1
97.10160	3.2
99.11730	6.6
105.07034	1.6
106.07380	1.1
107.08594	2.4
109.06550	1.0
111.11717	4.3
113.13273	6.0
117.09113	4.5
119.08585	1.5
124.99987	1.9
125.13269	2.2
127.14816	3.7
130.08607	2.5
131.07039	1.2
131.08548	1.4
133.08611	66.5
133.10104	2.1
134.09607	4.6
136.07590	1.3
145.08908	1.1
147.11703	1.3
160.11232	17.2
161.11726	2.6
177.11223	28.5
178.12263	15.6
183.21123	1.5
195.12212	1.4
221.13762	6.2
239.14877	2.1
251.26740	1.2
258.08960	12.3
265.16452	2.5
270.40079	1.2
271.26389	5.1
277.99405	1.2
283.17538	4.1
315.28900	6.4
327.20190	3.7
337.27402	2.2
371.22824	20.2
509.40482	2.7
552.34277	1.9
553.34888	0.9
553.43042	26.5
565.90875	1.8
570.34998	4.6
570.42596	9.1
571.35919	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
62.94466	0.6
69.03432	1.0
71.50987	1.1
72.45845	0.6
82.91431	0.6
82.99429	0.6
82.99874	2.3
85.02892	1.5
94.99841	0.9
97.02901	1.3
101.00885	12.6
109.02908	0.7
113.00879	2.8
115.02456	2.0
119.01926	19.3
127.02454	2.9
127.03918	0.8
129.04039	1.0
131.01913	9.3
133.03461	3.1
137.02980	1.5
139.02379	1.4
143.01900	30.0
145.03474	13.5
147.01405	1.5
149.02957	0.9
152.05635	0.8
153.03986	1.0
155.01892	16.3
157.03482	7.5
161.02965	24.3
167.01904	10.5
168.99820	4.1
169.03453	5.5
171.01410	3.0
171.05016	2.8
171.73857	0.6
173.02972	22.4
175.04533	1.8
177.02403	0.7
179.01878	5.3
180.99857	0.8
181.03520	0.7
183.01468	0.6
184.04570	0.6
185.02956	43.4
187.00986	2.9
187.04533	4.1
189.02466	2.7
189.06120	0.7
191.04018	1.8
195.01372	0.9
196.99364	1.3
197.02950	14.7
199.00978	3.4
199.04543	1.7
201.02486	2.3
201.07782	0.6
203.02176	0.4
203.04001	11.0
209.02991	2.4
211.00876	1.1
213.02472	1.4
215.00455	3.7
215.04008	9.6
217.01958	5.0
219.03531	1.8
221.05080	2.1
227.04021	9.4
229.02010	3.3
231.03561	3.0
239.03891	1.1
241.01939	1.8
245.05078	100.0
246.05194	0.8
246.08218	0.9
247.02986	4.2
247.08418	1.7
248.95639	0.7
253.01984	1.5
257.05060	6.0
259.03012	2.9
261.04599	1.0
263.06140	9.8
271.02979	1.9
273.04330	0.6
275.02502	4.2
275.06113	14.1
277.04337	0.7
283.03360	0.6
289.01031	1.1
289.04068	14.1
289.07404	1.3
293.07199	3.6
299.02502	1.8
301.03970	4.3
303.05646	1.1
305.07220	11.4
307.01700	0.8
307.05103	11.1
317.07037	0.8
319.05112	6.4
327.06857	0.9
331.05106	4.9
333.06717	0.9
335.08255	5.7
337.06250	1.3
343.05084	1.4
347.08167	0.8
349.06189	12.9
359.04651	4.1
361.06046	1.8
365.09296	19.3
373.06583	1.0
377.05704	4.4
391.07230	9.2
409.08411	6.4
411.10809	0.8
422.18286	0.7
469.11044	1.3
481.10446	1.3
483.11856	1.0
511.11523	5.6
539.10992	7.1
571.13275	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	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43735	1.0
52.03442	1.1
53.03941	4.9
55.01866	4.7
55.05511	20.4
57.03447	6.0
57.07080	3.5
60.08154	3.7
61.02924	3.7
67.05509	12.1
67.22120	1.0
67.22536	1.0
68.99797	3.1
69.03431	24.5
69.06730	1.5
69.07072	17.9
69.29932	8.6
69.30346	2.0
70.09557	1.2
71.04991	4.4
71.08631	1.3
73.02908	5.0
73.06556	1.8
79.05495	14.1
81.03428	19.4
81.07059	30.2
83.04964	1.8
83.08157	1.3
83.08627	17.1
85.02910	46.9
85.06538	2.5
86.09708	11.1
87.00831	26.0
87.04465	1.4
87.10035	1.8
87.49465	1.4
91.05467	10.6
93.07049	33.5
95.04980	3.2
95.08609	45.1
97.02893	24.3
97.03513	1.5
97.06538	4.4
97.10179	4.3
99.04459	8.9
99.08101	4.0
101.06010	3.3
104.10758	19.2
105.01878	19.7
105.07030	28.9
105.10458	1.2
105.11092	4.3
107.08599	48.0
109.02889	17.9
109.06534	2.0
109.10157	40.3
111.04448	1.1
111.08087	2.3
111.11698	3.5
111.43948	1.1
113.09626	1.4
115.03963	2.9
115.07575	4.5
117.01864	2.8
117.07035	2.1
117.09125	3.3
119.08588	36.7
121.10146	47.7
123.08107	1.6
123.11710	16.2
124.99998	8.2
125.02383	1.3
125.09602	1.9
127.03928	36.9
129.01811	2.5
129.09181	1.4
131.08528	10.2
133.10138	34.3
135.11700	31.1
137.09572	2.0
137.13258	3.6
139.11154	2.3
142.07726	1.3
143.08597	3.7
143.10675	10.8
145.04973	11.9
145.10120	21.6
147.02888	1.5
147.11687	26.1
149.09654	1.4
149.13278	18.8
151.11234	1.4
151.14835	2.0
155.10600	1.7
157.10123	6.4
157.12279	1.6
159.02890	7.9
159.11694	25.8
161.13264	25.8
163.11176	1.4
163.14819	28.9
165.12720	2.3
171.11690	7.0
173.13278	15.7
175.14832	12.9
177.12764	4.9
177.16393	27.7
177.17839	0.7
179.14317	5.5
184.07335	23.2
185.07689	4.6
185.13304	7.6
187.14825	16.0
189.04010	1.6
189.16396	34.0
191.14290	6.3
191.17950	14.7
193.15906	3.2
195.13785	1.6
199.14833	8.6
201.16405	12.4
203.14328	4.9
203.17902	5.9
205.15843	6.0
205.19525	4.0
207.17424	1.8
209.15369	14.2
213.03946	3.2
213.16432	11.1
215.18030	2.7
217.15988	3.3
217.19514	25.0
221.15341	12.2
223.16983	2.9
225.40331	1.2
227.17961	5.9
229.19537	5.3
231.05043	9.5
231.17500	2.1
241.19641	1.5
243.21112	3.3
243.63661	1.3
247.04443	1.5
249.05896	1.9
249.18568	1.4
257.22675	4.1
259.24261	4.1
269.22653	40.9
271.24203	8.5
273.18283	1.2
275.23602	1.8
287.23694	48.2
289.25284	5.9
305.24756	100.0
323.25806	9.8
395.25696	1.3
413.21082	1.7
453.24054	1.8
499.26523	1.5
507.64975	1.4
517.28107	1.3
535.31451	1.6
553.32880	2.3
571.33569	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	571.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56492	1.2
53.03941	9.0
55.01870	7.5
55.05500	7.7
57.03439	6.6
57.07076	1.6
61.02923	5.5
61.46497	1.2
62.72945	1.3
67.05499	6.1
68.99783	3.1
69.03431	35.2
69.07069	13.3
69.79900	7.2
71.05002	9.4
73.02920	7.3
79.05483	7.7
81.03425	39.9
81.07056	19.8
83.04988	3.1
83.08627	5.7
85.02913	71.1
85.06557	1.6
86.09695	2.4
87.00839	26.7
91.03961	3.2
91.05454	7.4
93.07043	16.7
95.04987	2.5
95.08608	23.3
97.02906	22.7
97.06548	5.9
97.10143	2.1
99.04467	16.5
103.03973	1.4
105.01872	26.6
105.07036	25.2
107.08601	16.2
109.02888	32.3
109.06506	1.7
109.09452	1.8
109.10162	14.8
115.07579	3.7
117.01888	5.1
119.08592	23.5
119.70138	1.2
121.10157	14.6
121.10960	1.9
123.11722	8.1
125.00017	1.7
127.03928	60.7
129.01851	5.8
129.06992	2.3
131.08571	6.9
133.10155	17.3
133.14609	1.3
135.11729	10.8
137.09708	2.0
137.13286	4.0
139.11206	2.4
143.08611	3.9
145.04962	22.6
145.10109	10.1
147.02859	3.1
147.11699	23.0
149.09677	1.6
149.13257	7.5
157.10132	7.0
159.02908	21.6
159.11691	9.4
161.13271	10.6
163.03876	1.4
163.11142	1.9
163.14830	3.8
167.10703	3.6
171.11711	3.8
173.13289	5.6
175.14854	7.4
177.12764	1.3
177.16418	3.1
184.07411	4.7
185.13193	6.9
187.14857	6.7
189.16391	100.0
191.17958	5.7
199.14873	6.5
201.16383	7.2
203.17998	3.6
213.04022	3.2
213.16455	4.4
215.17970	2.5
217.19530	7.3
227.17924	6.6
229.19666	2.8
231.04987	16.8
243.21159	2.1
245.19029	2.5
245.22714	3.2
249.05998	2.1
263.20145	1.5
269.13629	3.4
269.22644	25.4
271.24326	4.8
285.22061	1.5
287.23676	23.0
296.49530	1.7
303.23285	3.1
305.24777	55.3
323.25873	8.9
323.86011	1.6
325.16284	2.8
395.25800	1.6
426.29437	1.3
499.38266	1.6
509.27127	1.7
517.28119	2.2
527.28979	2.3
535.29041	5.0
553.30237	9.3
555.24030	1.4
571.30963	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
55.01862	5.2
55.05515	20.8
57.03432	4.2
57.07094	2.2
58.89012	1.8
61.02926	3.3
67.05510	15.7
68.99805	1.9
69.03432	26.2
69.07066	17.4
69.16689	17.3
71.04990	6.2
71.47706	1.6
73.02934	2.2
73.06541	2.4
79.05505	12.9
79.25605	1.8
81.03423	17.7
81.07064	35.3
83.08608	16.3
85.02910	49.8
85.06548	3.8
86.09700	5.2
87.00829	23.1
91.05485	11.1
93.06482	2.5
93.07052	37.8
95.04962	2.5
95.08614	45.4
97.02901	21.7
97.06522	6.0
97.10174	5.7
98.21587	2.7
99.04461	8.9
99.08089	7.2
101.06011	3.2
104.10757	9.8
105.01874	24.0
105.07039	35.4
105.11073	2.8
107.07877	3.3
107.08599	49.8
109.02873	15.9
109.06524	2.5
109.10167	42.7
111.04434	2.6
111.11726	2.7
113.47173	1.5
115.03924	4.2
115.07577	5.7
117.07116	2.1
117.09158	3.8
119.07723	1.8
119.08588	38.1
121.10148	47.9
123.11729	13.5
125.00025	2.1
125.09679	3.4
127.03928	39.9
129.07019	2.6
131.08540	10.7
133.10143	37.6
135.11703	36.1
137.09686	2.1
137.13251	4.3
143.08566	6.8
143.10645	8.9
145.04958	11.7
145.10129	22.6
147.11694	27.9
149.13246	19.1
151.23468	1.9
157.10107	6.9
159.02887	6.6
159.11702	24.8
161.13269	27.5
163.11249	2.5
163.14832	30.4
165.12640	1.7
171.11679	7.1
173.13257	18.3
175.07158	1.8
175.14819	13.3
177.12785	5.6
177.16393	24.4
179.14323	3.4
184.07396	11.5
185.07733	2.1
185.13268	9.7
187.14883	14.9
189.16403	37.5
191.14302	8.1
191.17958	14.5
193.06300	2.0
193.15930	2.9
195.13774	1.7
199.14871	10.6
201.16364	15.4
203.14273	3.1
203.17950	6.0
205.15881	8.2
205.19484	2.5
207.17419	2.7
209.15382	15.7
213.04106	2.3
213.16388	10.2
215.18024	3.5
217.15898	4.9
217.19507	30.0
221.15411	11.5
227.17958	5.0
229.19542	5.5
231.05054	9.3
231.17407	2.6
241.19540	2.0
243.21008	2.3
247.04541	2.9
257.22678	4.4
259.24292	5.6
269.22629	44.6
271.24182	7.1
275.23795	3.5
287.23685	50.3
287.26849	3.0
289.25208	4.0
305.24759	100.0
323.25824	7.6
395.25845	2.5
411.58865	1.7
467.11176	1.8
569.25049	2.0
571.34473	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	571.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08424	1.2
53.03950	5.1
55.01873	5.5
55.05515	17.5
57.03434	5.5
57.07084	2.6
61.02916	4.0
67.05511	15.1
68.99793	2.7
69.03079	2.7
69.03429	29.2
69.07072	16.4
69.18453	3.7
69.18881	11.0
71.04980	6.0
72.83003	1.3
73.02903	5.3
73.06575	3.3
79.05497	12.5
81.03425	20.6
81.07063	29.9
83.04981	3.4
83.08641	14.6
85.02913	55.3
85.06545	4.3
86.09694	2.0
87.00839	26.3
91.05483	11.9
92.01449	1.4
92.80530	1.4
93.07050	31.0
95.04964	4.9
95.08616	40.9
97.02907	22.0
97.06529	5.3
97.10175	5.4
98.20725	2.6
99.04468	8.8
99.08099	5.9
101.06011	2.0
105.01877	26.5
105.07041	29.6
107.08602	45.5
109.02889	21.9
109.06535	1.9
109.10168	37.1
109.54762	1.5
111.04461	2.0
111.08094	3.4
111.11729	2.5
115.07571	4.0
116.10765	4.0
117.01874	1.6
117.07007	3.6
117.09127	1.6
119.08594	37.7
121.10155	50.7
121.77596	1.4
122.78848	1.5
123.08077	3.9
123.11720	15.2
125.09633	5.3
127.03920	43.2
129.01865	2.2
129.07010	1.9
131.08574	12.1
133.10147	34.2
135.08122	1.4
135.11719	26.4
137.13277	3.4
139.11177	3.4
143.08556	6.8
143.10693	9.3
145.04967	11.9
145.10117	21.4
147.02914	1.6
147.11700	28.5
149.13272	19.1
151.11200	1.5
151.14725	1.6
157.10205	8.5
158.11020	1.6
159.02914	8.2
159.11711	26.8
161.13268	33.7
163.03857	1.5
163.11176	2.2
163.14832	30.8
165.12704	1.6
170.10950	1.4
171.11726	8.0
173.02396	1.6
173.13263	18.4
175.14833	14.4
177.12773	4.8
177.16394	21.3
179.14386	11.8
183.11691	2.2
184.07352	4.4
184.12614	1.6
185.13284	9.7
187.14850	20.0
189.03857	1.6
189.16399	22.5
191.14325	6.0
191.17952	17.5
193.15909	1.8
199.14847	10.5
201.16391	14.0
203.14449	2.2
203.18004	3.6
205.15897	4.7
205.19537	5.0
207.17493	2.1
209.15387	13.9
213.03949	3.6
213.16423	13.6
215.17928	5.5
217.15913	4.7
217.19508	23.8
221.15401	11.1
223.16959	2.9
227.17978	6.3
229.19571	6.1
231.04976	10.8
231.17548	2.7
243.21027	4.0
249.05957	2.4
257.22568	5.9
259.24249	5.0
269.22665	47.1
271.24167	4.5
285.22144	1.7
287.23715	61.3
289.25125	2.0
295.06009	3.2
305.24771	100.0
322.24796	1.7
323.25833	13.1
395.26050	2.8
455.27588	2.2
467.68839	1.5
517.28168	2.5
553.29907	2.1
571.30206	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	571.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62029	2.8
50.86272	3.3
53.03933	4.4
53.54837	2.4
55.01872	18.6
55.05514	45.9
55.65025	2.8
57.03439	3.3
57.07076	6.9
57.93660	2.5
59.05006	3.7
60.67482	2.4
65.03946	3.5
66.21869	2.5
67.05508	74.0
69.07069	49.3
69.28286	26.3
71.05003	7.7
71.08612	4.1
79.05496	50.2
81.07059	73.1
83.04981	7.8
83.08622	25.1
85.06532	3.8
87.54560	2.6
91.05486	42.8
93.07051	61.6
95.04963	4.2
95.08611	64.6
97.06530	28.1
97.10159	18.6
99.08109	3.4
105.07043	46.3
107.08595	44.2
109.06524	2.6
109.10170	34.4
111.11728	3.9
117.07016	25.0
119.08588	43.5
121.06551	3.3
121.10154	28.7
123.08076	4.8
123.11699	12.0
125.09638	14.2
128.06282	3.9
129.06999	17.4
131.08569	36.1
133.10149	30.7
135.11722	22.4
137.09595	2.8
137.13269	3.3
139.11182	4.0
141.07062	6.2
142.07797	3.5
143.08575	21.1
145.10159	37.8
147.11684	25.5
149.09653	3.2
149.13309	8.5
155.08539	12.5
157.10141	20.0
159.11697	31.0
161.13274	11.7
163.11259	3.1
163.14803	3.4
167.08632	4.0
169.10120	14.1
171.11734	23.2
173.13284	19.8
175.14815	6.6
178.09174	3.1
181.10089	5.6
183.11705	12.7
185.13231	19.2
187.14809	14.0
189.11206	3.7
189.16414	3.6
195.11729	7.3
197.13339	12.6
199.14838	11.9
201.16335	6.6
209.13289	6.0
210.63712	3.2
210.90874	3.0
211.14803	7.1
213.16422	8.2
221.15250	2.7
223.14842	6.6
225.16338	4.6
227.17851	6.7
237.16362	2.9
239.17996	3.9
241.19437	3.5
249.18506	3.5
251.20079	3.6
257.18948	2.8
275.20047	6.7
277.21750	16.4
287.20255	4.1
289.21765	5.6
291.23196	3.5
301.21790	4.7
311.25882	3.6
313.17770	2.8
313.21484	4.4
315.23309	5.8
317.24771	5.8
327.23306	5.6
329.24841	5.3
335.25797	4.3
341.24683	3.7
369.27264	3.8
383.29446	3.5
385.30966	10.1
387.29453	3.1
399.32635	6.4
411.32175	3.5
423.32791	15.4
427.32718	3.4
441.33765	6.3
447.33051	6.0
457.36835	5.0
459.28668	5.2
459.34714	60.7
459.41135	3.7
465.33990	5.0
473.36209	8.1
475.21930	2.8
483.34729	6.7
484.35434	4.4
513.39374	4.9
517.40588	12.9
535.41272	23.8
536.41724	4.8
553.42542	100.0
554.42426	4.4
571.43359	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.2
51.83407	1.5
53.03951	7.1
55.01867	4.4
55.05515	33.9
57.03423	3.5
57.07075	13.3
65.03935	2.9
67.05511	55.0
69.03423	3.1
69.07069	36.9
71.04997	4.1
71.08627	4.2
71.12701	3.3
73.06547	1.6
79.05495	53.8
81.03428	11.4
81.06590	2.8
81.07065	57.7
83.04991	10.1
83.08624	18.4
85.06540	4.1
85.10188	21.1
89.06033	4.8
90.50184	1.3
91.05486	48.4
93.07046	60.7
95.04980	19.8
95.08614	47.3
97.06544	9.2
97.10172	11.0
99.08099	3.2
105.07038	49.1
107.04971	12.5
107.08598	33.3
109.06541	7.3
109.10157	20.5
111.08101	4.1
111.11716	1.7
113.09642	24.2
117.07035	16.5
119.08591	41.0
120.09364	2.0
121.06518	3.2
121.10143	33.8
123.08064	5.0
123.11710	5.8
125.09639	3.8
125.36256	1.4
128.06155	2.1
129.07028	7.1
131.08575	26.7
133.08630	3.4
133.10141	36.1
133.47774	1.3
134.10896	3.0
135.08070	8.4
135.11710	18.0
137.09634	10.5
137.13161	1.8
139.11201	8.8
143.08601	7.5
145.10135	19.3
147.11693	27.1
149.09636	13.1
149.13280	8.8
151.11182	5.5
155.08586	2.5
157.10135	8.5
159.11687	16.0
161.13255	13.6
163.11198	8.9
163.14827	4.3
165.12766	27.6
167.10631	1.8
169.10133	3.9
171.11681	7.5
173.13251	11.6
175.11195	3.6
175.14900	6.7
177.12688	2.0
179.14323	2.0
181.10103	1.6
181.12202	1.9
183.11708	5.1
185.13303	5.1
187.11174	1.5
187.14828	2.3
189.12831	2.3
189.16447	2.4
193.15988	2.5
195.11758	2.0
197.13235	3.9
199.14864	3.6
201.12627	1.5
201.16418	2.6
203.12798	5.8
207.13756	2.7
213.16531	3.3
215.18027	2.5
221.15417	3.4
223.13271	3.7
225.16354	2.0
229.19571	2.4
231.17485	2.1
233.15363	1.8
237.14851	3.9
239.17911	2.5
241.19487	5.2
243.21211	2.2
247.16910	2.8
249.22250	2.4
257.19043	6.4
259.20593	13.2
261.22241	2.2
275.20081	82.3
276.20898	10.4
276.91180	1.5
277.21637	100.0
279.23178	3.4
284.52457	1.3
287.20023	1.6
293.21198	11.0
295.19318	3.1
295.22690	63.2
301.21594	3.3
303.23187	2.7
313.21490	1.6
315.23145	2.0
318.92081	1.6
369.31525	4.1
371.29358	5.9
372.22668	1.8
401.25784	1.5
423.32410	3.5
441.33481	5.3
517.40344	4.4
535.41443	6.2
553.42566	16.5
565.91241	6.8
571.43390	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	571.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.0
54.64657	0.8
55.01861	3.5
55.05513	23.5
57.03420	2.6
57.07084	5.2
57.07312	0.9
59.04993	1.2
65.03925	3.3
67.05506	51.2
69.03444	5.1
69.07070	39.4
71.04988	5.3
71.08630	6.3
71.18007	2.4
73.06572	1.9
79.05495	43.4
81.03419	16.9
81.07059	50.0
83.04970	9.3
83.08621	8.6
85.06550	5.6
89.06023	1.9
90.98567	1.0
91.05482	35.6
93.07045	57.3
95.04977	18.9
95.08611	41.5
97.06536	9.3
97.10173	11.1
99.08086	4.0
101.06026	1.4
103.05460	1.1
105.07030	36.2
107.04955	8.6
107.07879	1.8
107.08596	30.4
109.06514	5.9
109.09464	1.6
109.10155	17.1
111.11706	3.1
113.09620	1.3
113.55991	0.9
115.05439	1.4
117.07011	12.1
119.08586	33.7
120.09341	2.2
121.06451	2.2
121.10143	32.6
123.08073	3.9
123.11732	6.1
125.09614	2.2
129.07028	5.6
131.08577	17.3
133.08600	1.2
133.10138	30.1
134.10931	1.7
135.08046	6.0
135.11687	15.9
137.09630	11.6
139.11177	14.5
143.08559	7.5
145.10127	15.0
147.08147	1.1
147.11702	17.1
148.12550	1.4
149.09566	3.5
149.13283	8.7
151.11206	8.9
155.08533	1.6
157.10167	4.6
159.11693	12.7
161.13240	10.4
163.11186	3.4
163.14822	3.7
165.12730	2.3
167.14445	1.1
169.10127	2.9
171.10345	1.1
171.11674	5.5
173.13281	10.1
175.11162	1.3
175.14879	4.6
177.12633	1.2
177.16435	1.3
179.14328	1.4
181.12006	1.0
183.11703	2.5
185.11740	1.4
185.13271	3.9
187.14822	3.2
189.12708	1.5
189.16373	1.9
191.14203	1.0
192.91812	1.0
193.12219	1.1
193.15794	1.0
195.13773	1.2
197.13287	1.8
199.14828	4.1
201.12898	1.1
201.16394	1.6
203.12746	10.6
203.14246	1.1
207.13799	2.4
213.16429	1.5
215.17964	1.4
219.13824	1.1
221.15443	2.8
231.17361	1.2
231.21039	2.5
237.14893	3.6
238.28105	1.0
239.17865	1.5
241.19620	6.0
247.16956	1.3
249.22182	2.9
257.18991	2.9
259.20578	10.0
261.22177	1.1
275.20071	62.1
276.20773	5.9
277.21628	100.0
279.23242	2.5
282.85315	1.1
293.21173	9.3
295.22678	57.2
301.21640	3.7
313.21362	1.0
359.29541	1.5
369.31647	5.7
371.29495	7.7
385.31012	2.2
387.32474	2.3
502.26917	1.1
517.40167	2.4
535.41431	3.9
553.42377	7.8
571.43591	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	571.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	10.3
55.05515	28.4
56.50022	5.9
57.07095	7.7
57.68304	5.7
65.03912	5.4
66.14362	5.0
67.05505	73.4
69.07076	72.8
71.04996	7.3
79.05495	66.5
81.07060	89.9
83.04982	11.9
83.08630	26.4
89.06027	12.9
91.05496	38.5
93.07049	100.0
95.04981	16.5
95.08610	74.0
97.06519	15.9
97.10178	21.1
103.05402	5.7
105.07031	39.9
107.04949	16.2
107.08589	31.8
109.10148	33.0
111.11696	7.5
113.80962	5.6
117.07019	18.3
119.08589	41.4
121.06457	6.2
121.10161	47.7
123.11726	13.0
131.08578	32.0
132.50841	6.1
133.08621	9.6
133.10135	20.9
135.08055	12.5
135.11688	11.8
137.13187	6.3
139.11183	19.4
143.08569	12.1
145.10129	17.4
147.11703	21.5
149.09656	8.8
149.13275	12.4
155.08664	5.6
159.11705	21.9
161.13272	7.4
169.10062	8.1
171.11679	7.5
173.13284	11.3
197.13354	8.0
199.14827	8.8
203.12788	18.3
237.14856	15.1
257.19086	6.5
275.20065	69.5
276.91046	6.8
277.21600	15.4
279.23203	8.1
293.21097	62.1
296.49243	6.5
329.24158	5.0
338.76920	5.1
369.31546	10.4
371.29352	17.7
461.72861	6.6
535.41150	11.5
538.62579	5.8
553.42200	32.5
565.91382	15.6
571.46381	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.7
56.49094	1.3
57.07077	26.2
63.30858	1.3
67.05520	2.7
69.07064	4.1
71.08633	30.7
71.53501	2.2
73.06552	9.2
79.05498	1.7
81.07047	3.1
83.08619	7.8
85.10190	27.8
87.04457	5.1
89.06036	100.0
93.07057	2.9
95.08570	2.5
97.10226	2.0
99.11726	2.4
105.07027	1.6
107.07055	3.4
117.09144	9.5
130.08609	2.3
133.08609	57.2
141.16397	5.3
161.11719	1.6
175.09665	1.7
177.11226	27.4
185.19008	4.0
221.13802	7.2
226.21776	1.6
229.21584	12.1
265.16486	2.5
273.24249	7.0
280.52042	1.6
311.25806	7.6
327.20218	2.2
362.02164	1.6
396.57910	1.5
415.25381	6.3
511.38400	2.0
555.41174	12.1
572.43323	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	573.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.5
55.05500	5.3
57.07066	2.2
59.85325	1.2
66.11141	1.1
67.05534	5.7
67.81902	1.2
69.07056	1.9
70.26745	5.1
71.08625	1.2
79.05498	5.6
81.03441	1.6
81.07063	7.7
83.04997	1.9
83.08620	2.0
91.05484	5.5
93.07059	4.7
95.08598	4.3
97.06552	2.2
97.10191	2.4
98.98474	6.9
105.07028	5.1
106.06549	1.6
107.08593	3.7
108.08122	1.8
109.10150	2.6
117.07018	2.2
118.22826	1.1
119.08578	3.0
121.10153	2.0
129.06960	1.7
131.08531	1.9
133.10138	1.2
134.06018	3.6
145.10143	2.3
147.11678	1.9
160.10030	1.5
163.11224	1.1
169.10059	1.6
171.09151	2.1
173.10773	1.5
183.09161	3.4
184.09981	3.4
187.08693	1.6
195.09077	1.7
196.09984	4.0
197.10738	6.9
198.11479	1.5
199.08704	2.6
199.12422	1.7
204.60921	1.2
208.11299	1.9
209.10736	3.0
210.11548	5.0
211.08577	2.6
211.12328	4.1
212.09367	2.5
212.51294	1.2
213.10262	2.5
214.07452	1.3
223.08737	2.8
224.09375	7.0
224.12987	1.6
225.10330	7.6
225.13844	9.0
227.08144	6.5
227.11885	3.9
228.08841	1.5
228.12442	1.6
229.09789	2.8
237.10300	5.7
238.11069	5.2
239.11790	14.7
240.12643	5.7
241.09726	9.7
251.11864	3.2
253.09454	2.3
253.13371	49.5
255.11371	3.4
255.15013	2.9
275.11798	1.7
275.20187	4.3
281.17615	2.1
283.10886	5.2
288.11356	4.9
288.14755	1.8
288.33026	1.5
291.15036	2.5
297.12390	2.9
300.11508	2.7
301.12460	3.0
302.12906	19.7
303.13846	6.9
303.16965	1.6
304.14511	1.9
313.27484	3.2
314.13077	2.7
315.13480	8.8
316.14484	14.0
317.15210	15.7
318.15933	7.2
329.11624	1.5
329.16461	2.7
330.12622	1.4
330.15936	5.6
331.16797	10.5
332.10504	5.8
332.17548	27.6
342.12314	2.5
343.13223	2.1
344.13913	3.1
344.17615	2.1
345.11014	2.1
346.12054	15.5
346.19119	39.0
347.12665	5.0
347.19980	19.9
348.20825	4.9
349.23923	1.4
358.15521	17.3
360.13431	16.0
361.14236	15.6
362.14960	14.9
372.17172	5.3
374.14749	3.2
374.18695	8.9
375.15787	24.5
376.16580	34.5
383.28210	1.8
390.18134	85.7
391.18936	31.8
392.19696	8.3
423.14563	1.7
435.18344	3.6
439.17737	1.6
449.19952	2.2
453.18954	2.0
505.22495	2.6
511.27286	4.6
512.25323	1.4
523.23737	5.7
525.21320	2.6
529.28186	32.1
537.24927	7.6
555.26044	80.5
556.25500	2.9
558.24335	1.4
573.27100	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.6
55.01860	4.1
55.05514	24.0
57.03431	3.8
57.07077	13.4
60.34315	2.4
61.40117	2.1
67.05509	50.7
69.03427	4.7
69.07071	28.7
71.08617	15.0
71.53015	2.8
79.05499	31.4
81.03425	14.4
81.06596	3.2
81.07060	52.8
83.04974	6.4
83.08607	12.2
85.06539	3.5
85.10201	4.7
91.05482	22.3
93.07052	46.4
95.04977	13.9
95.08609	39.5
97.06507	7.8
97.10163	12.7
99.08076	3.7
101.06037	2.8
105.07028	20.0
107.08588	25.4
109.06482	3.5
109.10162	21.0
110.15108	2.2
117.06995	6.5
119.08594	15.7
121.10161	33.4
123.11700	7.5
129.07031	3.5
131.08545	9.4
133.10162	12.3
135.11671	9.1
137.09627	11.2
137.13261	2.9
139.11162	9.8
145.10126	5.5
147.11670	7.8
149.13252	10.9
151.11177	10.5
159.11716	7.8
161.13261	9.0
163.14844	2.8
173.13286	6.7
175.14789	3.1
179.14362	3.1
185.13264	3.3
203.12782	9.4
221.15366	3.4
243.21103	3.4
259.20551	2.9
261.22125	7.4
277.21646	100.0
279.23178	8.8
295.22684	86.9
303.23453	5.5
313.27167	3.3
317.24673	3.7
371.32965	8.1
373.31122	8.2
519.42383	3.4
537.43274	3.9
555.43695	10.8
573.47803	20.2
580.67590	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	574.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.3
55.01864	9.8
55.05506	4.4
57.03436	2.1
58.46915	1.1
58.51535	1.1
67.05508	7.4
69.03434	12.4
69.07069	13.0
70.06602	1.8
71.04998	6.8
71.36457	2.0
79.05494	14.7
81.03425	30.4
81.07065	22.3
83.04978	3.2
83.08619	1.7
85.02907	4.2
85.06524	5.7
86.09705	1.4
91.05470	8.8
93.07050	34.8
95.04965	6.0
95.08614	14.2
97.02899	4.8
97.06541	11.6
99.04463	15.2
105.04552	1.2
105.07032	27.9
107.04948	1.6
107.08598	45.6
109.02887	26.9
109.06528	13.3
109.10167	2.4
111.08064	6.2
113.06040	2.8
117.07003	2.5
119.08603	7.9
121.06516	14.6
121.10145	26.1
123.04413	1.9
123.08056	7.6
125.05986	2.7
127.03929	22.3
127.07561	2.9
131.08594	2.5
135.08032	4.9
135.11700	14.1
137.09569	2.1
139.07539	1.8
139.11189	3.8
143.08595	2.7
145.05043	1.2
145.10129	29.4
147.08057	2.7
147.11690	4.7
149.06046	1.8
149.09627	16.0
151.03920	1.6
151.07533	7.7
153.12749	1.9
155.08449	1.2
161.09686	2.8
163.03882	1.5
163.11186	68.7
165.12762	2.2
167.10690	23.8
169.08614	76.1
173.09607	7.4
181.12251	17.9
181.72536	1.2
185.11760	3.9
191.10689	36.5
209.11742	41.3
227.12794	100.0
243.71851	1.4
253.88168	1.2
255.12346	2.8
257.04678	1.7
269.13959	7.5
271.13339	2.2
277.10779	2.2
289.14270	4.8
292.88123	1.4
293.13864	1.4
311.15033	1.6
317.13766	3.3
335.14941	6.2
353.15955	40.8
371.17004	28.1
389.17911	1.9
454.65103	1.3
574.28381	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	574.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04776	0.6
55.01844	0.8
55.05503	4.9
57.03426	4.0
57.07077	36.8
67.05509	9.4
69.07068	7.7
69.73931	3.1
69.74339	1.2
71.08245	1.5
71.08633	29.3
73.02901	0.7
75.04472	2.1
79.05476	0.9
81.03420	1.4
81.07058	15.2
83.08211	0.9
83.08617	8.7
85.02911	0.9
85.10186	16.4
88.79232	0.7
89.06032	0.7
95.08606	21.5
97.10198	4.5
99.11732	1.0
107.08589	0.8
109.02863	2.1
109.10155	9.7
111.11728	1.8
123.11720	5.0
125.13267	0.7
127.03871	1.3
137.13188	1.0
143.44756	1.0
191.00075	2.7
221.22670	1.2
239.23682	24.2
244.16516	0.7
257.24786	4.6
313.27362	100.0
331.28467	18.3
465.25296	1.3
539.28979	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	574.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	3.4
55.01870	10.3
55.05511	16.4
57.03436	13.3
57.07079	39.5
67.05509	25.8
69.03418	2.9
69.07066	12.4
69.34077	16.8
69.34497	6.5
71.01350	3.0
71.05003	3.6
71.08634	28.2
79.05502	18.9
81.03425	18.7
81.07060	28.1
83.04987	18.8
83.08622	12.7
83.18135	2.9
85.02886	3.3
85.06523	3.0
85.10184	13.5
87.04470	51.0
91.05485	11.0
93.07041	25.8
95.04959	5.3
95.08606	26.3
96.48306	3.3
97.02890	5.1
97.06542	5.5
97.10179	4.8
103.05419	3.7
105.07044	6.9
105.22270	3.3
107.04950	9.2
107.08600	11.3
108.08840	2.9
109.06535	2.9
109.10146	17.5
111.04422	14.2
117.06995	7.8
119.08601	10.1
121.10159	10.8
123.08107	3.3
123.11702	3.6
125.09589	3.7
131.08586	5.6
135.11691	15.3
145.10126	18.0
149.09598	4.0
153.12750	10.2
163.11203	27.4
173.09592	4.0
181.12263	9.3
191.10701	10.9
209.11746	24.3
227.12871	22.9
257.24655	4.2
265.14359	7.0
283.15411	29.6
301.16470	67.6
313.27383	100.0
486.56717	3.1
521.38416	34.1
539.39453	65.9
574.39789	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	574.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
53.98214	2.1
55.01872	5.2
55.05516	11.8
57.03442	11.6
57.07077	40.5
67.05180	2.8
67.05503	29.9
67.10541	2.1
67.89787	1.9
68.64124	2.0
69.07066	9.2
70.00244	5.1
70.00637	4.2
71.08632	26.7
77.79609	1.8
79.05491	19.4
81.03417	8.0
81.07055	31.6
83.04992	5.6
83.08629	13.3
85.02908	2.6
85.06529	2.1
85.10183	14.9
87.04471	24.6
91.05475	13.6
93.07035	31.9
95.04958	9.6
95.08608	39.1
97.02889	3.8
97.06541	5.4
97.10193	4.1
105.07026	8.2
107.04945	8.4
107.08595	16.0
109.06557	2.8
109.10150	10.0
111.04447	2.7
117.07040	10.7
119.08589	10.7
121.06509	5.0
121.10141	12.3
123.11730	4.2
129.07001	2.5
131.08562	7.2
133.10168	3.5
135.11699	31.2
145.10138	24.9
153.12709	3.0
163.11180	40.1
173.09592	7.5
181.12262	5.0
191.10710	7.4
203.65923	2.5
209.11766	8.0
224.62257	2.3
227.12782	55.1
265.14502	11.4
265.17014	2.4
283.15399	66.6
301.16455	24.1
313.27368	100.0
512.46277	2.1
521.38416	64.8
539.39594	24.7
574.39111	5.4
574.48444	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	574.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	12.5
57.03436	6.4
57.07079	32.5
62.84867	1.2
63.73581	1.2
65.03933	2.1
67.05506	43.5
69.07063	8.9
70.77802	3.4
71.04993	21.8
71.08639	22.2
79.05507	10.3
81.07056	72.4
83.04967	2.4
83.08618	10.8
85.06548	7.3
85.10189	16.0
87.04465	15.1
89.06041	1.7
91.05476	15.2
93.07043	11.2
95.08605	22.1
97.06496	3.4
97.10169	4.8
105.07033	7.7
107.08602	9.2
109.10156	13.3
111.08071	1.5
117.07024	2.2
121.10137	2.2
123.11706	14.1
125.09590	1.6
131.08577	3.0
133.10103	11.4
135.11670	2.1
149.13254	2.1
151.11171	5.6
159.11685	3.6
183.13811	3.7
187.13277	2.4
239.23694	3.4
257.17294	1.7
269.17444	4.5
283.26297	4.1
301.20099	22.7
304.57117	1.3
313.27338	30.7
345.12976	1.3
433.76022	1.6
481.38898	100.0
495.40402	4.1
507.40659	5.7
539.43079	59.3
574.48962	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	576.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	15.8
55.01860	15.2
55.05502	29.2
55.49882	6.3
57.03426	8.1
57.07061	11.8
67.05238	6.2
67.05513	66.1
69.03424	29.7
69.07058	20.5
71.52060	9.4
79.05142	6.6
79.05502	81.1
81.03421	29.7
81.07067	76.2
83.04993	10.8
83.08637	16.1
85.02910	64.0
86.09695	7.1
87.00809	14.0
91.05491	92.6
93.07048	90.6
95.04967	15.9
95.08610	58.6
97.02891	29.2
97.06525	10.0
97.10178	10.4
99.04443	28.7
103.03942	41.8
105.01850	18.7
105.07042	91.7
107.04989	7.8
107.08608	72.7
109.02858	24.4
109.06535	11.9
109.10147	37.4
111.04469	9.5
111.08118	6.2
117.06992	17.7
119.08587	69.0
121.06519	8.0
121.10145	59.4
123.11689	15.7
125.05929	7.0
127.03915	91.8
129.07008	17.4
131.08618	36.1
133.10146	100.0
135.11697	61.4
143.08516	9.3
145.04997	32.9
145.10104	30.1
147.11703	46.9
149.13278	33.5
155.08527	7.7
157.10146	13.2
159.11690	35.2
161.13278	29.8
163.06035	15.4
171.11671	15.9
173.13268	28.1
175.14830	14.0
183.11742	18.7
185.13251	6.8
189.16437	17.9
193.12202	10.8
197.13254	13.1
215.17941	26.2
222.97887	6.7
231.20952	12.0
235.16893	8.7
239.17955	53.8
249.22441	6.4
257.19006	16.3
267.15952	10.0
275.20068	64.2
293.21179	51.6
307.10205	9.0
353.81912	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	576.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.05512	8.7
57.03234	1.2
57.03450	11.7
57.07082	28.3
60.90133	1.1
62.49972	1.2
67.05513	14.9
69.03399	1.2
69.07071	8.6
69.36658	10.5
71.08640	22.1
79.05493	8.6
81.03425	70.3
81.07061	19.4
83.04994	2.7
83.08619	20.2
85.10192	13.3
91.05484	12.4
93.07058	5.9
95.04978	16.6
95.08611	17.5
97.02920	2.0
97.10175	5.4
98.21483	1.9
105.07021	8.6
107.04965	3.3
107.08606	3.1
109.06541	2.3
109.10159	10.2
111.08092	5.0
111.11703	1.3
117.07034	1.2
119.08605	8.0
121.10142	4.1
123.11712	4.2
129.07027	5.5
131.08604	5.8
133.06487	3.4
133.10156	3.0
137.06024	1.3
137.09538	1.3
137.13245	1.4
142.07771	2.1
147.08067	3.1
147.11682	5.3
149.09633	4.5
157.10147	7.2
165.12732	1.4
175.11220	7.4
193.12259	23.4
203.73778	1.2
239.23598	1.6
249.14728	1.8
257.24860	2.9
267.15933	100.0
289.83508	1.2
313.27386	92.0
321.23813	1.2
332.28964	1.4
365.44910	1.2
366.13077	1.2
412.50858	1.4
415.00568	1.5
442.21042	1.2
505.38925	92.0
558.90930	1.3
576.49591	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	577.268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
55.01872	5.6
55.05515	11.4
57.03441	6.8
57.07064	2.5
61.02924	1.1
62.01901	0.8
65.03946	1.2
67.05511	25.2
69.03429	6.3
69.07073	9.5
70.49730	3.3
71.04990	2.9
71.08645	1.0
71.69424	0.9
73.02927	5.5
75.04456	1.6
79.05499	39.4
81.03418	7.2
81.07062	29.2
83.04967	2.0
83.08623	5.1
85.02902	6.5
85.06544	2.3
86.09675	0.8
91.05488	37.5
93.03391	1.2
93.07051	52.1
95.04961	3.6
95.08611	20.7
96.51082	0.9
97.02892	1.7
97.06551	2.5
97.10183	2.9
99.04466	5.5
99.08098	3.5
104.68718	1.0
105.04513	1.0
105.07038	38.0
107.08606	31.6
109.02882	12.3
109.06506	1.5
109.10162	8.3
110.03665	3.8
111.04478	5.8
111.08068	1.6
113.09632	1.4
115.05484	1.1
117.07018	10.2
117.90517	0.9
119.08587	38.2
121.10153	27.2
123.08109	1.2
123.11702	3.1
125.09656	1.7
127.03918	6.2
128.06165	0.9
129.06998	7.4
131.08583	15.1
132.99559	2.9
133.09126	1.6
133.10130	31.9
135.08096	1.8
135.11697	25.5
137.09651	1.1
142.07777	1.4
143.08569	8.2
145.10130	18.1
147.08076	1.2
147.11700	32.9
149.09595	3.0
149.13268	15.3
151.11217	1.4
157.10159	7.9
159.11737	13.9
161.09647	1.2
161.13261	22.9
163.11191	2.8
163.14790	6.3
168.62119	1.0
169.10127	1.7
171.11684	10.3
173.13234	7.5
175.11224	1.6
175.14853	10.1
176.25465	0.9
177.12762	2.2
185.13292	9.5
187.14803	3.9
189.12784	0.9
189.16502	1.4
191.00078	4.8
191.14418	1.1
197.13327	1.1
199.14757	5.5
201.16451	1.2
203.14267	1.9
213.16382	3.5
217.15817	1.2
217.19641	1.5
219.17537	1.0
231.17422	1.6
231.21075	6.1
241.19545	25.0
257.19162	1.4
259.20587	71.4
268.16006	1.1
277.21661	8.3
301.21591	2.2
315.22971	1.7
333.24258	11.0
349.23782	1.9
351.25314	100.0
363.24796	1.2
367.22757	2.0
375.25278	2.5
431.18906	1.3
441.26239	1.2
441.74326	1.1
449.19962	1.8
467.20911	2.4
485.21829	2.2
523.23944	1.1
541.24390	1.1
559.25555	7.0
577.26550	2.8
579.14337	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
55.01876	9.6
55.05515	15.4
57.03448	6.5
57.07064	1.9
59.05018	1.1
65.03947	8.6
67.05509	34.5
69.03432	11.3
69.07069	15.8
70.12460	3.5
70.12868	2.2
71.04991	4.4
71.08631	6.6
72.80408	0.9
73.02922	14.2
75.04471	1.1
77.03896	1.1
79.05499	27.9
81.03420	13.0
81.07060	35.7
83.04538	1.0
83.04984	6.1
83.08627	11.0
85.02921	7.6
85.06541	2.2
91.04911	1.6
91.05480	29.6
93.07046	43.1
95.04971	5.5
95.08615	25.1
97.02879	5.0
97.06538	7.8
97.10164	2.9
99.04456	6.5
99.08081	7.6
105.04536	1.2
105.07037	25.1
105.07698	2.1
107.04980	2.8
107.07885	1.6
107.08602	23.1
109.02888	20.6
109.06519	3.3
109.10142	8.0
110.03665	3.5
111.04440	13.9
111.08083	3.9
112.72211	1.0
113.09681	1.3
117.07043	8.6
119.08591	21.4
121.02850	3.4
121.06551	1.6
121.10149	18.2
123.08080	3.6
123.11683	2.8
125.09645	2.0
127.03925	9.3
128.64143	1.0
129.02698	1.1
129.06975	5.3
131.08563	7.6
132.99557	7.4
133.10132	18.4
135.11697	19.6
137.09625	2.2
138.31500	1.0
139.03876	2.7
139.11215	2.0
143.08572	4.7
145.10135	10.1
147.04443	1.2
147.11694	17.5
149.02356	100.0
149.03438	8.1
149.09660	2.1
149.13254	10.9
151.00655	2.0
151.11182	5.0
157.10165	4.0
159.11694	8.1
161.09628	1.0
161.13278	11.0
163.11192	3.0
163.14851	3.0
165.12798	3.3
167.10649	1.3
171.11713	5.1
172.99036	1.4
173.13287	5.5
175.03986	2.1
175.14832	3.8
177.05479	1.3
177.12785	1.9
179.14313	31.9
181.10185	1.1
181.12189	1.3
183.11737	1.2
185.13293	3.7
187.14983	1.0
189.12782	2.7
191.00151	5.5
193.04974	41.2
193.12131	1.5
195.13737	1.5
199.14835	2.6
207.13762	1.3
209.01089	1.8
213.16309	1.5
217.16005	1.2
219.06569	2.5
221.15402	2.0
231.17654	1.1
231.21063	1.7
235.16974	1.3
241.19525	9.1
252.74107	1.0
259.20566	31.3
261.22153	1.1
265.03824	1.4
275.20178	1.7
277.21640	56.9
278.22220	1.2
291.19437	1.1
295.22748	4.3
313.06961	1.7
315.23175	1.8
333.24292	7.2
341.06564	2.4
351.25311	57.6
359.07626	2.4
385.09198	13.2
396.79117	1.0
485.22043	1.7
541.24066	1.6
559.25720	6.8
559.36090	2.4
577.13232	67.8
577.26581	22.6
577.33960	7.5
578.13281	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	577.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66013	2.2
53.03937	7.0
55.01870	9.7
55.05272	3.4
55.05518	44.7
57.03437	8.9
57.07071	6.1
61.32874	2.1
65.03922	4.8
67.05511	87.1
69.03444	3.0
69.07070	23.4
69.49272	16.7
71.04991	3.3
72.50295	2.3
77.03909	2.6
79.05498	60.5
80.60654	2.5
81.03420	5.8
81.07063	100.0
82.32260	2.1
83.04976	8.1
83.08631	22.4
85.06554	3.7
91.05486	54.5
93.06486	4.7
93.07049	63.4
95.04957	9.9
95.08616	65.1
97.02879	3.0
97.06537	8.1
97.10177	26.8
99.00829	9.3
99.08092	3.4
105.07037	46.1
107.04966	7.9
107.08605	42.4
109.02854	10.3
109.06522	6.6
109.10153	38.5
111.04452	6.3
111.08092	5.1
113.82802	2.1
114.20308	2.0
115.71928	2.8
117.07027	16.9
117.14238	2.2
119.08593	33.5
121.06503	5.1
121.10146	23.4
123.08084	3.8
123.11680	12.9
125.09632	21.0
128.06197	2.3
129.06998	11.5
131.08585	27.1
133.10143	43.2
135.08075	4.2
135.11691	21.5
137.09608	4.6
137.13281	4.1
137.93848	2.2
141.06973	2.6
143.08543	14.1
145.06494	2.4
145.10132	27.3
147.08026	4.2
147.11722	16.5
149.09569	3.8
149.13272	10.0
151.11169	15.0
153.09158	2.5
153.12805	3.8
155.08569	6.6
157.10147	14.1
159.07985	2.6
159.11703	13.6
161.09608	17.0
161.12067	2.8
161.13245	15.3
163.11174	7.3
163.14806	5.2
169.10141	8.6
169.12354	2.7
171.08020	4.5
171.11720	8.3
173.09718	2.9
173.13326	12.8
175.11223	2.8
175.14763	3.9
179.10703	8.8
179.14325	3.2
181.12395	3.0
183.11708	7.4
185.13275	7.6
187.11198	2.2
187.14862	7.0
189.09126	8.2
189.11241	9.8
189.12816	4.2
189.16338	2.8
197.11653	3.9
197.13283	5.2
199.14902	3.5
201.16422	2.7
207.10123	2.4
209.13345	3.5
213.16455	3.3
225.11264	15.2
227.12796	22.2
235.26019	2.1
237.16446	3.0
243.12257	4.1
243.21089	6.0
245.13728	3.6
259.20621	8.9
259.70041	2.3
261.22180	23.3
273.18509	3.0
277.21661	9.7
279.23294	3.5
281.13940	2.9
281.19028	3.5
283.15451	3.4
287.23727	7.7
297.22195	6.1
299.14926	33.2
299.20151	3.3
301.16486	4.4
313.21603	4.8
315.23318	11.9
317.24847	2.6
333.24164	3.9
335.25836	28.1
403.29941	4.8
421.31036	10.3
439.32275	6.8
449.30423	11.6
456.80112	2.7
457.32886	6.2
467.31662	19.3
485.32739	18.0
495.34766	3.2
513.35803	21.2
515.37134	6.0
519.36829	3.7
523.34100	3.0
527.37036	6.3
531.36847	23.0
541.35260	59.9
545.38007	6.5
559.36255	66.3
577.36932	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.2
54.79821	2.5
55.01871	9.7
55.05513	46.2
57.03444	8.7
57.07072	3.5
59.05027	3.6
60.46476	2.5
65.03934	3.4
65.16685	3.1
67.05507	86.3
69.03416	3.7
69.07068	25.7
71.05004	7.7
79.05067	5.3
79.05499	58.7
79.18147	2.5
81.03412	6.9
81.07063	100.0
83.04974	10.5
83.08614	27.9
85.06543	4.5
91.05482	56.8
93.07046	68.9
95.04971	10.2
95.08611	65.5
97.06541	7.8
97.10189	27.7
99.00811	10.1
99.08082	4.3
105.07043	53.5
107.04958	10.2
107.08602	49.2
109.02893	10.7
109.06514	6.6
109.10157	37.1
111.04461	4.2
111.08072	6.4
117.07015	13.3
119.08582	37.0
121.06509	6.7
121.10139	21.8
123.08070	4.5
123.11742	9.2
125.09626	25.0
128.06276	3.2
129.07014	10.4
131.08559	24.6
133.06476	3.0
133.10121	47.6
135.08055	5.8
135.11674	23.1
137.13274	3.4
141.06992	5.0
143.08578	11.5
145.06580	3.9
145.10147	21.4
147.11694	17.4
149.09644	3.5
149.13251	13.6
151.11186	9.5
153.12749	4.6
155.08578	6.2
157.10146	13.8
159.11681	19.1
161.09607	16.6
161.13278	10.2
163.11180	6.1
163.14877	8.8
169.10094	5.6
171.08058	7.6
171.11713	7.7
173.13240	17.9
175.14793	5.0
179.10724	4.9
181.12334	2.9
183.11688	7.8
185.13263	10.2
187.14851	10.5
189.09283	5.9
189.11186	13.4
189.12735	4.3
191.10718	5.1
195.11652	5.9
197.11644	3.6
197.13254	7.5
199.11041	2.9
199.14789	6.5
209.13322	4.2
211.14857	6.7
213.16423	5.1
223.14973	3.3
225.11176	14.3
227.12773	21.0
236.86203	2.8
237.16563	3.3
241.19682	3.1
243.12126	5.7
243.21158	6.0
255.75513	2.9
259.20578	8.8
261.22113	28.8
268.81729	2.9
277.21686	10.6
279.23279	5.9
281.13965	8.0
283.15555	5.8
287.23734	9.1
297.22211	3.2
299.14847	29.6
315.23267	15.2
317.24640	6.6
333.24432	3.9
335.25793	32.7
399.90417	3.2
403.29825	3.0
421.31195	10.0
435.32626	5.9
439.32086	4.5
449.30402	12.7
457.33173	5.5
467.31384	23.9
473.69055	3.8
485.32733	17.0
513.35577	21.7
515.37628	7.8
519.36487	3.8
523.34058	5.2
527.37067	10.0
531.36774	20.5
541.35278	64.5
545.38440	11.6
559.36194	81.9
577.37238	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	3.4
53.03937	9.4
55.01852	6.6
55.05516	40.1
57.03434	17.7
57.07067	7.4
63.88714	3.5
65.03939	5.1
67.05508	89.7
69.03429	7.8
69.07072	29.0
69.77795	15.3
71.04977	15.4
79.05497	65.5
81.03416	20.1
81.06594	5.7
81.07061	100.0
83.04964	9.0
83.08615	22.8
85.06538	7.5
86.05520	3.7
87.35558	3.6
87.52674	4.0
90.10670	3.8
91.05483	53.9
93.06483	5.2
93.07053	70.8
95.04954	14.3
95.08623	62.8
97.06539	8.4
97.10166	19.6
100.91100	4.1
105.07032	49.1
107.04937	6.3
107.08598	38.8
109.06535	8.9
109.10167	30.0
111.08062	7.1
117.07021	18.8
119.07838	3.4
119.08593	45.3
121.06535	4.4
121.10144	35.8
122.88974	3.3
123.08093	7.0
123.11686	11.5
125.09636	13.6
129.07004	12.0
131.08583	41.4
133.10133	33.1
135.08011	4.9
135.11691	21.0
137.13248	4.4
141.06940	4.9
143.08553	14.3
145.10147	29.1
147.08023	4.7
147.11707	21.3
149.09570	6.0
149.13258	10.4
155.08508	4.6
156.09402	5.0
157.10129	15.3
159.11685	16.4
161.09610	5.1
161.13286	12.8
163.11211	4.6
169.10155	10.0
171.11745	11.5
173.13263	14.5
181.10016	6.1
183.11670	9.3
185.13277	7.3
187.14886	7.2
189.11205	14.8
193.12228	14.8
195.11800	5.2
197.13177	4.9
199.14891	5.8
211.14842	5.5
219.17532	3.9
223.14879	3.9
227.12755	17.6
239.16380	8.3
243.21153	4.1
259.20456	5.8
261.22083	13.4
267.15839	26.1
285.22055	6.2
287.23593	5.6
289.21661	4.4
299.23654	4.7
301.25235	10.1
325.13156	4.2
335.25888	19.3
363.25278	6.4
417.31308	9.4
435.32608	11.5
453.33841	17.8
471.34637	9.3
509.36353	13.6
527.37274	69.1
545.38416	68.3
559.39227	14.0
577.38654	13.7
577.50525	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	578.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.1
55.01864	8.5
55.05516	24.3
57.03440	8.7
58.30200	4.2
61.02913	6.1
64.39482	3.0
65.03932	5.0
67.05508	87.9
69.03416	13.6
69.07064	16.1
71.04985	6.7
71.52747	4.3
79.05497	55.1
81.03418	30.3
81.06596	5.4
81.07059	100.0
83.04979	10.3
83.08622	15.7
85.02911	43.4
85.06522	4.8
87.00827	14.2
91.05482	41.8
93.07048	69.7
95.04952	15.5
95.08612	72.7
96.31892	3.3
97.02869	13.9
97.06535	10.9
97.10175	8.8
99.04458	5.0
105.01836	9.0
105.07050	31.1
105.37612	3.3
107.04930	7.0
107.08613	38.3
109.02884	14.1
109.06516	6.0
109.10181	44.1
111.04436	8.6
111.08104	6.3
111.11721	5.1
112.16917	4.2
117.07063	5.6
117.19670	3.5
119.08585	27.6
121.06490	6.0
121.10155	46.4
123.08060	4.6
123.11723	22.9
125.06011	7.3
127.03873	13.8
129.06976	6.9
131.08554	15.4
133.10121	29.0
135.08044	7.1
135.11736	27.7
137.09595	4.6
137.13266	19.0
139.07555	8.6
143.08568	6.8
145.05003	4.1
145.10132	13.3
147.11670	14.6
149.09624	5.8
149.13263	15.9
151.11211	4.3
151.14792	8.5
153.09084	3.6
157.08788	5.0
157.10100	7.3
159.02975	3.6
161.13251	7.4
163.11206	5.9
163.14821	9.7
167.10728	4.5
173.13290	4.5
175.11249	7.1
175.14784	6.9
177.31322	3.2
178.08626	3.6
179.10715	4.8
181.12224	9.2
185.13217	3.9
191.10664	3.7
193.12233	15.2
209.11696	7.3
211.13306	8.7
217.19510	39.5
221.15306	6.4
225.12183	3.8
235.20598	15.9
241.19635	8.1
259.20618	14.1
267.15958	15.7
277.21671	81.5
283.15433	8.0
285.16925	7.3
295.22714	80.7
299.14908	4.1
301.16357	5.0
341.43292	3.2
363.21765	3.6
385.23737	4.7
403.24741	5.7
462.78696	3.6
475.26556	11.2
493.27948	10.4
507.25937	6.8
511.28583	7.6
522.31866	3.5
543.33661	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	578.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01873	2.2
55.05268	1.1
55.05515	13.1
57.03440	8.9
57.07086	1.8
65.03935	1.7
67.05511	39.3
69.03436	1.4
69.07075	10.0
71.04988	2.3
73.02929	0.7
79.05498	32.0
81.03420	1.9
81.07063	39.1
83.04987	1.9
83.08625	6.3
85.06543	1.1
91.05481	12.0
93.07050	40.4
95.05010	5.2
95.08612	39.5
97.02884	2.4
97.06531	3.4
97.10182	1.8
99.04474	3.2
99.08094	0.9
105.07042	11.2
107.04979	5.1
107.08603	26.9
109.06513	2.2
109.10168	10.3
111.08086	1.8
113.05996	0.8
117.07023	6.9
119.08590	9.3
121.06468	3.7
121.10152	15.2
123.08007	0.8
123.11694	1.8
125.06010	1.9
129.07086	0.9
130.07816	0.8
131.08588	5.3
133.10136	4.5
134.09097	0.7
135.08070	2.0
135.11700	30.6
137.09637	0.9
137.13268	0.9
142.46326	0.6
143.08482	0.8
145.10139	19.3
145.26109	0.7
147.11676	2.0
149.13252	2.2
159.11694	2.1
161.13316	1.7
163.11197	34.2
163.14803	1.3
168.48283	0.7
173.09760	0.8
173.13292	1.8
181.12222	6.5
209.11813	1.1
227.12801	47.4
229.55844	0.6
243.21075	1.3
261.22153	5.6
283.15414	37.8
317.24683	1.0
335.25815	100.0
336.26346	1.1
431.75430	0.9
463.11230	0.8
528.37579	1.5
543.36835	56.4
546.38861	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2834
Annotation	6-Desacetylscilliroside
Peak:m/z	Relative Intensity
53.03940	3.0
53.21992	0.9
54.29131	0.9
55.01864	3.9
55.05507	8.8
57.03430	4.3
57.07068	3.5
63.68090	1.1
65.03935	2.1
67.05508	59.4
69.03423	4.1
69.07077	11.1
69.76086	6.3
71.04996	1.3
71.08630	1.6
73.02927	3.7
75.04456	1.2
79.05497	33.0
81.03420	4.6
81.07059	62.6
83.04996	1.5
83.08617	4.5
85.02914	2.7
85.06558	1.2
85.10259	1.1
91.05479	16.1
93.07050	42.6
95.04968	2.1
95.08613	52.3
97.02905	2.4
97.06536	2.9
97.10181	2.4
98.20719	1.3
98.98475	7.8
99.04462	2.8
99.08095	2.0
105.07037	15.6
107.08599	27.6
109.02885	7.3
109.06477	1.8
109.10163	26.8
110.03664	2.3
111.04429	2.7
111.08084	2.1
113.09615	1.4
117.07017	8.2
119.08581	13.9
121.10149	26.2
123.08068	2.2
123.11716	15.5
127.03918	2.1
131.08572	15.0
132.99518	2.1
133.10124	12.0
135.11702	23.4
137.09660	2.2
137.13269	6.2
139.11212	2.1
143.08537	1.6
145.10139	13.5
147.11682	10.7
149.13261	16.0
151.11185	1.9
151.14896	1.5
153.12704	2.0
155.01059	9.1
159.11703	14.3
161.13280	9.2
161.52411	1.0
163.14868	13.4
165.12808	2.0
167.14473	1.2
171.11674	1.9
173.13255	12.7
175.14847	3.8
177.12817	1.2
177.16394	5.9
179.14366	2.4
187.14806	8.3
191.00099	3.5
191.14299	1.9
196.66348	1.1
201.16394	3.0
205.15956	1.2
219.17325	1.0
233.22664	3.6
243.21094	26.5
261.22150	100.0
262.22437	1.0
263.23691	3.7
279.23151	4.2
283.58923	0.9
303.23221	2.0
335.25797	22.1
337.27255	6.4
351.23013	1.9
353.26898	91.1
369.24207	2.2
377.26898	1.4
389.26611	1.4
443.27734	2.0
451.21490	2.3
487.22961	1.4
543.26300	1.4
561.27448	9.3
579.28064	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	579.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01857	3.6
55.05513	8.9
57.03431	5.0
57.07089	5.5
57.07314	1.1
58.09976	1.1
61.02905	1.1
65.03943	1.3
66.02847	1.0
67.05508	61.5
67.43193	0.9
69.03402	2.9
69.07073	10.1
70.69952	2.2
70.70295	1.3
71.04960	2.0
71.08627	4.2
73.02904	3.0
75.04465	1.1
79.05496	39.2
81.03439	5.7
81.07059	72.5
83.04982	3.6
83.08617	6.8
83.53711	0.9
85.02891	4.1
85.06535	2.8
85.10197	1.2
91.05487	23.2
93.07050	56.1
95.05009	4.8
95.08610	60.6
97.02880	2.2
97.06522	3.6
97.10162	5.1
99.04449	2.0
99.08090	4.4
105.06398	1.9
105.07033	19.7
107.08600	36.1
109.02871	6.1
109.06509	2.9
109.10157	21.1
110.03663	2.5
111.04414	2.1
111.08069	2.4
113.09611	2.3
114.39899	1.1
117.07011	9.0
119.08595	14.3
121.10148	28.2
123.08041	1.9
123.11704	12.1
127.03879	2.9
129.06996	1.4
131.08572	21.7
133.10132	11.9
135.08107	1.6
135.11708	20.8
137.09581	1.8
137.13235	7.6
139.11166	2.1
143.08582	1.9
145.10133	15.4
147.11705	10.6
149.09639	1.9
149.13268	17.4
151.14853	1.9
153.12787	2.4
155.08650	1.0
157.99123	1.0
159.11688	10.5
161.13284	10.3
163.03883	1.2
163.11215	2.7
163.14838	15.4
171.11676	1.6
173.13257	13.9
175.14832	4.8
177.12724	1.6
177.16397	6.6
179.14326	2.2
185.13321	1.1
187.14835	10.6
191.00110	2.9
191.14339	1.6
201.16376	3.1
205.15892	1.8
215.17952	2.1
233.22652	6.0
243.21097	41.4
259.20718	1.1
261.22144	100.0
263.23523	2.5
277.21506	1.4
279.23212	5.0
303.23264	1.4
315.23111	1.0
328.20883	1.1
335.25824	22.6
353.26898	55.2
369.24298	1.8
377.26941	2.0
427.28073	1.3
433.20377	1.4
443.27832	2.8
451.21335	3.4
469.22617	1.6
487.23593	1.5
507.24249	1.4
525.24390	1.4
543.26251	1.8
561.27252	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	580.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93738	1.5
53.03947	5.1
55.01876	4.4
55.05524	15.1
57.03451	10.3
57.39014	1.4
57.55745	1.6
61.02917	1.5
65.57633	1.7
67.05509	25.2
68.66073	1.7
69.03435	5.6
69.07079	8.9
69.43338	4.5
69.43757	6.9
70.06561	1.8
71.05002	4.1
79.05502	22.0
81.02933	2.7
81.03419	49.8
81.07059	21.8
83.04972	6.9
83.08627	17.5
85.02906	4.1
85.06555	2.2
86.09718	3.0
91.05468	17.3
93.07043	18.6
95.04964	19.0
95.08616	9.0
97.06556	3.5
97.10154	12.4
105.07031	14.8
107.04974	17.7
107.08624	13.9
109.06525	11.3
109.10168	12.3
111.04453	1.7
111.08098	5.5
116.21852	1.7
117.03409	1.8
117.07021	5.2
119.08573	8.9
121.06499	11.4
121.10172	11.4
123.04476	2.6
123.08085	5.9
125.09650	12.4
127.03974	2.4
129.07013	5.8
131.04932	3.1
131.08568	10.8
133.06528	4.7
133.10136	6.6
135.08099	5.5
135.11688	3.1
137.09543	1.8
139.11221	2.3
142.07739	2.4
145.02795	2.2
145.06502	5.0
145.10123	6.6
147.04376	2.5
147.08070	6.3
147.11693	7.1
149.09653	6.7
153.09094	2.0
157.10126	8.0
159.08025	2.1
159.11627	2.0
163.11200	4.1
165.12662	1.8
167.08595	2.3
171.11751	3.2
173.11797	2.1
173.13237	2.0
175.11200	5.5
177.05573	4.0
184.07471	1.9
189.11252	4.8
191.14352	4.4
193.10619	2.4
193.12227	15.3
197.09628	1.8
199.11269	1.9
211.13271	1.8
219.13840	11.8
227.12767	2.3
229.14380	6.9
231.13696	2.4
233.15401	4.4
248.79112	2.2
259.15497	4.9
267.15933	39.9
273.14862	5.4
293.17389	7.2
317.16180	2.9
326.62384	1.8
339.23181	2.3
349.21680	6.1
356.95364	1.6
357.24326	3.2
367.22787	15.1
383.24326	3.9
385.23785	22.8
403.24866	9.8
441.26221	4.4
451.27133	2.1
459.27466	100.0
477.28555	84.0
477.35559	3.5
491.30124	7.4
495.29593	5.6
509.30740	2.1
562.32245	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01870	4.1
55.05277	2.2
55.05515	25.8
57.03444	16.3
57.07063	5.0
65.03939	3.3
67.05509	82.8
69.03416	6.0
69.06737	2.1
69.07075	31.2
70.07346	1.7
71.04985	6.0
71.08630	2.3
71.17806	2.6
73.02902	2.0
79.05498	48.3
81.03409	6.3
81.07062	84.3
83.04992	7.7
83.08153	1.8
83.08627	21.5
85.02877	1.4
85.06539	3.8
91.05486	35.8
93.07050	61.2
95.04971	14.1
95.08613	80.9
97.02873	2.8
97.06534	7.1
97.10159	6.3
99.04435	4.5
105.04492	2.4
105.07041	26.6
107.04963	9.3
107.08597	38.6
109.06521	9.8
109.10159	20.9
111.04426	2.7
111.08095	4.2
113.06013	3.5
117.07049	8.8
119.08585	21.9
121.06495	5.2
121.10146	25.3
123.08051	2.8
123.11725	8.2
125.06017	1.9
125.09568	2.0
127.07477	1.8
129.07013	7.3
131.08586	9.2
133.10139	16.8
135.08069	4.1
135.11699	49.4
137.09612	2.4
137.13266	3.6
142.07703	1.5
143.08560	2.6
145.09070	2.0
145.10144	27.7
147.11687	11.5
149.13252	5.7
151.11148	1.9
157.10144	4.6
159.11708	1.9
161.13322	3.7
163.11183	48.8
163.14848	2.2
173.13280	3.1
175.11189	5.7
175.14848	2.1
181.12215	7.1
187.14792	1.5
193.12209	4.8
209.11719	2.3
211.13304	4.9
227.10539	3.4
227.12796	69.5
245.22517	2.0
261.22128	6.1
263.23724	3.1
267.15918	3.6
283.15421	73.0
285.16974	51.1
335.25836	60.9
337.27383	100.0
503.37030	3.4
527.37482	2.1
530.39142	3.7
545.38409	97.8
580.39331	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72202	1.9
53.03936	4.3
55.01860	3.7
55.05516	20.3
57.03431	5.3
57.07074	9.9
61.63587	2.1
65.03938	5.1
67.05508	75.2
68.86013	2.1
69.03416	2.5
69.07071	30.6
69.54824	8.1
69.55248	5.6
71.04990	3.1
71.08620	6.5
73.02914	2.5
75.04482	1.9
75.85265	1.9
79.05498	25.3
81.03422	5.0
81.07058	100.0
83.04979	3.7
83.08624	24.8
85.02892	3.3
85.06558	2.8
85.10162	2.6
91.05490	25.0
93.07046	34.4
95.04991	2.3
95.08610	76.2
97.06527	8.1
97.10165	15.3
98.98481	3.6
99.08093	3.2
105.07031	23.7
107.08596	25.9
109.02856	5.0
109.06526	4.8
109.10155	45.0
110.03658	2.8
111.08060	4.2
111.11698	5.3
113.09669	3.1
117.07027	4.5
119.08581	23.8
120.18351	1.8
121.10146	34.4
123.08056	6.0
123.11727	20.7
125.09575	3.2
127.03923	3.3
131.08585	7.2
133.10127	28.1
135.08066	3.2
135.11700	15.0
137.09550	5.0
137.13243	6.8
139.11148	2.5
142.07768	2.2
143.08534	5.1
145.10129	5.1
147.08070	2.6
147.11679	14.2
149.09602	5.1
149.13251	10.5
151.07471	2.0
151.14793	5.5
154.94235	2.5
155.01089	4.3
155.08603	3.0
155.14354	3.8
157.10114	5.6
159.11720	4.1
161.13264	15.2
163.14841	13.7
165.16396	8.6
167.08543	2.4
167.10643	4.5
167.14243	2.5
169.10156	2.9
171.11646	4.1
172.95306	2.4
173.13268	4.3
175.14832	11.8
177.16432	3.9
179.08510	3.4
179.14333	3.3
179.17953	6.4
183.11621	2.8
185.13315	2.8
187.14810	2.9
189.16388	4.2
191.00131	3.8
195.11592	2.6
197.13226	3.2
203.18127	2.9
209.13268	2.8
213.16364	2.0
217.19606	2.3
245.22664	60.5
247.14703	2.5
263.23727	92.6
337.27383	56.0
339.28754	2.9
355.28244	7.9
386.77499	2.1
386.86917	2.1
521.21857	3.8
550.41260	2.2
563.28955	10.6
563.38171	4.9
581.23462	2.9
581.39941	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	581.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03970	2.9
55.01860	2.1
55.05520	9.1
55.16114	1.7
57.03428	2.7
57.07070	4.6
65.03944	2.9
67.03037	1.4
67.05511	14.1
69.03444	6.1
69.07092	9.6
71.53345	2.2
79.05506	17.4
81.03439	2.4
81.07061	22.5
83.04986	3.7
83.08637	9.1
85.06544	3.7
91.05481	24.3
93.07053	29.7
95.05001	9.5
95.08617	24.4
95.64116	1.4
97.06544	5.3
97.10197	2.2
98.98463	7.6
103.05437	2.4
105.07036	38.6
105.07696	2.8
107.04949	2.9
107.08593	25.0
108.87446	1.4
109.06541	7.3
109.10169	16.1
111.08140	2.6
113.09723	2.2
115.05486	2.8
117.07039	10.1
119.08589	34.6
119.09380	2.9
121.06536	5.9
121.10155	41.2
123.08064	12.9
123.11720	6.4
125.06000	2.0
125.09655	2.6
128.06238	4.6
129.07005	8.4
130.07800	3.0
131.08578	19.9
133.06509	2.9
133.10147	34.2
135.08099	7.1
135.11700	13.7
137.09648	7.4
139.07547	1.8
139.11177	2.4
141.06966	2.9
142.07820	8.4
143.08559	19.7
144.09322	3.8
145.10132	26.7
147.08037	10.5
147.11717	6.8
149.09583	11.2
151.07562	12.7
153.07024	2.3
153.09146	1.8
155.01056	9.0
155.08528	8.1
156.09283	7.6
157.10156	23.3
158.10915	3.4
159.08095	5.6
159.11711	15.0
161.09621	4.2
161.13309	3.7
163.11179	4.4
165.07054	3.7
165.09132	15.5
166.31277	1.7
167.08607	4.3
167.10706	30.5
168.09361	3.1
169.10143	13.7
170.10931	4.4
171.08041	2.7
171.11655	16.5
173.09659	3.8
173.13268	17.0
175.11203	1.8
175.14862	3.8
179.08636	5.9
180.09396	2.3
181.10184	6.7
181.12286	6.8
182.10960	4.9
183.11705	13.4
184.12587	1.8
185.09642	4.6
185.13226	8.0
187.11250	5.0
187.14775	9.7
189.12744	4.8
191.14378	2.8
192.09427	2.9
193.10260	3.7
194.11043	4.1
195.11705	10.8
196.12544	5.6
197.13289	9.4
199.11247	2.4
199.14880	4.3
201.16403	3.3
203.14363	6.7
205.10136	3.8
206.10956	4.7
207.11725	8.8
207.13766	4.0
209.13332	10.3
209.15096	2.5
210.13936	3.0
211.11255	3.4
211.14865	6.0
213.12790	3.3
213.16489	4.4
215.14322	3.8
217.10092	2.0
218.10948	2.1
219.11739	3.4
220.12576	4.7
221.13272	8.8
221.15430	31.6
222.14046	2.9
223.11121	2.3
223.14885	6.4
225.16504	3.2
229.10138	1.9
231.11734	3.1
232.12500	2.1
233.13272	4.4
233.15454	15.3
234.14000	2.9
235.14845	4.1
237.12842	3.1
237.16545	3.3
239.14420	2.4
239.17929	4.0
245.13344	3.2
246.14008	2.6
247.14815	3.8
247.17020	2.1
248.15778	1.8
249.16559	3.9
251.06285	1.8
251.18230	2.6
257.13028	1.8
259.14960	3.1
259.47012	1.8
261.16513	1.9
263.18063	3.2
265.19711	2.6
267.17599	1.9
271.07974	2.0
271.14764	2.2
273.16418	2.4
275.17804	1.9
277.19492	2.0
283.14801	2.8
287.17883	1.8
299.20148	2.4
302.58585	1.5
311.20316	2.5
312.20923	5.0
339.29010	6.9
341.55856	1.6
355.23956	1.9
371.23871	1.7
373.25339	5.5
393.24405	3.0
563.38806	13.1
581.25787	3.8
581.39899	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	5.0
54.19368	2.0
55.01871	7.1
55.62944	2.3
57.03446	5.1
61.02930	8.0
68.99796	3.9
69.03432	32.7
71.04992	5.1
71.51143	2.5
71.51556	2.8
73.02915	7.3
76.92830	2.1
77.09628	2.2
81.03431	25.6
85.02908	100.0
87.00835	39.3
91.05478	5.1
97.02901	33.0
99.04467	12.3
103.03945	3.9
105.01871	35.4
105.07052	6.6
109.02901	28.1
117.01830	2.9
119.04942	5.3
123.04488	2.8
127.03925	49.0
129.01869	4.4
131.04849	2.1
133.06477	7.6
137.05986	38.5
145.04967	24.7
147.04381	3.9
149.05904	3.7
151.07567	23.2
157.06506	5.3
159.02954	14.2
159.04099	2.5
161.05959	17.6
163.07532	2.5
165.05493	16.5
175.07573	9.7
179.07050	57.9
185.06009	4.5
186.61908	2.3
189.03961	21.2
191.07048	3.7
197.08061	3.5
199.07605	6.5
203.07053	20.9
213.03960	2.8
217.08557	5.4
217.50238	2.2
217.52339	2.4
221.08109	40.3
227.07051	6.1
231.04953	14.5
233.08180	3.6
245.08121	31.8
249.06125	4.9
263.09177	61.7
307.08237	2.3
346.48486	2.4
349.09271	23.0
367.10168	28.9
385.11411	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	582.304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
57.03453	0.4
58.06584	1.4
59.07383	1.2
60.08166	6.1
67.05513	1.0
69.78650	0.6
69.79069	0.3
71.07381	2.7
79.05495	0.4
81.03431	0.3
81.07054	0.3
86.09712	28.3
90.65939	0.2
91.05471	0.3
93.07030	0.2
95.08630	0.2
97.06537	0.2
98.98465	2.7
104.10752	5.4
109.10159	0.8
120.32136	0.2
121.10144	0.2
125.00011	18.3
138.30333	0.2
156.37306	0.2
184.07352	100.0
210.08937	0.6
237.26277	0.2
239.09250	0.7
258.11215	0.3
299.11356	0.3
311.60767	0.2
312.12033	0.3
324.47241	0.2
394.19952	0.8
412.21002	6.5
440.24039	0.5
484.23077	0.3
503.81638	0.2
564.29474	0.4
582.30194	7.3
583.29285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.05524	5.5
56.94802	1.2
57.07072	4.7
59.04988	1.7
63.77488	1.1
65.03934	2.8
67.05509	11.9
69.03444	5.8
69.07074	9.2
69.19399	12.2
71.04984	1.7
79.05496	16.8
79.11996	1.1
81.07066	24.7
83.04984	3.1
83.08630	3.5
85.06557	2.6
91.05479	27.9
93.07050	27.7
95.04974	40.1
95.08615	15.0
97.06551	2.4
97.10188	1.9
103.05489	2.9
105.07036	46.2
107.04946	2.0
107.08605	29.2
107.09315	2.2
109.06532	8.9
109.10162	10.9
115.05482	5.1
117.07033	17.8
118.65297	1.3
119.04944	1.8
119.08587	51.9
120.09397	2.3
121.06524	6.0
121.10146	30.7
122.07307	4.2
123.08070	13.5
123.11700	6.2
125.09661	1.3
128.06213	8.4
129.07008	15.1
130.07794	6.0
130.76044	1.1
131.08583	33.4
132.09390	2.1
133.06516	4.5
133.10136	22.7
134.07298	1.8
135.08064	13.9
135.10855	1.2
135.11678	7.4
137.09633	4.0
138.10390	2.8
141.07018	7.1
142.07777	15.1
143.08571	45.0
144.09378	6.3
145.06531	3.3
145.10132	46.8
146.07188	1.6
146.10910	2.3
147.08046	8.8
147.11691	13.2
148.08836	2.5
149.09593	8.2
149.13289	1.3
151.11137	1.7
153.07024	4.8
154.07823	2.6
155.08559	16.0
156.09364	15.8
157.06609	1.6
157.10136	38.7
158.07225	1.4
158.10919	10.6
159.08073	9.5
159.11705	20.5
160.08846	1.5
161.09633	13.1
161.13326	3.2
163.11235	2.5
165.06996	6.9
166.07826	4.7
167.08578	10.4
167.10658	9.9
168.09334	6.7
169.10132	24.7
170.10916	4.7
171.08084	4.2
171.11691	24.2
172.08815	2.5
172.12497	3.0
173.09634	12.7
173.13286	10.3
175.11211	4.2
175.14854	1.5
177.09245	1.8
178.07854	2.1
179.08568	9.5
180.09320	6.1
181.10149	18.6
182.10930	9.4
183.08134	2.4
183.11691	25.7
184.12523	2.7
185.09662	9.5
185.13200	9.9
186.10478	2.6
187.11192	10.5
187.14862	4.2
188.11974	5.7
189.09180	3.6
189.12715	9.7
191.08627	1.5
191.14255	7.1
192.09380	4.0
193.10167	12.3
194.10905	9.4
195.08090	2.8
195.11707	23.5
196.12540	6.6
197.09581	8.0
197.13257	18.8
198.10439	2.5
198.14049	3.2
199.11208	12.8
199.14833	6.9
200.11969	1.9
201.12791	5.3
203.08655	1.6
203.14357	3.3
204.09395	1.3
205.10175	3.3
206.10957	7.5
207.11717	17.0
208.12503	6.1
209.09799	2.9
209.13304	16.8
210.10434	3.1
210.14081	4.9
211.11197	10.8
211.14781	11.7
212.11974	3.0
212.15524	2.2
213.12724	6.6
213.16428	4.6
214.13533	2.7
215.14323	5.8
217.10175	3.1
217.12230	2.6
217.15977	4.3
218.10965	3.7
219.11768	5.2
220.12527	3.7
221.13246	11.2
222.14101	4.4
223.11293	5.1
223.14818	11.2
224.12041	2.2
224.15674	1.7
225.12756	12.0
225.16382	3.6
226.13544	1.5
227.14304	12.1
228.15166	1.4
229.10068	1.2
229.16014	2.4
230.10941	3.0
231.11722	3.4
231.13831	2.2
232.12492	4.1
233.13309	7.0
233.15390	3.1
234.14153	2.7
235.11275	2.1
235.14871	8.5
236.11894	1.5
236.15749	2.1
237.12787	5.2
237.16507	4.9
238.13470	1.6
238.17152	1.3
239.14409	5.1
239.18054	5.1
240.15201	2.3
241.15926	3.8
242.10794	1.3
243.11781	2.5
244.12488	2.7
245.13289	5.9
245.15453	3.1
246.14125	3.5
247.14801	8.1
248.12280	1.2
248.15633	2.6
249.12837	3.8
249.16472	5.4
250.17188	1.3
251.14438	4.7
251.18002	1.7
253.15825	6.5
255.17418	6.3
257.13177	1.8
257.15677	1.7
258.14169	1.7
259.14862	4.4
259.28372	1.3
260.15610	2.0
261.16345	6.7
263.14450	3.8
263.17831	2.1
264.15051	1.8
265.15939	4.9
265.19690	1.6
267.17557	2.1
270.14075	1.5
271.14487	1.5
271.17194	7.3
273.18524	55.9
275.14328	2.2
275.17935	2.8
277.15997	3.8
277.19427	2.9
279.17535	2.2
281.19000	1.7
285.16156	1.5
286.19406	4.5
289.15927	9.6
289.19171	2.1
291.17535	3.8
291.20886	2.2
293.19055	3.8
297.18637	2.5
299.17084	2.3
299.20099	21.8
300.20786	2.9
301.19525	2.8
303.17456	1.9
303.21060	2.1
305.19012	2.5
307.20657	1.6
309.22147	4.0
311.20102	2.6
315.17599	1.5
315.21234	2.3
317.19067	2.4
319.20499	7.5
325.21674	4.7
327.21021	1.5
329.22711	2.1
331.20563	1.5
333.22482	2.1
334.22986	3.6
337.21603	21.2
339.23248	2.0
345.22314	1.7
350.22479	2.7
351.23273	4.8
352.23987	100.0
353.24997	6.7
355.20789	1.3
357.22379	3.0
361.21777	1.8
363.23117	7.4
365.24921	10.3
373.25574	1.9
376.24130	5.4
387.22922	1.3
389.24969	2.5
401.28958	3.0
411.26862	2.7
429.28143	4.3
434.28265	6.9
443.29895	3.7
444.30231	39.5
445.31223	4.3
472.33499	2.3
480.33942	1.2
490.34509	21.4
521.37976	2.0
526.34351	1.7
539.39209	1.4
549.37134	2.1
564.39648	4.0
582.40631	86.2
583.41211	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	582.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.5
51.05153	1.3
53.03952	4.6
55.01883	1.9
55.05511	14.1
57.03424	4.4
57.07089	3.3
57.32369	1.5
59.05004	3.8
62.70054	1.8
65.03942	2.9
67.05510	44.5
69.03425	4.6
69.07072	19.0
70.18516	5.9
71.04990	9.5
78.55909	1.4
79.05063	2.8
79.05499	32.4
80.55665	1.4
81.07059	37.1
83.04991	4.4
83.08627	6.3
85.06547	3.4
86.85626	1.7
91.05486	34.6
93.07047	56.5
93.07646	3.1
94.77527	1.4
95.04972	42.6
95.08604	22.0
97.06535	5.3
103.05503	4.8
105.04511	2.4
105.07037	64.1
107.04971	1.8
107.08600	32.7
109.06540	9.6
109.10168	32.1
111.11704	2.1
115.05463	3.5
116.06230	2.6
117.07022	18.1
118.07832	2.2
119.04964	4.8
119.08585	65.7
121.06542	5.0
121.10146	54.3
123.08078	15.7
123.83649	1.6
128.06226	11.1
129.07022	13.6
130.07788	9.0
131.08569	36.9
132.09393	4.5
133.06538	10.8
133.10141	24.3
135.08087	8.7
135.11674	7.8
137.09644	7.5
138.10408	3.6
139.11177	3.3
141.07013	5.8
142.07758	12.8
143.08572	43.6
144.09343	5.8
144.12900	1.6
145.06467	3.6
145.10133	72.1
146.07265	4.8
146.10876	2.1
147.08044	10.3
147.11720	11.7
149.09637	14.2
149.13289	2.5
151.11185	1.6
153.07019	4.6
154.07747	4.6
155.08586	20.1
156.09380	17.0
157.10138	34.6
158.10921	7.0
159.08066	17.8
159.11728	14.8
161.09651	11.6
161.13260	4.1
163.11183	3.2
165.07002	5.5
166.07826	3.9
167.08582	10.7
167.10670	54.9
168.09389	7.1
169.10127	38.0
170.10869	7.3
171.08095	3.4
171.11707	22.7
172.12471	2.6
173.09673	8.2
173.11815	2.9
173.13208	13.4
174.10506	2.5
175.11182	3.8
175.14865	2.0
179.08600	10.2
180.09352	5.9
181.10144	21.3
182.10898	10.9
183.11697	27.5
184.12494	3.4
185.09636	9.0
185.13278	9.3
186.10406	3.6
187.11237	7.8
187.14883	3.1
189.12773	7.8
191.10672	1.7
191.14334	6.8
192.09392	3.7
193.10156	12.2
194.10876	8.3
195.08084	1.7
195.11705	20.5
196.08862	1.9
196.12531	7.7
197.09627	8.2
197.13269	17.9
198.13998	3.4
199.11183	12.8
199.14812	2.4
200.12013	3.0
201.12846	4.5
205.10092	3.6
206.10922	4.2
207.11684	14.2
208.12541	4.7
209.09607	2.4
209.13258	16.0
210.10461	2.2
210.13994	3.2
211.11310	7.3
211.14778	12.6
212.11946	2.1
213.12796	5.7
213.16498	2.7
214.13496	1.6
215.14360	5.5
217.10199	2.9
218.10954	2.1
219.11755	4.7
220.12494	4.7
220.14635	8.9
221.13342	13.6
221.15266	2.7
222.14034	3.5
223.11325	9.5
223.14769	12.6
224.15604	3.1
225.12836	9.4
225.16418	3.6
227.14310	2.9
229.10208	2.0
229.15947	1.9
231.11736	4.6
232.12648	1.9
233.13199	6.9
233.15422	28.1
234.14014	3.7
234.16219	4.4
235.14839	9.2
236.15752	1.8
237.12683	2.3
237.16473	3.9
239.18083	2.4
240.15154	2.5
244.12471	2.3
245.13228	3.2
246.13972	3.5
246.16280	2.9
247.14882	5.3
247.17116	2.1
249.12746	3.2
249.16446	6.1
251.14238	3.5
251.17940	3.3
253.15904	4.1
254.16812	1.7
257.13220	2.0
259.14767	5.2
259.17123	2.4
261.16391	4.7
262.17178	2.1
263.14594	4.0
263.17859	3.3
265.15915	7.6
269.13171	2.9
272.17749	2.0
273.18570	14.4
275.17978	2.8
277.16003	5.3
277.19550	3.2
279.17444	1.9
283.17126	2.1
286.19299	5.0
287.18530	5.6
289.15857	4.3
289.19122	1.6
291.17661	2.2
291.20959	2.1
297.18683	5.6
298.19385	10.0
299.20132	17.8
300.20886	3.3
303.21198	2.7
309.22281	2.9
310.19278	6.6
311.20151	6.2
312.21136	2.8
319.20612	2.6
321.18790	2.3
323.20184	3.5
325.21637	3.3
333.22287	2.4
335.20050	11.6
335.25818	12.2
337.21634	17.7
338.22498	2.7
345.22037	2.6
349.21722	5.7
350.22556	3.4
351.23270	10.8
352.23981	83.5
353.24646	3.5
363.23273	13.1
364.23914	4.3
365.24792	8.9
376.24054	2.7
389.24796	3.5
429.28003	4.9
434.28052	4.1
442.29141	1.8
443.29596	5.6
444.30283	35.5
457.30484	1.9
484.64191	1.6
489.35730	40.7
490.34488	10.8
501.54211	1.7
503.35632	4.3
515.36603	2.9
547.40265	17.6
549.37531	2.7
564.39532	2.4
582.40631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	13.8
57.07063	10.7
67.05493	16.7
69.03441	5.3
69.07081	26.3
71.44836	7.0
79.05496	18.1
81.07055	35.2
83.04967	6.5
83.08615	15.0
88.78849	3.6
91.05492	35.4
93.07050	52.7
95.04980	41.5
95.08611	36.3
97.06536	6.7
97.10149	3.7
103.05500	4.5
105.07038	67.1
107.04941	6.1
107.06712	3.4
107.08594	36.4
109.06523	11.5
109.10148	16.5
110.84414	3.1
115.05393	4.0
116.54148	3.6
117.07009	23.1
119.04934	5.1
119.08585	69.9
121.06520	7.3
121.10153	63.9
123.08095	22.0
123.11693	7.1
128.06224	11.9
129.06976	11.8
130.07777	7.6
131.08589	38.5
132.09384	4.2
133.06485	11.1
133.10132	21.4
135.08047	10.2
135.11690	31.4
137.09599	6.1
138.10378	6.0
139.11250	5.1
141.07004	8.5
142.07773	16.8
143.08582	45.5
144.09346	8.0
145.10136	75.8
147.08041	11.3
147.11693	17.4
149.09631	10.4
154.07683	5.0
155.08545	18.6
156.09346	16.7
157.10144	36.5
158.10895	8.0
159.08083	19.9
159.11633	16.9
161.09615	9.4
163.11182	21.8
165.07028	6.1
167.08588	9.5
167.10696	65.1
168.09340	8.1
169.10132	33.6
170.10876	8.3
171.08066	4.0
171.11659	25.1
173.09612	6.3
173.13278	13.3
175.11215	5.8
179.08420	8.1
180.09360	8.7
181.10135	19.8
181.12308	5.6
182.10883	11.9
183.08142	5.4
183.11726	18.9
184.12431	5.6
185.09581	8.3
185.13220	18.2
187.11166	4.0
189.12723	8.2
191.14290	8.1
193.10156	10.7
194.10854	8.4
195.11740	21.2
196.12462	5.9
197.09621	8.7
197.13310	17.4
199.11192	13.1
201.12733	8.8
205.10226	4.9
206.10933	7.7
207.11676	14.3
208.12425	4.4
209.13290	22.5
210.14003	7.4
211.11182	8.0
211.14775	15.9
213.12735	5.9
215.14308	8.2
219.11725	3.6
220.12486	6.3
220.14587	8.8
221.13220	12.2
221.15182	6.0
222.13989	4.6
223.11198	9.2
223.14867	13.8
225.12712	5.6
227.12689	25.2
233.13226	9.2
233.15366	30.3
235.10971	4.1
235.14824	8.2
237.12791	9.0
239.14282	4.6
246.13812	4.5
249.16310	6.3
251.14354	5.2
253.15941	7.8
254.16512	4.1
261.16409	6.8
265.15933	7.4
273.18478	14.9
275.17993	4.2
277.15869	4.7
283.15256	27.9
289.15677	4.9
298.19244	8.6
299.20032	20.2
309.22028	4.0
310.19214	4.3
311.20047	7.7
335.20013	10.8
337.21631	16.9
339.29007	43.1
349.21558	4.4
351.22995	8.8
352.23965	100.0
353.24692	7.8
363.23087	15.3
365.24683	9.6
374.27029	3.9
443.29547	5.1
444.30304	46.2
490.34259	17.2
503.35703	4.9
547.39972	40.3
582.40784	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34829	0.5
67.05501	0.8
69.07051	0.7
71.53102	0.8
79.05515	0.7
81.07074	0.7
87.62338	0.5
91.05466	1.3
93.07056	1.0
105.07041	1.0
107.08653	0.8
109.10152	0.9
119.08597	1.5
121.10215	0.6
130.06540	0.7
132.19113	0.6
133.10152	1.0
134.06027	0.6
145.10135	0.9
147.11658	0.6
158.09666	0.7
171.10451	0.8
171.11780	0.8
172.11201	0.7
187.14958	0.7
197.10774	0.9
203.09410	0.6
204.10281	1.4
208.10091	0.7
213.10234	1.8
216.10217	3.2
223.12325	1.1
230.11809	3.4
235.12360	0.8
236.11710	0.7
237.10359	0.7
245.10512	2.7
246.11473	0.9
250.09872	1.0
251.11879	4.0
252.14923	1.2
258.11261	1.3
263.11865	0.6
264.11334	0.8
265.12259	1.4
276.12164	0.8
278.12967	1.4
280.14484	7.3
283.10812	0.7
284.11450	0.8
292.14410	1.0
294.12463	1.0
296.14029	1.4
300.11487	0.6
301.11859	2.1
304.11780	14.3
306.15985	3.8
307.16803	1.4
314.13022	0.8
319.12869	3.8
327.13937	1.0
328.14551	1.3
330.16122	1.6
331.16489	0.7
340.14737	0.8
342.16290	3.0
343.12991	2.2
343.16461	1.1
344.17596	1.3
354.16086	0.8
356.17712	4.0
372.13443	0.9
373.14334	1.3
374.14993	4.7
374.18076	0.6
374.19064	1.0
386.15271	0.8
387.15762	3.2
388.16550	0.7
400.16141	0.9
402.18158	8.0
406.18906	0.6
407.18924	1.5
421.20660	0.9
423.22009	1.4
435.18207	1.0
436.18970	2.0
446.18829	0.6
451.21725	0.6
452.19360	0.7
462.22037	0.7
465.22791	0.8
481.22293	2.0
495.20078	1.0
508.20966	0.7
509.21808	2.3
553.21027	1.1
568.23102	3.3
583.25500	100.0
584.25964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.6
54.77325	2.6
55.01859	7.5
55.05512	24.8
57.03423	11.3
57.07067	2.6
59.04986	6.3
60.08154	3.4
61.02911	3.1
67.05511	79.3
69.03439	30.4
69.07069	13.2
69.18819	2.5
71.04975	9.0
71.52094	3.3
73.02900	3.1
79.05492	26.3
81.03423	86.7
81.07053	34.5
83.04980	15.0
83.08620	18.8
85.02916	45.9
85.06532	4.2
86.09690	12.4
87.00842	14.1
87.10027	3.5
91.05478	25.6
93.07036	21.9
95.04961	24.3
95.08598	18.7
97.02887	25.5
97.06540	8.9
97.10165	12.0
99.04441	11.8
104.10729	2.9
105.01862	12.6
105.07043	19.3
106.39272	2.5
107.04968	8.4
107.08584	15.0
109.02898	31.6
109.06519	5.1
109.10156	58.0
111.04422	11.2
111.08066	8.4
117.07019	9.3
119.08600	17.5
121.06496	3.9
121.10106	9.4
123.11678	3.8
125.00006	9.1
125.09605	7.4
127.03918	37.7
129.01823	2.8
129.07024	12.9
131.08572	19.8
133.06483	3.8
133.10100	9.1
135.08044	3.6
135.11746	6.7
137.05960	2.8
137.09665	4.0
142.07678	3.1
143.08559	12.3
145.04956	8.8
145.06358	2.6
145.10120	12.4
147.04387	2.7
147.11711	14.1
149.05946	2.7
155.08575	4.0
155.10713	2.7
157.06508	3.4
157.10181	14.2
159.02885	4.8
159.11751	6.5
161.05963	6.7
161.13290	5.6
163.11270	5.8
165.09093	4.9
165.12819	3.4
169.10194	2.9
171.11673	8.2
173.09618	3.0
173.11703	11.8
173.13255	7.8
175.07558	5.3
175.11153	10.7
183.11598	3.7
184.07355	47.6
185.07730	10.8
185.09489	2.7
185.13249	5.3
187.07597	3.5
187.11136	3.0
189.09113	7.9
189.11140	5.1
193.12234	20.6
195.11734	3.1
197.13190	4.1
199.11209	3.1
201.12572	3.3
203.10698	6.1
205.12288	3.3
211.13274	27.8
217.12344	4.1
225.16362	3.0
229.14427	18.3
231.05048	9.8
231.13611	3.2
235.13223	4.3
241.19382	2.9
246.95415	3.2
251.17947	5.8
253.19518	12.1
263.17810	2.7
267.15918	10.5
269.19040	9.3
271.16888	9.5
271.20560	7.1
273.14960	3.6
277.14328	3.9
281.19070	12.9
287.20065	2.9
299.14905	5.5
299.20071	80.5
309.16983	2.7
317.21082	18.8
335.21954	4.2
355.17419	9.9
373.18771	3.7
393.18988	3.4
403.24374	4.9
411.20261	4.0
421.25671	9.3
439.26996	13.6
458.37006	3.0
466.64511	3.2
505.27634	8.3
529.24469	10.5
547.25287	40.1
565.28546	11.8
583.31451	100.0
613.64594	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	583.3606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59221	0.4
55.05501	2.5
57.03437	1.0
67.05506	7.4
68.26285	0.5
69.07065	1.8
70.20399	0.5
71.04978	0.6
71.53732	1.0
74.55464	0.6
78.95393	0.6
79.05492	3.7
81.07058	7.1
83.08611	0.7
91.05463	3.2
93.07056	5.3
95.04977	1.3
95.08615	4.4
97.06508	0.8
105.07030	3.2
107.05022	0.5
107.08604	2.7
109.06560	0.5
109.10164	2.7
117.07030	1.2
119.08568	3.4
121.06512	0.6
121.10136	2.3
123.08067	0.5
123.11698	0.7
124.38832	0.5
129.06937	0.6
131.08530	1.5
133.10112	2.0
135.11722	1.4
138.49155	0.5
143.08586	1.3
145.10112	2.5
147.08185	0.7
147.11674	1.4
148.75826	0.5
157.10117	1.6
159.11659	0.8
163.11292	0.6
165.09254	0.7
167.08604	0.6
169.10147	0.6
171.11644	1.0
173.13307	0.7
175.14810	1.1
179.08485	0.7
181.10159	0.7
183.11726	0.8
185.13293	1.1
187.14781	0.8
195.11653	0.8
197.13126	1.0
214.80266	0.6
221.15428	1.5
249.10999	28.5
305.13663	2.9
335.25696	1.1
444.29614	0.7
491.35025	0.8
521.48010	0.6
531.08002	0.7
565.40546	0.7
583.35944	100.0
584.36530	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52462	3.9
54.36841	3.8
54.57599	3.5
54.98261	3.7
55.05513	13.4
57.03428	4.0
57.07074	8.1
67.05505	21.3
69.03439	7.0
69.07076	14.3
71.02582	7.3
79.05492	22.3
79.29665	4.2
81.07061	26.5
83.08657	4.2
85.06561	4.3
91.05484	31.9
93.07054	38.0
95.04987	11.7
95.08617	28.1
105.07030	52.7
107.08591	29.4
109.06527	6.3
109.10185	15.3
117.07032	11.2
119.08594	49.0
121.06557	4.2
121.10146	33.0
123.08081	18.9
123.11613	4.5
125.09635	6.2
126.65031	3.7
128.06242	3.9
129.07033	8.7
130.07776	4.8
131.08580	27.6
133.06383	4.2
133.10156	32.2
135.08067	9.0
135.11691	15.7
137.09605	12.9
141.06950	6.3
142.07785	17.2
143.08588	24.3
145.10130	33.9
147.08038	13.1
147.11682	11.8
149.09653	8.4
151.07559	11.2
152.70479	3.8
155.08589	9.0
156.09279	6.5
157.10156	23.7
159.11705	18.4
161.09555	8.2
165.06993	7.3
165.09163	18.6
167.08606	6.1
168.09387	6.1
169.10123	16.0
170.10869	8.8
171.11650	20.4
173.09674	6.5
173.13255	17.9
174.13658	4.7
175.14745	6.7
179.08653	7.2
181.10147	10.8
181.12292	5.6
182.10822	7.1
183.11670	13.8
185.13283	12.8
187.14835	5.9
189.12752	6.3
193.10199	7.0
194.10721	4.1
195.11682	9.7
196.12302	4.0
197.13313	14.0
199.11176	4.8
199.14836	5.2
203.14354	11.5
207.11736	9.4
207.13809	4.5
209.13240	17.4
211.14821	9.1
213.12721	4.7
221.13330	7.7
221.15344	37.5
223.14688	6.0
233.13168	7.2
235.14751	5.9
237.16481	7.1
245.13240	6.0
261.16495	5.8
283.20581	4.3
329.22745	4.7
347.23547	4.4
375.26849	5.3
403.30231	6.1
500.67578	4.5
522.38318	4.0
530.39575	4.9
565.40387	26.3
583.41339	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
51.05395	1.2
53.03935	3.3
55.05310	1.0
55.05511	11.1
57.07090	6.8
59.05003	2.2
65.03919	2.9
67.05178	1.9
67.05509	20.6
69.03448	6.2
69.06789	1.1
69.07073	13.2
73.25381	1.1
77.03934	2.1
79.05495	20.3
81.06593	1.5
81.07061	29.7
83.04984	4.7
83.08633	7.0
85.06526	5.0
91.05489	33.8
93.07051	49.4
95.02407	1.0
95.04997	6.7
95.08611	29.8
97.06534	4.4
97.10191	1.1
103.05445	1.8
105.07039	57.6
107.08602	31.7
109.06513	5.9
109.10165	15.6
111.08089	2.7
115.05456	4.0
117.07009	12.8
119.08590	55.3
121.06511	4.2
121.10150	33.7
123.08070	15.3
123.11710	4.8
125.05989	2.6
125.09615	2.6
128.06250	7.5
129.07014	14.1
130.07777	5.6
131.08585	26.7
133.06488	2.3
133.10147	26.7
135.08060	9.9
135.11707	9.5
137.09618	11.9
139.11189	1.9
141.07030	3.9
142.07779	18.4
143.08572	29.1
144.09335	4.3
145.10132	39.4
147.08066	15.5
147.11700	11.6
149.09618	4.3
149.13258	1.6
151.07573	12.9
151.11208	1.8
152.06145	1.3
153.07040	3.4
154.07770	2.7
155.08585	13.3
156.09366	14.3
157.10136	38.2
158.10902	5.3
159.08113	3.2
159.11705	18.7
161.09659	4.8
161.13301	5.1
163.11221	6.6
165.07033	5.4
165.09106	28.5
166.07738	2.9
167.08563	7.5
167.10666	8.5
168.09344	5.3
169.10136	19.7
170.10941	7.6
171.08017	1.8
171.11696	23.3
172.08910	1.5
173.09622	3.4
173.13277	15.4
175.11235	2.7
175.14784	6.5
177.09161	1.7
178.07869	1.6
179.08585	13.1
180.09361	6.1
181.10118	12.0
181.12251	4.5
182.10915	7.8
183.11714	20.7
184.12482	3.1
185.09619	2.2
185.13261	12.2
187.11212	2.5
187.14845	4.1
189.12730	7.1
191.14290	5.6
192.09370	3.5
193.10149	10.6
194.10936	8.6
195.11739	15.2
196.12500	4.1
197.13261	19.7
199.11218	2.2
199.14807	11.0
201.12726	1.5
201.16428	2.9
203.14313	13.5
204.94807	1.1
205.10149	4.0
205.15860	1.7
206.10959	5.1
207.11736	14.1
207.13858	7.1
208.12489	6.5
209.13283	21.4
209.15129	1.1
210.13979	2.2
211.14787	9.1
213.12784	2.1
213.16399	3.2
217.10187	2.8
217.15833	6.3
218.11066	1.6
219.11699	6.5
220.12402	5.5
221.13258	12.6
221.15414	52.3
222.14047	3.4
223.14781	9.8
224.15564	2.7
225.16446	3.9
227.14368	2.6
229.10117	1.2
229.15926	2.6
230.11063	1.9
231.11629	4.3
231.13745	1.8
231.17372	2.0
232.12492	3.4
233.13271	8.4
233.15463	3.9
234.14171	2.4
235.14772	7.4
236.15523	2.5
237.12770	1.9
237.16403	5.8
239.14407	1.6
239.17955	3.1
241.10251	1.4
241.15950	1.9
243.11749	2.5
244.12578	1.5
245.13322	5.1
246.13997	3.2
247.14796	5.7
247.17032	1.5
248.15540	2.3
249.16460	7.3
249.18683	1.1
250.17194	1.4
251.17908	2.6
253.19592	2.8
255.13980	1.5
255.17351	2.8
257.13266	3.3
257.19000	7.2
258.14139	1.4
259.14929	4.3
260.15634	3.3
261.16333	5.8
262.17215	1.9
263.17978	4.2
265.19583	7.0
269.19125	3.1
271.14847	2.6
271.20639	2.1
272.15710	2.2
273.16443	3.8
275.17776	8.0
277.15744	1.4
277.19604	2.9
279.21054	2.1
281.18948	2.1
283.20547	10.6
285.16174	1.6
286.19418	2.0
287.20193	3.4
289.19507	2.8
291.21063	2.2
295.20584	3.5
297.16510	1.5
297.22147	3.6
298.17136	1.3
300.20914	1.8
307.20541	1.6
311.20285	1.5
316.21875	1.6
323.43414	1.2
331.24207	3.5
335.23615	1.3
348.24591	1.6
349.25302	5.0
352.24039	2.5
357.25766	1.5
365.24786	2.9
375.26941	6.0
385.28952	1.6
403.29922	8.1
488.32394	1.2
491.35193	3.6
503.35315	5.8
509.33899	1.3
543.29242	1.2
547.39258	4.2
565.40485	22.5
583.41443	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03945	4.5
55.01869	1.9
55.05297	1.3
55.05515	12.6
57.07083	7.5
59.04994	4.0
65.03937	4.5
65.96941	1.2
67.05506	22.3
69.03436	6.6
69.07075	17.5
69.76416	5.4
79.05502	24.1
81.07064	26.7
83.04982	6.2
83.08626	8.2
85.06552	5.5
85.41221	1.3
90.85316	1.3
91.05487	41.1
93.07054	45.4
95.04993	7.4
95.08610	27.0
97.06512	4.4
98.21486	2.6
103.05448	2.8
103.58683	1.3
105.07040	64.1
107.04942	2.0
107.08601	41.4
107.09311	2.6
109.06538	9.6
109.10172	18.5
111.08080	1.7
113.09689	1.2
115.05477	3.9
116.06267	3.0
117.07024	14.0
119.06104	2.2
119.08588	70.4
121.06517	3.8
121.10155	40.7
123.08070	13.8
123.11726	5.8
125.06010	4.3
125.09628	1.4
128.06229	10.9
129.07010	16.6
130.07800	5.3
130.99460	1.2
131.08583	29.4
132.09377	1.4
133.06584	1.7
133.10141	32.9
133.11108	2.6
135.08049	10.2
135.11691	12.4
137.09662	11.1
139.11217	1.9
141.07004	8.5
142.07787	20.4
142.08807	1.9
143.08572	32.9
144.09369	7.0
145.10126	41.5
147.08046	11.9
147.11711	11.5
149.09641	5.1
149.13252	3.0
151.07545	10.7
151.11212	1.8
153.07004	4.5
153.09200	2.4
154.07808	2.1
155.08580	17.1
156.09355	12.4
157.10143	46.5
158.10896	7.3
159.08099	4.4
159.11716	22.4
161.09660	5.3
161.13220	7.1
163.11171	7.3
165.06985	6.9
165.09123	26.7
166.07784	3.8
167.08620	10.4
167.10715	10.0
168.09343	6.6
169.10153	24.6
170.10905	7.8
171.11684	29.1
173.09624	3.5
173.13283	18.3
175.11241	2.5
175.14821	7.7
177.12802	2.1
178.07851	1.6
179.08562	15.2
180.09375	6.5
181.10127	14.3
181.12219	6.7
182.10965	8.9
183.11703	27.6
184.12531	4.6
185.09651	2.1
185.13252	17.2
187.11229	2.5
187.14842	6.7
189.12770	5.1
191.14337	9.9
192.09409	5.2
193.10141	14.3
194.10915	10.0
195.11700	21.7
196.12491	6.3
197.13255	17.9
197.62442	1.2
198.14180	1.9
199.11166	2.7
199.14867	15.4
201.12743	1.7
201.16406	3.1
203.14333	11.0
204.09309	2.0
205.10150	4.6
206.10945	8.3
207.11763	16.6
207.13814	5.7
208.12494	6.0
209.13277	24.4
209.15147	1.9
210.14098	4.5
211.14865	11.5
213.12744	1.9
213.16399	3.4
215.14380	1.4
217.10159	3.0
217.15849	9.0
218.11041	3.9
219.11714	7.5
220.12538	5.5
221.13297	16.3
221.15437	52.0
222.14020	3.5
223.14841	15.4
225.16409	5.4
227.14447	2.9
229.15894	1.7
230.10977	2.4
231.11732	5.4
231.17520	3.3
232.12570	3.3
233.13277	10.1
233.15454	3.4
234.14055	3.1
234.29854	1.5
235.14816	11.5
235.16901	2.2
236.15651	2.5
237.16333	7.3
239.17999	4.8
243.11803	2.3
244.12556	2.5
245.13307	8.0
246.14023	5.4
247.14893	10.0
247.17096	2.4
248.15639	2.6
249.16454	10.1
250.17261	3.2
251.18040	3.3
253.15782	1.5
253.19583	2.6
257.13229	2.3
257.19040	8.3
258.13998	2.2
259.14911	6.4
260.15692	3.6
261.16403	9.1
262.17401	2.0
263.18027	6.7
265.19543	6.4
269.13135	1.6
269.19086	3.8
271.20566	1.9
272.15640	2.0
273.16376	4.9
275.17871	9.1
277.19562	4.2
279.17776	1.5
279.21216	2.1
281.19012	2.6
283.20572	16.0
285.16321	2.0
286.19339	2.2
287.20258	3.5
288.18768	2.0
289.19565	4.7
291.21011	3.5
293.19028	2.6
295.20657	3.8
297.22241	4.6
299.17526	1.6
299.20416	1.8
301.19373	2.8
303.21130	2.9
307.20480	2.9
309.22449	1.9
312.20932	1.9
315.21085	3.1
317.22754	2.9
321.22189	1.3
329.22714	1.7
331.20673	1.5
331.24393	5.2
333.22153	1.5
335.23676	2.4
347.23602	1.4
349.25391	6.6
352.23926	2.0
357.26123	2.7
361.25500	1.7
365.24817	2.6
368.71765	1.5
373.25156	1.8
375.26962	5.4
403.30215	2.2
427.30188	1.6
491.35388	5.8
503.35046	5.0
509.21027	1.4
509.34326	2.6
547.39459	4.3
565.40509	20.5
583.41486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.3
53.03946	5.2
54.37496	1.3
55.05506	10.6
57.07084	7.6
59.04998	3.9
62.50439	1.4
65.03945	3.5
66.38493	1.6
67.05507	18.6
69.03423	6.0
69.07074	15.6
69.22972	2.5
69.23373	9.1
75.89542	1.3
77.03931	1.9
79.05500	19.9
81.07064	24.1
83.04980	5.4
83.08636	6.9
85.06554	4.8
87.04501	1.6
91.05487	33.4
93.07050	39.9
95.04968	7.9
95.08613	25.7
97.06530	5.2
97.10161	1.5
98.20721	2.4
102.65919	1.2
103.05488	3.4
105.04521	2.9
105.07037	52.0
107.08603	43.4
107.59624	1.1
109.06556	7.0
109.10152	17.9
111.08101	2.8
115.05453	4.8
116.06261	1.8
117.07022	12.7
119.08588	62.0
121.06512	2.9
121.10152	44.8
123.08079	11.4
123.11732	5.0
125.06004	2.0
125.09621	2.9
128.06239	6.6
129.07019	15.0
130.07813	5.8
131.08577	25.6
131.09529	1.9
133.06531	2.9
133.10136	36.0
135.08057	5.9
135.11682	12.0
135.50023	1.5
137.09619	8.4
141.07001	8.9
142.07791	16.3
143.08569	28.8
144.09338	4.7
145.06537	1.4
145.10123	43.0
147.08078	7.3
147.11693	10.6
149.09633	7.2
149.13281	2.7
151.07552	10.5
151.11253	1.9
153.06963	3.4
153.12732	1.5
154.07802	3.3
155.08562	13.2
155.10655	2.1
156.09343	15.6
157.10147	35.5
158.10872	6.9
159.08072	5.7
159.11688	22.0
160.08885	1.6
161.09663	4.6
161.13289	4.7
163.11215	4.0
165.07031	5.1
165.09113	14.0
166.07806	1.6
167.08580	9.3
167.10684	19.3
168.09387	5.5
169.10141	21.2
170.10909	8.3
171.11702	25.0
173.09549	3.1
173.13280	17.2
175.11188	3.1
175.14851	9.6
177.09146	1.3
179.08560	12.4
180.09348	5.0
181.10164	13.5
181.12271	5.9
182.10922	7.4
183.11707	20.1
184.12488	4.3
185.09677	2.6
185.13278	13.6
186.14194	1.5
187.11249	2.2
187.14815	6.9
189.12735	7.2
191.14256	6.6
192.09354	3.4
193.10234	10.5
193.11984	1.8
194.10912	9.4
195.11729	18.4
196.12498	5.4
197.13278	16.4
198.14011	1.5
199.11143	2.2
199.14827	9.9
201.12747	2.8
201.16374	3.4
203.14328	6.0
205.10159	5.1
205.15924	1.5
206.10960	5.3
207.11740	14.5
207.13847	5.5
208.12497	5.7
209.09918	1.3
209.13287	20.7
210.14015	2.6
211.14790	10.4
213.12631	1.4
213.16451	5.2
215.14391	2.6
217.15981	5.0
218.10933	2.0
219.11783	4.4
220.12564	4.2
221.13300	15.4
221.15428	26.7
222.13998	2.4
223.14839	12.1
225.16444	4.6
227.14229	2.3
229.15840	2.1
230.10800	1.7
231.11726	4.2
231.17569	2.9
232.12511	2.6
233.13277	8.7
233.15454	8.0
234.14059	3.5
235.14799	8.2
236.15541	1.4
237.12761	1.7
237.16476	8.1
239.14362	1.8
239.18033	4.1
243.11623	3.1
244.12560	2.2
245.13277	6.0
246.14168	4.8
247.14867	8.6
247.16916	2.5
248.15681	2.7
249.16377	7.0
251.17990	3.9
253.19606	2.7
255.17551	2.2
257.13345	2.5
257.19052	4.1
258.14111	1.8
259.14920	4.1
260.15625	4.3
261.16296	6.2
262.17062	1.6
263.18005	5.7
265.19556	4.5
269.19067	5.6
271.14606	2.0
272.15610	1.6
273.16452	4.4
274.17188	1.8
275.15195	1.5
275.17752	7.3
277.19647	5.0
279.17447	2.8
281.19107	2.6
283.20551	8.0
289.19528	2.5
293.19034	2.1
295.20612	3.3
301.15314	1.3
301.19247	2.8
303.21161	2.5
307.20737	2.1
313.19089	1.6
315.21155	1.9
317.23013	1.5
327.21127	1.9
329.22775	2.3
331.24286	4.0
333.22235	2.2
335.23779	2.7
341.83517	1.4
343.24435	2.0
347.23712	2.0
349.25204	4.9
354.48679	1.5
357.25882	2.1
361.25317	2.1
363.27072	1.6
365.24704	1.7
375.27072	5.1
403.30048	5.2
491.34448	2.6
503.35272	2.1
509.34525	2.3
547.39368	3.1
565.40442	19.5
583.41455	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78965	1.7
60.08150	6.4
63.90462	1.5
67.05502	6.4
70.06577	5.3
70.91353	3.5
71.07350	4.0
74.04706	1.7
74.31856	1.8
77.10703	1.6
79.78240	1.7
81.03410	1.9
85.02930	1.8
86.09714	31.4
88.07610	5.8
90.81025	1.9
91.05466	1.8
93.07082	1.9
97.06523	1.7
99.27908	1.5
102.09249	1.9
104.10745	4.8
105.07029	1.9
106.08652	3.1
109.10180	3.1
109.92266	1.8
125.00014	22.2
173.71257	1.6
175.04053	1.7
184.07350	100.0
256.26270	3.3
263.23135	1.8
274.27414	80.9
412.20926	5.4
421.25922	2.3
537.55426	2.0
562.28772	2.2
565.64917	2.0
583.24036	2.9
583.31000	4.5
584.31470	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	584.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89920	1.1
55.01883	2.1
57.07072	1.0
58.99584	1.1
61.01168	1.5
71.06119	9.5
71.51245	0.8
72.04512	3.7
74.00655	2.5
76.02226	1.4
76.03999	1.8
77.00645	7.6
78.03793	2.8
83.06089	1.5
84.04514	6.7
85.04023	4.8
85.06545	1.1
86.00687	1.7
86.06097	1.9
90.08786	1.0
91.53923	0.8
92.01698	1.5
92.98330	3.8
95.04993	1.0
98.06064	1.8
99.05598	1.8
101.01736	0.9
102.03783	4.6
109.07623	2.8
110.00964	2.6
112.04023	1.4
113.03517	3.1
113.06078	1.3
114.03780	2.2
118.03246	25.0
120.04832	2.0
124.07633	1.1
127.60151	0.8
129.06570	1.9
129.89098	0.9
130.03239	8.6
130.05005	7.1
131.02750	1.0
131.04529	12.6
131.06389	3.3
132.04808	3.7
134.00896	2.4
135.05469	0.9
137.06075	1.0
139.03291	1.9
140.01617	1.1
142.08693	4.8
142.31828	0.8
145.06079	1.9
147.05878	54.4
149.07458	17.4
150.00395	1.8
153.06577	2.6
155.08163	3.2
159.00871	0.9
159.02235	2.7
163.03859	1.0
164.01874	1.4
176.01936	1.5
177.03308	24.6
181.04655	7.1
181.06160	3.2
182.51854	0.9
183.11095	1.1
184.09689	2.9
185.03799	14.8
199.07195	3.6
205.04646	2.5
207.98312	0.9
209.00525	3.5
210.08977	0.9
231.04361	29.9
231.06596	2.0
251.87122	1.0
254.06302	2.2
256.09314	1.8
257.07608	1.1
288.06451	4.9
293.09967	2.2
308.07343	3.3
325.10007	100.0
379.11234	4.3
391.10870	1.1
436.13324	6.8
437.15457	7.5
454.14297	34.7
455.16217	1.9
509.17163	2.8
566.19733	9.6
584.20349	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	584.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.6
58.06602	1.1
59.07380	0.6
60.07898	0.4
60.08170	6.2
67.05502	1.1
71.07375	2.5
71.53433	0.5
81.03415	0.3
81.07070	0.3
83.04905	0.3
86.09709	29.2
88.07630	0.4
96.43215	0.3
98.98470	2.7
104.10748	4.3
109.10136	0.4
125.00008	20.0
184.07349	100.0
198.60010	0.3
216.48532	0.4
242.70372	0.4
258.10910	0.5
274.27377	2.1
275.27725	1.0
359.43576	0.3
394.19687	0.6
412.21008	4.5
584.32117	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	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.05508	15.3
57.07083	13.4
59.05005	4.3
65.03932	3.1
67.05508	24.5
69.03436	5.4
69.07073	18.6
70.06562	2.5
71.08636	2.8
77.03918	3.6
79.05492	29.8
81.07059	43.5
83.04976	3.9
83.08614	9.0
85.06548	7.6
89.06028	2.8
91.05482	49.7
91.06026	3.6
93.07050	69.0
94.07366	4.6
95.04973	11.2
95.08613	45.2
97.06550	6.8
97.10154	2.8
98.20734	5.3
99.01865	2.1
103.05456	6.0
105.07040	93.7
106.07405	2.8
107.04939	4.4
107.08596	54.3
109.06520	8.6
109.10160	29.6
111.08096	4.9
115.05460	5.4
117.07030	20.4
119.08588	97.9
121.06499	5.0
121.10149	48.6
122.10501	4.4
123.08069	15.1
123.11684	10.5
125.09615	3.7
128.06245	8.6
129.06981	16.6
129.83836	2.4
130.07777	7.8
131.08588	44.2
132.09303	2.0
133.06525	2.4
133.10136	62.1
134.10535	2.8
135.08058	13.2
135.11710	20.3
137.09641	10.2
139.11180	2.8
141.06973	10.6
142.07805	16.8
143.08569	46.7
144.09380	10.2
145.06638	2.6
145.10138	72.2
147.08075	13.3
147.11699	26.6
148.08435	3.9
149.09608	11.9
149.13229	2.2
151.07596	8.0
151.11191	2.2
153.07001	5.5
154.07779	3.0
155.08553	14.4
156.09364	16.8
157.10146	52.3
158.10834	8.2
159.08060	16.3
159.11707	38.1
161.09613	11.2
161.13216	13.3
163.11192	3.6
165.06993	5.4
165.09117	15.3
166.07861	5.0
166.09444	5.3
167.08601	9.7
167.10687	3.4
168.09361	7.6
169.10133	28.4
170.10947	13.0
171.11714	27.5
172.12257	4.6
173.09729	3.6
173.13289	27.6
175.11237	6.7
175.14830	18.3
177.12816	3.6
179.08578	9.8
179.10576	3.0
180.09337	5.3
181.10159	18.7
182.10823	8.8
183.11707	31.1
184.12297	4.7
185.13219	21.8
186.13977	3.5
187.11143	4.4
187.14751	13.2
189.12819	6.4
189.16354	3.0
191.14351	5.6
192.09366	3.2
193.10152	15.2
193.16028	3.3
194.10915	10.5
195.11711	25.3
196.12425	8.7
197.13277	23.1
198.13930	5.0
199.11237	3.2
199.14850	12.9
201.12784	6.4
201.16443	6.9
203.14258	12.3
204.14690	3.5
205.10075	3.2
206.10966	7.2
207.11682	13.2
207.13603	3.1
208.12373	7.2
208.14296	2.2
209.13268	28.6
210.13905	5.5
211.11235	4.7
211.14857	18.0
212.15331	2.9
213.12810	3.9
213.16452	6.3
217.15976	2.4
218.16750	4.2
219.11646	5.2
220.12469	5.2
221.13266	11.4
221.15457	22.2
222.13849	5.3
222.15793	12.3
223.14842	18.0
224.15329	3.8
225.12883	3.9
225.16457	14.5
226.17188	2.7
227.14424	5.4
227.17949	2.7
231.11685	2.6
233.13268	6.6
233.15456	11.6
235.14809	8.5
236.15492	3.3
237.16406	8.0
239.17993	4.9
241.15910	3.8
241.19420	2.8
242.16696	2.7
245.13435	2.5
247.14822	7.9
248.15448	3.5
249.16483	6.6
251.17989	7.7
255.17427	15.2
257.19052	6.0
259.14856	4.0
259.20416	2.6
260.15445	3.2
261.16470	6.7
265.19614	5.0
269.18893	3.5
270.19675	4.1
275.20200	2.9
281.18994	2.5
283.20520	5.4
287.17941	2.6
297.18890	3.3
297.22247	6.8
303.21167	2.9
309.22028	3.1
311.23462	2.7
311.29459	7.2
354.25757	2.4
360.24597	2.8
363.26904	6.5
376.27310	2.8
403.30106	7.7
404.30508	3.2
492.35825	5.9
495.43982	2.3
504.35880	3.1
541.40540	9.7
551.38464	3.0
566.40710	25.8
584.41931	100.0
584.55621	19.0
585.23578	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	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80203	4.1
55.05502	10.6
57.03431	4.6
57.07068	18.2
57.82086	3.9
67.05506	25.7
69.03408	4.7
69.07060	16.9
71.08639	8.8
71.52847	4.2
79.05492	24.7
81.03450	5.6
81.07054	30.6
83.05000	9.9
83.08627	14.5
85.06525	8.5
87.04507	4.4
89.06048	30.3
91.05486	34.6
93.07052	41.3
95.04971	18.7
95.08623	43.5
95.12622	4.3
97.06538	6.5
105.07030	52.5
107.04958	6.5
107.08612	39.6
109.06532	10.3
109.10150	15.6
113.09710	4.7
117.07034	12.1
119.08594	73.0
121.10155	33.8
123.08085	10.3
123.11745	8.7
128.06215	5.9
129.07013	14.8
131.08603	32.2
133.08580	21.7
133.10133	32.5
134.10526	6.0
135.08070	11.2
135.11725	17.2
137.09631	10.4
142.07755	13.5
143.08577	23.1
144.09253	5.4
145.10129	56.3
147.08055	15.4
147.11710	14.5
149.09627	7.5
151.07538	6.6
155.08598	11.6
156.09338	13.4
157.10156	48.9
158.10857	9.5
159.11700	28.2
161.09718	7.4
161.13208	5.5
163.11217	22.6
165.09152	23.1
167.08458	4.7
167.10704	6.2
169.10178	11.6
170.10674	13.1
171.11755	27.0
172.12447	8.5
173.13289	12.3
175.11189	8.2
175.14804	11.7
177.11246	11.2
178.38840	4.3
179.08632	7.7
180.09242	4.8
181.10146	8.4
181.12241	11.9
182.10927	9.6
183.11697	17.2
185.13275	18.3
187.14838	7.4
189.12744	7.1
193.10254	5.9
193.12245	5.3
195.11696	17.8
196.12424	6.5
197.13219	22.3
199.14912	5.9
203.14337	19.6
208.12619	6.9
209.13232	14.9
210.13814	6.9
211.14783	4.9
212.13474	4.5
212.71674	4.2
217.15868	6.5
219.11725	5.7
219.13846	6.4
221.13443	8.4
221.15376	44.4
223.14821	10.5
227.12810	18.0
233.13280	6.7
235.14784	6.9
247.16933	6.1
249.16249	6.0
299.20129	8.2
311.14810	26.7
311.29453	9.4
325.21677	7.6
341.26828	12.8
352.24121	50.4
365.24698	9.5
371.22803	17.9
412.29736	12.4
428.59506	5.1
438.31189	12.0
491.34976	13.2
492.35660	9.6
504.36038	100.0
549.40106	6.0
584.41846	44.1
584.55957	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	585.2358
Annotation	Magnesium protoporphyrin
Peak:m/z	Relative Intensity
53.03936	3.3
55.05291	1.7
55.05516	13.9
57.07071	4.8
57.72679	1.5
58.07382	1.7
58.63150	1.3
67.05495	11.6
69.03434	2.3
69.07073	9.6
69.21127	2.9
69.21539	11.4
79.05489	13.1
81.03414	2.2
81.07050	19.9
82.07397	2.3
83.04998	1.7
83.08621	4.3
85.06552	2.8
89.06041	1.6
91.05482	20.5
92.05826	1.6
93.07050	21.6
94.07368	2.8
95.04971	4.2
95.08595	12.1
97.06536	4.0
97.10175	3.7
103.05461	1.5
103.72571	1.7
105.07033	29.3
106.07359	4.5
107.04981	3.8
107.08592	17.3
108.08955	2.0
109.06519	4.5
109.10161	8.5
117.07030	6.5
119.08591	29.2
120.08939	5.2
121.06516	1.5
121.10139	17.2
122.10508	2.6
123.08082	3.6
123.11733	2.8
125.09592	2.2
128.06242	3.5
129.07010	3.2
131.08572	11.1
133.10136	18.3
134.10512	2.2
135.08075	3.8
135.11702	5.7
135.92317	1.6
137.09677	2.1
139.11151	2.5
141.06999	2.1
142.07770	4.4
143.08551	8.8
145.10126	17.4
146.10486	3.8
147.11671	9.8
148.08453	1.9
149.09601	3.9
149.13358	1.7
151.11157	2.5
155.08549	5.6
157.10182	13.2
158.10515	3.6
159.08098	2.7
159.11713	11.1
160.12054	1.9
161.09595	2.0
161.13257	4.2
163.11259	2.3
165.09140	3.9
165.82217	1.6
168.09137	1.6
169.10162	6.6
170.10751	2.7
171.11705	8.8
172.12074	2.4
173.13309	5.7
175.14781	3.3
176.64136	1.6
181.10057	2.1
182.10886	3.3
183.11707	4.4
184.12271	2.1
185.13275	4.9
186.13858	1.7
194.10831	2.3
195.11694	4.9
196.12277	3.7
197.13251	3.5
198.13695	2.4
199.14735	3.4
203.14423	2.8
207.11697	2.1
208.12311	1.9
209.13271	5.0
210.13733	2.5
211.14894	3.8
221.13487	2.3
221.15462	5.7
222.13785	2.4
223.14696	1.9
225.16412	3.7
250.16768	1.8
255.17665	2.4
257.19150	3.4
259.20493	1.9
270.19525	1.8
275.20105	15.9
293.21219	4.4
300.29312	1.7
311.29449	4.7
353.17712	2.2
353.24286	2.0
363.26523	1.8
365.17749	2.1
366.19086	1.9
369.20792	5.4
379.19305	4.5
381.16644	1.7
383.17987	1.5
395.18530	3.1
397.20157	3.6
398.21994	2.1
404.30188	1.9
408.20248	1.9
409.20520	2.4
410.21353	9.0
411.21948	2.3
423.22360	2.0
425.19012	3.3
425.23575	5.8
435.21893	7.2
442.23599	2.3
451.21497	3.6
452.21994	3.0
453.23196	18.3
469.22742	1.8
470.23364	2.4
481.22449	15.6
498.22577	31.5
525.21277	19.1
534.16394	1.8
542.40381	2.2
567.40631	4.4
568.21075	2.1
584.41730	4.7
584.56067	9.5
585.23468	100.0
585.43665	12.6
585.56470	4.3
606.13354	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	585.271
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.01863	1.9
55.05498	4.8
67.05507	6.2
69.03414	1.1
69.07056	6.5
79.05483	7.0
81.03403	1.7
81.07056	7.2
83.04980	2.4
83.08607	2.2
85.06558	1.3
86.62936	1.2
89.06017	1.3
91.05488	6.9
93.07044	10.1
95.04982	2.3
95.08625	7.1
105.07024	9.7
107.04958	4.1
107.08614	5.7
109.10128	3.7
111.04425	1.4
117.07035	2.6
119.08575	8.7
120.08100	2.0
120.08908	1.4
121.10151	4.7
123.08051	2.2
129.07004	2.9
131.08551	5.1
133.06505	1.2
133.10121	4.7
135.08006	2.0
135.11700	2.8
137.09543	1.4
139.11151	1.2
142.07799	1.6
143.08557	3.2
145.10120	4.4
147.11693	3.8
149.09616	2.9
157.10109	4.0
159.11670	3.1
161.13261	2.6
164.38307	1.4
165.59966	1.1
167.08549	1.5
167.10709	2.1
169.10153	1.7
171.11722	1.9
173.13295	1.5
175.11234	1.6
175.15022	1.1
181.10320	1.1
181.85783	1.3
183.11760	1.7
185.13284	2.3
195.13733	1.4
197.10632	2.7
199.14885	1.7
208.10075	1.7
210.11447	2.3
211.12372	1.9
223.12262	2.0
225.10448	1.5
225.13889	5.1
234.13823	1.4
235.12361	1.3
237.13954	3.7
241.09753	1.6
249.13826	1.3
253.13054	1.2
257.34445	1.3
259.20560	4.3
273.18539	1.7
275.20062	3.0
291.19516	9.3
293.21115	1.6
299.14163	1.2
311.29373	1.8
314.16479	2.6
315.13593	1.2
316.17929	1.4
358.95612	1.3
377.17752	1.5
391.19147	1.6
402.18124	1.5
404.16037	2.7
405.16595	1.7
420.19269	1.5
434.20743	5.5
449.23334	3.4
463.25107	2.2
465.23535	1.9
480.21274	1.4
491.24237	3.6
493.22296	7.9
525.24896	1.8
539.26575	2.9
541.28351	9.2
549.25128	18.8
549.39203	1.5
567.26068	100.0
567.40350	5.0
584.41943	2.4
584.55908	4.2
585.26837	18.0
585.37561	3.8
585.41675	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	585.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
55.01863	3.2
55.05270	1.9
55.05516	19.4
57.03423	2.5
57.07061	2.0
61.02944	1.2
67.05492	4.9
69.03430	8.3
69.07052	3.0
71.04991	2.0
79.05485	5.5
81.03429	9.2
81.07071	6.7
83.04987	2.8
83.08624	23.1
85.02910	13.6
85.10190	1.9
86.09689	4.2
87.00832	5.2
91.05468	4.2
93.07076	5.3
95.04961	4.5
95.08592	3.8
95.43744	1.0
97.02882	4.9
97.06539	2.5
97.10136	2.3
98.20772	3.8
99.04445	3.3
100.22349	1.0
105.01868	4.4
105.07024	4.6
105.69499	1.1
107.04930	1.2
107.08578	4.6
109.02894	10.9
109.10158	4.6
111.04444	1.5
113.05933	1.0
115.05521	1.3
116.40691	1.1
119.08567	3.6
121.06512	2.4
121.10157	3.7
123.04437	1.3
123.08014	1.3
123.11710	1.9
125.00011	2.6
127.03914	8.9
129.07007	1.7
131.08575	2.9
133.06483	1.3
133.10112	4.6
135.11760	1.2
143.08557	2.6
145.04979	2.1
145.06519	2.1
145.10149	3.4
147.04402	2.1
147.08096	2.5
147.11734	1.9
149.09637	1.9
157.10110	2.2
158.07272	1.4
159.02924	2.9
159.08067	6.0
159.11708	1.9
161.05992	2.0
161.09625	5.9
161.13232	2.5
163.03883	1.3
163.11121	1.4
169.10121	1.4
171.08022	8.8
171.11684	1.9
172.08827	1.2
173.05939	1.1
173.09641	8.3
173.13249	1.2
175.11160	5.3
177.12669	1.7
183.11787	1.6
184.07346	11.2
185.07852	2.1
185.09612	10.1
185.13246	2.5
187.11162	9.1
189.12733	4.0
195.11671	2.5
198.10403	2.9
199.11183	7.2
201.12755	13.3
203.14296	10.0
211.07498	1.1
213.12750	17.2
215.14307	5.3
225.16315	1.6
227.14363	9.2
229.15906	5.5
229.58228	1.4
231.13812	17.1
241.15823	3.7
241.19440	1.5
243.17438	4.2
245.15367	1.9
249.14880	15.1
255.13666	1.1
255.17470	3.6
257.19080	6.6
258.14911	1.1
259.20633	11.9
263.16336	3.3
265.19409	1.6
271.20505	10.0
273.14941	1.6
283.20572	28.2
301.14499	7.6
301.21625	28.9
319.22693	100.0
320.23178	1.6
323.16425	1.3
324.70563	1.2
337.23758	45.5
434.81146	1.2
493.25388	1.2
505.28018	1.4
507.35901	1.3
549.27399	1.7
567.28601	5.0
585.29480	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	585.291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01870	0.7
55.05507	1.2
57.03423	1.0
61.02918	0.5
67.05516	2.1
68.99786	0.3
69.03432	3.1
69.07063	1.1
70.64584	0.6
70.64922	0.6
71.04977	0.5
72.17448	0.3
79.05499	2.3
81.03429	3.6
81.07063	5.2
83.04964	0.6
83.08627	0.9
84.26801	0.3
85.02909	6.5
87.00836	2.3
91.05470	2.4
93.07050	5.1
95.04980	0.6
95.08615	5.2
97.02881	2.0
97.06512	0.6
97.10179	0.6
99.04472	1.1
99.08079	0.4
105.01857	1.0
105.07037	3.6
107.08604	5.4
109.02876	2.6
109.06504	0.6
109.10173	2.7
111.08081	0.6
117.01810	0.5
117.07013	0.8
119.08589	3.6
121.06544	0.7
121.10165	4.4
123.08071	0.9
123.11736	0.9
125.09628	0.8
127.03912	3.5
129.07014	0.3
131.08577	2.0
131.80478	0.3
133.10120	2.7
135.08058	1.2
135.11684	1.8
137.09605	0.9
139.11189	1.1
141.09088	0.4
143.08597	1.4
145.04971	1.1
145.10112	2.7
147.08061	0.9
147.11719	3.6
149.09660	1.4
149.13246	1.3
151.11192	0.4
155.08551	0.8
156.09387	0.4
157.10165	1.8
159.02928	1.3
159.08055	0.9
159.11722	2.3
161.09618	3.6
161.13242	2.0
163.11218	1.2
169.10164	1.3
171.11716	1.7
173.09669	0.5
173.13248	2.2
175.11205	1.2
175.14804	0.6
177.12715	0.7
179.10623	0.5
181.10158	0.5
181.12280	0.5
183.11714	1.7
185.09666	0.4
185.13307	1.4
187.11232	0.8
187.14857	0.8
189.12833	1.6
193.12221	1.6
195.11696	0.9
195.13745	0.4
195.70543	0.3
197.13274	2.0
198.13974	0.4
199.11276	0.4
199.14859	1.2
201.12704	0.9
203.14316	0.8
205.12245	0.4
209.13237	0.7
211.14848	1.2
213.12738	0.5
213.16408	2.1
215.14381	1.2
215.18021	0.5
217.15944	0.6
219.13779	2.1
223.14842	0.8
224.15659	0.3
225.16385	1.6
227.14320	0.9
227.17862	1.5
229.15930	0.4
229.19482	0.6
231.04962	0.5
231.13707	0.3
231.17445	0.6
233.15347	0.5
237.16563	0.4
239.17921	0.8
241.15829	0.8
241.19560	1.6
243.17506	1.3
243.21072	0.5
245.15442	0.5
245.19049	0.6
253.19550	3.3
255.21104	0.8
257.19073	0.6
259.16986	0.5
259.20642	1.1
261.18427	0.4
261.22000	0.3
265.19577	0.8
270.19876	0.3
271.20575	4.5
273.18701	0.3
273.22046	0.4
275.20096	1.0
283.20587	2.6
289.21643	5.5
301.21622	5.8
319.22705	15.4
337.23749	100.0
338.24118	1.2
494.12579	0.3
567.39197	0.4
576.39667	0.3
585.28931	5.5
585.39978	3.3
585.90070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
55.01868	0.9
55.05503	1.4
57.03431	1.1
57.07072	0.3
61.02927	0.5
65.03933	0.6
67.05229	0.3
67.05507	2.9
67.11417	0.3
68.99783	0.5
69.03432	3.7
69.07064	1.9
69.85109	1.4
70.06603	0.4
71.04995	0.4
73.02904	0.4
79.05499	3.7
80.25050	0.3
81.03416	3.4
81.06594	0.6
81.07059	11.4
83.04965	1.1
83.08617	1.0
85.02909	7.1
85.06533	0.3
87.00829	2.6
89.71806	0.3
91.05481	2.6
93.07046	7.7
94.41253	0.3
95.04962	0.8
95.08613	7.2
97.02901	3.0
97.06522	1.3
97.10180	0.8
98.20856	0.4
99.04453	1.3
99.08099	1.0
105.01890	1.5
105.07039	4.1
107.04955	0.6
107.08604	6.0
107.24275	0.2
109.02892	3.0
109.06519	0.7
109.10168	4.0
111.08068	0.7
111.11730	0.7
115.03941	0.3
117.01849	0.3
117.07011	1.1
119.04928	0.3
119.08589	4.7
121.06504	1.0
121.09340	0.5
121.10154	7.7
122.90073	0.3
123.08100	1.9
123.11695	0.9
125.05974	0.7
125.09632	1.4
127.03923	3.8
129.06993	0.6
130.73018	0.3
131.08568	2.4
133.06450	0.4
133.10135	3.9
135.04395	0.3
135.08044	1.6
135.11690	2.3
137.09598	1.1
137.13324	0.3
139.11185	3.9
141.06944	0.4
141.09087	0.5
142.07840	0.4
143.08595	1.8
144.09282	0.3
144.11147	0.3
145.04956	1.3
145.06490	0.5
145.10129	4.8
146.10529	0.3
147.04398	0.3
147.08044	0.5
147.11690	6.8
149.09583	1.6
149.13264	1.5
151.11198	0.6
155.08525	1.1
157.10152	2.3
159.02919	1.0
159.08009	0.8
159.11707	3.9
159.64394	0.3
161.09601	2.2
161.13252	2.5
163.11197	2.2
165.09096	0.4
165.12750	0.5
168.09279	0.3
169.10123	1.8
171.11745	2.7
173.09639	0.6
173.13263	2.8
174.09987	0.4
175.11215	1.2
175.14850	0.9
177.12697	0.8
179.08684	0.3
179.14334	0.6
181.10129	0.6
181.12256	1.1
182.10773	0.3
183.11729	2.4
185.09669	0.5
185.13272	2.3
187.11179	0.9
187.14803	1.6
188.11604	0.5
189.12715	1.8
191.14352	0.4
193.12299	0.9
195.11742	1.0
195.13835	1.3
197.13275	2.4
199.11122	0.5
199.14784	1.6
201.12717	0.7
201.16476	0.7
203.14293	0.5
205.12259	0.5
207.11661	0.3
209.13246	0.5
211.14906	1.8
212.15631	0.6
213.12865	0.4
213.16405	2.9
215.10585	0.4
215.14243	1.4
215.17934	0.4
216.10950	0.4
217.15959	0.6
219.13858	0.4
223.14883	1.0
225.16373	1.8
227.17982	3.3
229.15813	0.8
229.19537	1.1
231.05048	0.5
231.17456	0.6
233.11797	0.7
234.12035	0.5
237.16457	0.6
239.17947	0.8
241.15868	0.8
241.19513	2.5
243.17470	1.1
243.21153	0.9
245.19060	0.5
252.13287	0.5
253.19547	5.1
255.21111	0.9
257.18961	0.6
259.17819	0.4
259.20541	2.5
265.19492	0.9
271.20554	12.5
273.22183	0.5
275.20294	0.3
283.20544	3.5
289.21634	14.0
291.23453	0.4
301.14410	0.6
301.21671	6.4
319.19727	0.3
319.22672	11.8
337.23737	100.0
338.23904	0.8
484.74139	0.3
505.28027	0.4
523.28894	0.4
549.26697	0.5
567.29340	0.5
567.38861	0.5
576.39471	0.5
585.29303	1.3
585.40039	3.5
585.90363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.1
55.01886	1.1
55.05505	1.9
57.03435	1.5
61.02926	1.1
67.05505	2.6
68.99792	1.0
69.03436	6.1
69.07069	1.5
69.73730	1.0
69.74143	1.8
70.06591	0.6
71.04984	1.0
73.02914	1.5
79.05502	4.6
81.03421	5.8
81.07065	10.9
83.04985	0.5
83.08616	0.9
85.02913	12.4
85.03432	0.7
87.00838	3.9
91.05476	3.0
93.07053	9.6
95.04948	1.0
95.08613	8.5
97.02887	4.0
97.06535	1.2
97.10192	0.8
98.21587	0.5
99.04460	2.2
100.02894	0.5
100.60627	0.5
105.01887	3.5
105.07040	5.6
107.04952	1.0
107.08597	7.0
109.02891	4.3
109.06535	0.7
109.10160	3.7
111.08090	1.0
111.11707	0.8
117.07055	1.2
119.08593	4.8
121.06512	1.2
121.10148	8.0
123.08063	1.0
123.11725	1.5
127.03929	8.3
129.01816	0.5
129.07016	1.0
131.08574	2.8
133.10136	4.7
135.08035	1.6
135.11671	2.5
137.06033	0.6
137.09587	1.1
137.45500	0.5
139.11198	3.9
141.09097	0.6
143.08557	2.2
145.04953	2.8
145.10135	5.2
147.08043	1.4
147.11700	6.1
149.09630	4.9
149.13268	1.7
151.11211	0.9
155.08548	1.8
156.09340	0.6
157.10103	2.7
159.02898	2.4
159.08072	1.2
159.11696	4.1
161.09554	2.5
161.13274	2.2
163.03912	1.4
163.11186	2.5
165.09145	0.7
165.12799	0.7
167.08563	0.8
167.10750	0.7
169.10139	2.0
171.11694	3.3
173.09721	0.7
173.13298	2.7
175.05127	0.5
175.11212	2.2
177.12775	1.1
179.10698	0.5
179.14288	0.8
181.10118	0.9
181.12260	1.3
183.11732	2.0
185.13300	2.3
187.11313	0.6
187.14877	1.1
189.12726	0.8
195.11790	1.0
195.13699	0.7
196.12485	0.6
197.13263	3.3
199.14841	2.4
201.12779	1.9
203.14377	0.7
209.13319	0.7
211.14856	2.0
213.12747	0.7
213.16425	2.9
215.14355	1.2
215.18001	0.6
219.13812	0.9
223.14856	1.5
225.16443	1.2
227.14433	0.8
227.17932	3.5
228.81790	0.5
229.15833	1.1
229.19438	0.9
231.05000	1.2
237.16537	0.9
239.18037	1.1
240.18745	0.5
241.15903	0.8
241.19550	3.1
243.17516	0.9
243.21083	1.0
253.19519	5.3
255.17616	0.6
257.19043	0.7
259.20630	3.0
265.19635	1.2
271.20578	14.1
277.21704	1.8
283.20596	3.4
289.21631	16.7
301.21661	8.7
319.22678	20.0
337.23746	100.0
338.23828	0.7
355.60867	0.5
549.26947	0.9
567.28149	1.7
585.29388	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	585.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05630	0.3
53.03935	0.9
53.22977	0.2
55.01862	1.0
55.05514	1.7
57.03433	0.5
58.90788	0.2
61.02922	0.5
67.05513	2.5
68.99788	0.5
69.03431	3.1
69.07065	1.7
69.85107	1.3
71.01373	0.3
71.04969	0.4
73.02915	0.7
77.03843	0.2
77.35424	0.2
79.05495	3.1
81.03413	2.9
81.07057	5.5
83.04965	0.6
83.08634	1.3
85.02903	6.8
85.06548	0.4
86.09713	0.5
87.00822	2.3
91.05473	2.8
93.07051	6.2
95.04967	0.9
95.08607	6.1
97.02892	2.0
97.06544	0.7
97.10162	0.9
99.04449	1.2
99.08105	1.0
105.01839	1.6
105.07037	3.8
107.08592	5.7
109.02862	2.7
109.06546	0.6
109.10172	3.2
111.08064	0.6
111.11723	0.5
117.01863	0.6
117.07044	0.4
119.04947	0.3
119.08585	3.8
121.06496	0.8
121.10143	4.5
123.08051	1.1
123.11716	1.0
125.09626	1.0
127.03910	4.2
129.01842	0.5
129.07016	0.7
131.08566	1.8
133.06473	0.3
133.10120	3.2
135.08040	1.7
135.11710	2.2
137.09622	1.2
139.11206	1.0
141.09138	0.4
143.08571	1.6
145.04984	0.8
145.10139	3.5
147.02863	0.3
147.04407	0.3
147.08051	1.2
147.11691	3.5
149.09628	1.6
149.13234	1.3
151.11148	0.7
155.08563	0.9
155.38724	0.2
157.10136	1.8
159.02887	1.1
159.08017	0.8
159.11703	3.3
161.09634	4.0
161.13246	2.4
163.11195	1.5
163.14818	0.3
167.10643	0.4
169.10126	1.4
171.08011	0.4
171.11691	2.4
173.09692	0.4
173.13248	2.0
175.11227	0.9
175.14841	0.6
177.12784	0.5
179.10654	0.4
179.14362	0.3
181.10089	0.6
183.11719	1.6
185.09644	0.5
185.13264	1.8
187.11139	0.8
187.14833	0.9
189.12746	1.5
191.14282	0.7
193.12267	1.3
195.11754	0.9
195.13646	0.3
197.13243	1.8
199.14841	1.4
201.12766	1.2
201.16426	0.6
203.14328	0.6
207.13803	0.3
209.13297	0.7
211.14812	1.7
212.15546	0.3
213.03998	0.3
213.12538	0.3
213.16394	3.1
215.14389	1.4
215.17926	0.5
217.15968	0.5
219.13828	2.2
223.14832	1.0
225.16310	1.5
227.14397	0.7
227.18016	1.6
229.15909	0.9
229.19501	0.6
231.05095	0.4
231.17435	0.5
233.15163	0.3
237.16396	0.4
239.17938	1.0
241.15915	0.7
241.19403	1.7
243.17438	1.0
243.21097	0.4
245.15273	0.5
245.19153	0.4
253.19522	3.3
255.17442	0.4
255.21194	0.7
257.19055	0.8
259.16956	0.6
259.20679	1.2
261.18494	0.7
265.19516	0.9
271.20554	5.5
273.18494	0.5
273.22104	0.8
275.20090	0.9
283.20584	3.0
289.21616	6.1
301.21625	6.6
302.22055	0.4
319.22672	19.4
325.16595	0.3
337.23727	100.0
338.24124	0.9
365.08484	0.3
490.04764	0.3
505.28265	0.4
523.29108	0.4
549.26672	0.4
567.28326	0.6
585.21521	0.5
585.29675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10815	0.5
52.67083	0.5
55.01864	0.7
55.05506	1.3
57.03439	0.7
64.12070	0.5
67.05501	2.2
69.03433	3.1
69.07076	1.1
70.04097	2.0
71.05007	0.6
79.05495	1.7
81.03413	2.5
81.07050	4.0
83.08629	0.8
85.02911	5.9
87.00813	2.1
91.05483	1.5
93.07059	4.6
95.04987	0.5
95.08628	5.2
97.02882	2.2
97.06533	1.1
98.21474	0.7
99.04440	1.2
103.05443	0.6
105.01874	2.3
105.07012	2.9
107.08617	5.2
109.02878	2.2
109.06522	0.9
109.10192	3.4
111.08103	0.8
117.06973	0.6
118.67527	0.6
119.08595	4.5
121.06493	0.8
121.10153	4.6
123.08055	0.8
123.11709	1.1
127.03937	4.4
129.07018	0.8
131.08585	0.9
133.10100	2.2
135.08054	0.9
135.11743	0.8
137.09637	1.4
143.08510	1.2
145.04948	1.4
145.10143	2.4
147.08040	1.3
147.11673	1.7
149.09645	0.9
151.11156	0.6
155.08444	0.6
157.10159	1.6
157.21594	0.5
159.02869	1.1
159.08031	0.7
159.11705	2.1
161.09633	1.7
161.13268	1.7
163.11195	2.3
165.09114	1.3
169.10133	1.1
171.11691	1.7
173.09653	1.1
173.13319	1.6
175.11145	2.9
177.12756	2.6
181.10173	0.6
183.11652	1.2
184.14038	0.5
185.13309	1.0
187.11250	1.1
189.12729	3.7
195.11659	0.9
197.13327	1.1
199.11151	0.8
199.14874	0.9
201.12756	3.2
203.14310	1.6
209.13385	1.1
211.14951	0.6
213.12773	1.6
213.16351	0.5
215.14319	1.5
219.13716	1.0
223.14719	0.8
225.16438	1.0
226.34805	0.5
227.14287	1.8
227.18153	0.6
229.15723	0.5
237.16322	0.6
239.17932	1.2
241.15868	0.9
243.17476	1.9
255.17522	1.2
255.21103	1.4
257.19138	3.9
265.19614	1.4
271.20639	4.1
271.23337	0.7
283.20593	6.8
289.21594	1.4
301.21640	12.7
319.22705	12.2
337.23752	100.0
338.70923	0.5
525.89880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.64242	0.3
55.01861	0.8
55.05499	1.1
57.03431	0.8
57.07064	0.4
61.02920	0.7
67.05497	1.4
68.99805	0.4
69.03429	3.2
69.07063	1.1
70.85051	0.7
71.04984	0.9
73.02911	0.7
79.05502	1.9
81.03415	2.2
81.07065	4.0
83.04984	0.8
83.08614	0.6
85.02435	0.5
85.02906	7.2
87.00834	3.9
91.05486	1.7
93.07040	3.3
94.41943	0.3
95.04930	0.7
95.08604	5.3
97.02901	2.4
97.06518	0.4
99.04443	1.1
99.08063	0.6
101.39333	0.4
105.01852	2.1
105.06386	0.5
105.07026	2.7
107.08598	6.6
108.37656	0.3
109.02880	3.0
109.06548	0.7
109.10155	2.3
111.08126	0.6
114.77567	0.3
117.06965	0.4
119.08590	3.9
121.06497	0.7
121.10143	5.2
123.08068	0.9
123.11686	0.5
125.09653	0.4
127.03920	3.8
127.99868	0.3
131.08536	1.5
133.10086	2.3
135.08044	1.2
135.11710	1.9
137.09663	0.4
139.11180	0.6
143.08575	1.8
145.04967	1.4
145.10114	1.9
147.08038	1.0
147.11665	1.9
149.09613	1.1
149.13255	0.6
151.11203	0.7
155.08524	0.8
157.10153	2.3
158.10927	0.5
159.02904	1.5
159.08081	1.0
159.11711	3.9
161.09657	2.8
161.13254	2.3
163.11188	1.0
165.09151	0.4
167.08572	0.4
169.10114	1.2
171.08049	0.7
171.11679	2.2
173.09644	0.8
173.13249	3.3
175.11224	2.1
175.14819	0.6
177.12727	0.9
181.10158	0.8
183.11703	1.9
185.09700	0.7
185.13284	1.5
187.11205	1.1
187.14821	1.1
189.08983	0.6
189.12724	1.8
191.14316	0.4
193.12202	1.4
195.11710	1.0
195.13675	0.3
197.13327	2.1
199.11195	0.5
199.14902	1.6
201.12755	2.7
203.14337	1.1
207.13710	0.5
209.13222	1.2
210.14090	0.5
211.14821	0.4
213.12805	1.3
213.16342	1.0
215.14333	1.0
215.17874	0.5
217.15811	0.9
219.13771	3.7
223.14873	0.8
225.16357	2.0
227.14299	2.3
229.15915	0.5
229.19492	0.5
231.05035	0.5
237.16333	0.3
239.17975	1.2
241.15915	0.8
241.19475	1.3
243.17390	0.7
243.21127	0.6
245.15302	1.8
253.19496	1.0
255.17381	0.5
255.21109	1.3
257.19052	0.9
259.16980	0.9
265.19608	1.8
271.20557	1.8
273.22098	1.3
275.20108	0.9
277.21921	0.3
283.20578	5.5
289.21631	8.1
301.21634	10.9
319.22684	21.4
337.23730	100.0
338.23996	1.3
445.25919	0.4
493.46863	0.4
505.27832	0.7
549.26917	1.5
567.27631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48280	0.2
53.03937	0.7
54.79553	0.2
55.01866	0.8
55.05501	0.8
57.03426	0.7
57.07079	0.2
61.02932	0.5
67.05502	1.7
68.99795	0.3
69.03432	3.6
69.07082	1.4
70.49737	0.8
71.04975	0.5
73.02903	0.5
79.05484	1.3
81.03423	2.4
81.07057	3.9
83.04967	0.8
83.08633	0.8
85.02909	7.0
85.06507	0.3
87.00832	2.6
91.05492	1.6
93.07045	3.3
95.04961	0.5
95.08608	5.0
97.02898	2.0
97.06562	1.2
97.10187	0.3
98.62852	0.2
99.04453	0.9
99.08053	0.3
105.01879	1.9
105.07027	2.0
107.08589	4.4
109.02896	1.9
109.06503	0.7
109.10142	2.0
110.15788	0.2
111.08041	1.0
117.01841	0.4
117.07021	0.5
119.08578	3.7
121.06503	0.9
121.10149	4.3
123.08067	1.0
123.11731	0.5
127.03906	4.0
129.06999	0.4
131.08540	1.5
133.06496	0.3
133.10120	2.0
135.08011	0.5
135.11673	1.0
137.09601	0.8
139.11136	0.7
141.09106	0.9
143.08566	1.6
144.09328	0.4
145.04996	1.2
145.10136	2.7
147.08031	1.2
147.11690	1.9
149.09538	0.4
149.13321	0.3
151.11157	0.3
155.08534	0.7
155.10645	0.3
157.10126	1.7
159.02888	1.3
159.08026	0.7
159.11697	5.4
160.08803	0.3
161.09604	1.7
161.13281	3.0
163.11186	1.3
165.09082	0.3
167.08629	0.4
169.10117	1.7
171.08028	0.5
171.11685	2.0
173.09697	0.7
173.13257	3.4
175.11177	3.3
175.14835	0.9
177.12759	1.5
181.10130	0.7
183.10220	0.3
183.11703	2.1
185.09644	0.9
185.13316	2.2
186.10342	0.2
187.09734	0.2
187.11153	1.3
187.14769	0.9
189.12737	2.9
191.14296	0.4
193.12289	0.6
195.11690	1.2
197.13280	1.5
199.11195	0.6
199.14828	1.8
201.12740	1.7
203.14291	2.0
209.13300	1.3
210.14011	0.7
211.14742	1.3
212.12032	0.3
213.03935	0.2
213.12837	1.5
213.16380	2.0
215.14342	0.7
215.17924	0.6
219.13791	1.0
219.91699	0.3
223.14847	1.0
225.16354	3.3
227.14323	2.5
227.17876	0.6
229.15782	0.5
229.19576	0.4
231.04956	0.6
231.13763	0.7
235.14815	0.4
237.16376	0.5
239.14310	0.3
239.17877	1.6
240.18777	0.5
241.15965	1.2
241.19524	1.7
243.17499	1.2
243.21190	0.7
245.15419	0.6
250.17169	0.4
253.19559	1.3
255.17485	1.1
255.21025	1.3
257.19064	2.0
259.20648	0.4
265.19550	2.6
268.18158	0.4
271.20569	4.8
273.18546	0.3
273.22162	0.9
275.20068	0.6
283.20578	8.9
289.21613	5.4
301.21609	12.4
319.22665	15.1
337.23730	100.0
338.24170	0.7
417.53418	0.3
422.92551	0.3
505.27890	0.8
549.26605	0.7
567.27905	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.01859	0.6
55.05508	1.3
57.03421	0.7
58.30325	0.5
67.05500	2.4
69.03438	2.5
69.07061	0.9
69.88186	2.3
79.05485	1.6
81.03420	2.4
81.07069	4.0
83.04990	0.7
83.08618	0.9
85.02905	4.9
87.00820	2.5
91.05486	1.5
93.07056	5.1
95.04940	0.6
95.08607	4.8
97.02895	2.3
97.06532	0.7
99.04448	1.5
105.01869	1.2
105.07024	2.3
107.08593	5.6
109.02867	2.3
109.06561	0.6
109.10147	2.2
111.08060	0.8
117.07031	0.6
119.08585	4.4
121.06567	0.8
121.10172	4.4
123.08088	1.1
123.11683	1.2
127.03913	3.7
129.07024	1.1
131.08578	1.8
132.17628	0.6
133.10147	2.1
135.08032	1.5
135.11731	1.4
137.09660	0.7
139.11143	0.9
141.07018	0.7
143.08595	1.1
145.04950	1.1
145.10115	1.9
147.11678	1.5
149.09630	2.6
151.11159	0.6
157.10144	1.6
159.02884	1.6
159.08075	1.0
159.11700	3.7
161.09660	3.0
161.13263	1.9
163.11237	1.1
164.04652	0.6
169.10097	0.9
171.11678	2.0
172.66414	0.5
173.09624	1.3
173.13229	2.9
175.11203	2.2
175.14767	0.7
179.14325	0.6
181.10121	0.8
183.11702	2.2
185.13274	1.8
187.11201	1.1
187.14851	1.6
189.12764	1.5
191.14348	0.9
192.61102	0.5
193.12230	1.2
195.11711	0.9
197.13315	1.3
199.11217	0.8
199.14824	1.2
201.12799	1.5
201.16414	0.7
203.14287	0.9
209.13246	1.0
211.14734	0.8
213.12709	0.7
213.16409	1.3
215.14386	2.9
215.18045	0.6
219.02191	0.5
219.13860	2.4
223.14828	1.0
225.16420	1.8
227.14229	0.6
227.17909	0.6
229.19479	0.9
231.04961	0.6
233.15437	1.0
239.18021	1.0
241.15891	0.8
241.19609	1.1
243.17471	1.1
243.21242	1.1
245.15422	0.8
250.16913	0.7
253.19501	1.6
255.21126	1.5
257.19061	0.9
259.20731	0.9
265.19498	2.1
271.20590	2.3
273.22223	1.5
275.20047	1.0
277.21713	1.4
283.20605	6.1
289.21661	3.7
301.21637	8.5
319.22693	19.8
337.23746	100.0
338.24115	0.7
549.27039	0.8
567.27679	0.8
585.29370	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78160	0.6
53.03952	5.0
55.01877	4.4
55.05499	1.8
57.03436	3.7
58.87516	0.6
61.02936	3.5
63.68386	0.6
67.05508	4.2
67.76505	0.7
68.99774	2.0
69.03432	23.3
69.07067	2.6
69.49540	4.0
70.06590	1.2
71.04994	2.6
73.02920	4.6
79.05497	4.1
81.03426	21.3
81.07058	15.3
83.08607	1.0
85.02908	50.5
86.09698	1.5
87.00835	19.9
90.56142	0.7
91.03957	1.2
91.05484	5.1
93.07040	8.5
95.04982	0.9
95.08614	8.5
97.02898	15.3
97.06538	4.0
98.20770	1.4
99.04462	8.4
99.08089	1.9
101.02377	0.8
103.03946	1.0
105.01196	1.1
105.01874	17.9
105.07040	10.2
107.04973	0.8
107.08597	12.6
109.02881	22.0
109.06500	1.3
109.10158	6.2
111.08038	1.1
115.06686	0.6
117.01859	3.1
117.07033	1.9
119.08584	8.6
121.02926	0.7
121.06527	7.9
121.10141	8.0
123.08086	3.2
123.11728	4.9
125.09659	0.9
127.03922	37.3
129.01852	3.9
131.08563	8.7
133.06491	0.7
133.10109	6.0
135.08049	4.8
135.11676	3.7
137.09619	2.9
139.11168	0.8
142.07732	0.7
143.08623	3.8
145.03909	1.2
145.04973	13.7
145.10141	10.7
147.02896	2.4
147.08075	5.6
147.11702	6.2
149.09639	4.4
149.13231	1.9
153.09077	0.9
155.08571	1.8
157.10146	4.7
159.02922	8.8
159.11674	5.3
161.09653	4.9
161.13266	3.5
163.11188	3.0
163.14729	0.9
167.10680	3.4
169.10129	1.7
171.11713	4.2
173.09601	0.8
173.13255	2.6
175.01375	0.8
175.11208	3.2
175.14874	1.2
177.12695	1.3
177.16388	1.0
179.10742	1.6
181.10141	1.0
183.11707	2.8
184.07329	1.8
185.13248	5.1
187.14764	3.2
189.03972	2.0
189.12743	0.8
193.12291	0.8
195.11778	1.6
197.13266	3.0
199.14854	2.8
201.12581	1.0
201.16458	3.2
203.14352	1.2
209.13336	1.8
211.14703	1.2
213.04039	2.0
213.16367	2.8
215.14325	0.8
217.15916	0.9
219.17493	3.3
223.14841	1.6
225.16391	2.8
227.14445	1.2
227.17999	1.1
229.15820	0.9
231.05017	9.8
231.17566	0.9
237.16472	1.6
237.18512	5.6
239.17821	1.5
241.15942	1.1
241.19481	2.8
249.06097	1.5
253.19612	5.0
255.21295	1.4
257.19122	1.0
259.20660	2.8
265.19531	2.8
265.90247	0.8
271.20551	9.3
273.22086	0.7
283.20581	11.4
289.21686	5.1
301.21622	11.3
307.22684	4.5
319.22693	25.3
337.23746	100.0
338.24316	0.7
495.75525	0.6
576.14874	0.7
585.28864	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	585.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
55.05515	4.0
57.03434	1.7
57.07061	1.8
60.46705	0.7
67.05505	10.2
69.07064	4.2
70.53777	0.7
71.05003	1.5
71.08611	0.8
74.81664	0.6
79.05489	6.0
80.05831	0.9
81.03403	1.5
81.07063	10.7
82.07385	0.6
83.08606	3.4
84.79633	0.5
84.92500	0.6
85.06518	0.6
88.07666	0.7
89.06037	0.7
91.05482	6.3
93.07058	6.7
95.04993	1.6
95.08607	9.6
97.06545	1.3
97.10167	1.7
105.07022	4.7
107.04943	1.5
107.08588	4.8
109.06509	1.8
109.10155	4.6
111.08090	0.9
117.07034	1.8
119.08593	5.9
121.10165	3.9
123.08111	1.5
123.11710	1.1
125.09679	0.6
131.08575	2.1
133.08664	0.8
133.10100	3.1
135.08099	1.0
135.11705	2.3
137.09656	1.4
143.08607	1.0
145.10133	3.1
146.10536	0.7
147.11694	1.5
149.13228	0.7
157.10141	1.3
159.11707	1.4
163.11122	1.3
165.09088	0.8
171.11739	0.8
173.13295	0.8
183.11761	1.0
184.12001	0.7
185.13264	0.6
191.10651	0.9
232.87193	0.7
249.10991	23.2
251.12582	1.4
259.23944	0.6
275.20050	2.1
284.29626	0.9
289.18094	3.4
305.13693	2.0
307.19144	2.5
311.29486	0.9
337.27484	0.9
506.39374	1.6
550.41827	1.3
585.37537	100.0
586.37823	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.8
55.01864	8.8
55.05516	27.8
57.03422	3.6
57.07066	7.2
61.48477	2.2
63.90366	2.3
65.03946	5.7
67.05504	56.5
67.23800	2.1
69.01434	2.2
69.07072	57.8
70.57716	7.2
71.04984	9.2
79.05071	3.7
79.05495	54.4
81.03426	18.1
81.07056	57.1
83.05002	16.4
83.08614	10.7
85.02892	4.2
85.06529	7.5
91.05484	53.8
93.06143	2.8
93.07047	65.9
95.04960	13.2
95.08606	51.0
95.76406	2.7
97.06519	20.0
97.10151	5.6
99.04447	4.8
99.08089	5.2
105.04479	3.4
105.07028	63.1
107.04953	53.7
107.08600	39.9
109.06516	10.9
109.10149	25.4
111.04425	7.9
111.08082	4.5
111.11699	2.9
115.05450	5.6
117.07029	25.6
117.29357	2.8
119.07721	3.3
119.08590	60.6
121.06503	4.8
121.10134	38.0
123.08057	9.7
123.11665	5.0
125.09609	5.8
128.06184	4.1
129.07025	15.1
131.08557	34.0
133.06487	5.6
133.10127	43.3
135.08070	11.1
135.11685	18.7
137.09607	8.3
139.11203	11.4
141.06943	3.8
142.07806	4.0
143.08543	21.1
145.10129	34.4
147.08083	4.3
147.11699	41.5
149.09636	34.1
149.13239	10.8
151.07516	2.8
151.11162	3.0
153.09097	6.9
155.08533	7.2
156.09279	3.5
157.10138	18.4
159.11688	20.2
161.09656	8.8
161.13268	23.9
163.11186	6.3
163.14798	2.5
165.09109	2.7
167.08540	2.9
167.14302	4.2
169.10120	9.9
171.11685	16.6
173.09590	2.6
173.11909	2.6
173.13242	14.2
175.11206	6.9
175.14853	13.6
177.12718	4.6
181.10086	2.9
183.11664	8.4
185.13254	9.5
187.14859	6.9
189.12769	3.1
195.11749	6.5
195.13826	13.1
195.28781	2.5
197.13202	6.2
199.14813	7.8
203.12724	5.8
207.11678	2.9
209.13298	6.4
211.14709	5.1
213.16304	4.0
215.14229	2.8
221.13316	2.7
225.16466	3.0
227.17932	3.2
235.13142	3.8
237.16447	4.0
241.19507	19.2
245.19000	5.3
253.19556	2.7
255.17372	4.7
257.18933	6.9
259.20590	45.9
263.20148	4.4
267.33173	2.3
267.39081	2.6
273.18549	22.3
275.20126	19.9
277.21692	10.3
289.18185	3.2
289.21594	2.9
291.19537	100.0
293.21185	4.0
318.77103	3.3
365.28845	4.3
367.30127	3.0
369.27460	2.8
383.29370	8.1
459.71472	2.7
469.33215	4.4
471.34244	3.2
487.34061	3.8
506.54401	2.4
531.38123	6.4
549.39417	21.7
567.40540	28.6
585.41718	18.4
585.56232	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	585.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01870	2.9
55.05515	16.2
57.03426	3.3
57.07066	3.4
57.23173	1.7
65.03939	3.0
67.05183	2.3
67.05508	25.2
69.07076	24.0
69.76990	2.0
70.11264	7.9
71.04979	4.2
74.68616	1.7
79.05074	2.8
79.05499	37.7
81.07059	23.9
83.04973	7.0
83.08613	6.6
85.06577	2.3
89.06031	4.5
91.05486	30.1
93.07037	34.0
95.04974	11.2
95.08615	16.4
97.06530	5.1
97.10162	6.0
98.20789	2.1
105.07039	28.5
105.10973	1.7
107.04970	21.7
107.08605	26.8
109.06534	2.3
109.10146	8.4
117.07009	7.1
119.08590	19.9
121.06500	4.0
121.10144	20.7
123.08060	3.2
125.09655	1.8
129.07030	3.2
131.08569	12.9
133.08612	2.6
133.10141	19.6
135.08034	14.4
135.11697	6.3
139.11180	5.7
145.10126	12.5
147.08078	2.4
147.11676	11.7
149.09627	14.8
149.13214	1.9
157.10130	4.3
159.11678	8.1
161.13264	2.3
163.11211	3.1
163.14792	2.4
169.10170	2.3
171.11647	2.6
173.13278	5.5
174.28345	1.7
183.11670	3.1
187.13307	2.2
187.14885	2.3
197.13312	3.7
203.12781	7.7
205.85535	1.8
209.15314	5.2
215.17853	1.9
219.17430	10.5
229.19667	2.0
237.14803	5.1
239.17845	3.8
257.19147	9.2
275.20081	100.0
293.21152	40.8
311.29517	2.3
451.05237	1.9
515.43469	1.7
585.42786	4.0
585.56165	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	585.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	5.7
55.05500	15.4
57.07061	8.0
62.82699	3.9
64.74362	3.6
67.05502	31.4
69.07073	21.3
69.54659	9.1
69.55054	26.5
71.04983	7.6
79.05489	29.6
81.07059	48.8
83.08622	11.5
84.66468	4.8
91.05487	46.4
93.07053	70.8
95.04966	19.9
95.08604	50.3
97.06525	7.1
101.38619	4.9
103.05495	5.7
104.12054	4.1
105.07041	80.7
107.04961	6.5
107.08603	66.4
109.06494	11.8
109.10163	46.2
111.08117	8.1
117.07006	14.7
119.08587	100.0
121.06467	7.9
121.10149	77.2
123.08067	9.1
123.11697	17.0
125.09585	8.4
128.06233	9.2
129.07011	18.3
130.07802	7.1
131.08585	53.1
133.10152	71.1
134.10759	4.1
135.08034	15.7
135.11691	42.2
137.09607	14.7
139.11200	5.5
141.07011	4.2
142.07758	16.8
143.08559	30.1
144.09366	5.8
145.10132	82.0
147.08034	6.2
147.11710	35.5
149.09615	9.9
149.13263	8.6
155.08563	15.4
156.09319	12.3
157.10144	47.6
158.10994	5.5
159.08034	7.2
159.11694	38.7
161.09647	8.8
161.13284	10.2
163.11246	9.0
166.07729	4.6
169.10135	17.8
169.81555	4.0
170.10681	4.6
171.11667	31.5
172.12090	4.8
173.09604	6.3
173.13229	26.0
175.14833	38.9
177.12767	4.2
179.08650	6.8
181.10114	13.9
182.10918	4.4
183.11761	23.0
185.13254	15.7
187.11246	6.4
187.14853	23.2
189.12741	7.7
189.16423	5.0
191.14394	6.2
193.10060	9.4
194.10844	10.1
195.11734	21.6
196.12335	4.2
197.13286	22.0
199.14825	11.1
201.12666	6.8
201.16420	12.8
207.11673	13.1
208.12485	6.4
209.13301	20.8
211.14810	13.6
213.12737	6.2
213.16423	14.0
221.13123	12.2
223.14706	9.4
225.16417	9.8
231.17549	6.3
233.13194	9.2
234.13808	4.4
235.14780	8.1
237.16443	8.8
239.17851	10.3
241.15689	6.2
247.14723	5.4
251.17905	4.5
253.16039	4.9
257.18921	13.7
259.20679	4.9
261.16324	7.5
263.18021	6.3
265.19516	7.3
267.21063	8.9
269.19086	4.3
277.19479	5.5
283.20438	4.8
289.19531	7.3
295.20404	8.0
307.20459	4.7
335.68417	4.6
353.24823	4.4
429.31378	8.5
447.32980	6.3
522.08826	4.7
567.42072	21.2
585.43054	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	586.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59586	0.8
53.03936	1.4
55.01872	9.3
55.05506	1.8
57.03428	3.5
58.04213	0.9
61.17733	0.9
67.05488	4.2
69.03084	1.3
69.03431	13.7
69.07063	7.5
69.74748	3.3
70.06597	1.7
71.04986	4.0
79.05495	6.2
81.03422	20.3
81.07054	12.8
83.04990	2.2
83.08649	1.0
85.02908	15.0
85.06538	3.3
86.09692	1.5
88.54301	0.8
91.05474	4.2
93.06490	1.2
93.07045	18.7
95.04949	2.2
95.08614	8.8
97.02880	6.2
97.06538	7.7
99.04454	11.2
101.02361	1.8
104.10738	1.1
105.06398	1.5
105.07031	17.6
107.04955	2.2
107.08597	31.9
109.02884	18.9
109.06508	9.0
109.10159	1.1
111.04409	1.1
111.08067	3.7
111.11698	1.1
113.06004	3.2
117.07027	1.9
119.08589	5.6
121.06519	8.8
121.10143	17.8
123.08095	4.4
125.05996	1.2
127.03922	23.6
127.07580	2.3
130.07797	1.1
131.08563	1.1
135.08058	2.2
135.11690	8.5
137.05984	1.6
137.09612	1.2
137.83902	1.0
139.07494	1.6
139.11153	2.6
143.08542	1.1
145.04932	3.7
145.10126	18.9
147.08040	1.4
147.11688	3.2
149.05956	1.4
149.09637	8.5
151.07515	5.7
163.11186	57.4
167.10666	19.3
169.08604	68.9
173.09595	4.3
181.12244	13.0
184.07405	1.3
185.11754	4.0
187.07953	0.8
191.08923	1.7
191.10677	28.3
191.78740	0.8
209.11746	33.9
227.12782	100.0
245.13873	3.3
255.12288	3.1
269.13812	9.8
271.13257	1.9
289.14227	6.3
307.15384	1.4
309.17038	1.4
311.14874	1.7
317.13834	3.3
335.14847	13.7
353.15973	44.9
371.17014	44.8
371.20908	0.7
389.18079	15.1
389.92255	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67753	0.7
52.60672	0.6
53.73655	0.7
55.05505	3.0
57.07076	35.1
64.17631	0.8
67.05487	1.1
69.07081	2.4
69.18746	7.1
71.08634	23.6
73.06567	7.9
73.37069	0.6
79.05507	0.8
81.07056	2.1
83.08619	2.9
85.09665	1.1
85.10183	20.8
85.31332	0.6
86.06041	0.9
87.04478	6.9
88.07658	0.8
89.06036	100.0
91.05495	1.4
91.07608	0.7
93.07078	1.6
95.04939	0.8
95.08652	1.4
97.10156	3.4
99.11728	3.8
101.05556	0.8
105.07062	1.5
106.69230	0.8
107.07069	0.8
107.08584	1.9
109.06556	0.9
109.10152	0.8
111.11722	0.7
113.13308	1.0
117.09149	5.9
119.08578	1.2
121.10146	0.8
130.08665	2.9
131.07057	2.7
131.08566	1.0
133.08611	49.9
134.10469	1.1
135.10207	1.0
145.10135	1.1
146.10670	0.8
155.17921	3.2
157.10168	1.1
157.64909	0.6
161.11797	1.2
167.10797	0.8
175.09663	1.3
177.11227	22.4
177.12708	1.4
184.07388	0.9
199.20598	3.1
221.13794	6.3
239.14915	1.2
240.23103	0.9
243.23170	11.5
265.16516	2.2
283.17554	2.0
287.25882	7.6
327.20166	1.4
340.35928	1.0
358.36896	0.9
371.23080	1.7
393.32452	0.9
415.25391	5.7
469.67703	0.8
472.82199	0.9
481.37384	1.2
490.10767	0.7
525.39996	1.0
532.00702	0.9
569.42499	12.9
586.44122	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	587.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.4
55.01876	5.7
55.05514	13.5
57.03440	5.1
61.02936	2.5
61.89164	2.4
67.05518	15.8
69.03432	18.3
69.07067	20.0
69.16646	6.2
69.17048	16.1
71.04983	9.6
73.02914	3.3
79.05508	18.2
81.03428	22.6
81.07063	46.3
83.04987	19.9
83.08631	5.4
85.02904	26.3
85.06546	7.6
86.09712	3.2
87.00834	6.3
91.05485	13.5
93.07052	42.6
95.04988	14.3
95.08618	40.3
95.09190	4.8
97.02899	14.6
97.06532	26.6
97.10185	2.7
99.04451	19.5
99.08073	3.7
105.01866	6.4
105.06384	4.4
105.07034	40.4
107.08609	30.9
109.02885	27.7
109.06540	26.8
109.10157	12.6
111.08096	17.4
113.00245	2.4
113.06012	3.3
117.06995	3.4
119.04981	2.3
119.08585	25.4
121.06520	48.1
121.10146	19.1
123.04414	3.3
123.08057	5.7
123.11722	11.1
125.06003	19.1
127.03925	36.4
127.07536	14.2
129.07019	4.7
131.08592	8.0
133.10126	26.1
135.08064	10.4
135.11703	6.4
137.05984	9.8
139.07552	14.6
139.11244	2.8
143.07027	16.3
143.08565	7.9
145.04964	8.4
145.08592	3.8
145.10150	13.6
147.08011	5.2
147.11685	42.5
148.97957	2.6
149.13280	15.6
151.07512	3.7
151.11168	5.3
155.08516	2.6
156.09375	2.8
157.08641	7.1
157.10158	17.0
159.02898	2.9
159.06557	6.5
159.11743	11.3
161.06023	3.8
161.09599	3.6
161.13277	17.4
163.11012	3.1
163.14839	9.1
165.05499	5.5
165.12775	11.3
167.10680	3.1
169.12216	14.9
171.11649	15.0
173.09596	4.0
173.13278	7.6
175.11195	24.5
175.14842	8.5
177.16393	10.0
181.10201	5.2
185.13237	2.5
187.06012	3.8
187.14766	5.8
189.12762	19.6
189.16373	2.9
193.12273	21.8
197.13338	3.7
199.11180	21.3
199.14806	5.9
201.16411	5.6
205.07095	3.2
207.13820	11.0
211.13313	20.7
211.15047	3.2
215.17905	5.4
217.12244	53.8
229.14400	12.7
231.05019	5.3
235.13307	78.2
245.08063	6.4
253.14383	100.0
255.21024	7.0
257.22635	4.7
267.21057	8.6
271.15375	17.1
273.22006	6.5
285.22269	13.7
289.16599	7.8
291.23288	13.1
300.10556	3.4
303.23267	18.6
309.24307	9.6
319.15247	2.6
321.24084	11.1
323.11459	2.8
339.25311	8.4
343.15396	3.4
361.16522	4.3
374.14508	2.9
379.17502	9.5
397.18765	18.0
401.20993	2.4
415.19659	5.3
458.72565	2.2
520.99292	2.3
551.64636	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	587.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.4
55.01866	8.2
55.05511	12.9
57.03429	9.5
57.07080	4.1
61.02921	5.6
67.05504	26.6
68.99795	4.2
69.03435	42.9
69.07074	29.7
69.99162	9.7
70.06582	2.9
71.05008	13.2
72.08164	3.4
73.02918	5.0
79.05504	23.9
81.03425	47.7
81.06592	5.1
81.07062	86.3
83.04983	23.2
83.08609	9.9
84.08115	3.3
85.02914	81.0
85.06531	11.7
86.09710	6.5
87.00837	28.7
91.05483	23.1
93.07051	73.0
95.04979	19.3
95.08611	66.8
97.02900	30.5
97.06532	32.7
99.04453	28.9
99.08079	5.8
105.01864	33.6
105.02497	3.6
105.07034	59.7
107.04971	7.8
107.08598	62.6
109.02888	44.3
109.06524	37.2
109.10151	35.5
111.04440	4.1
111.08084	24.6
111.11709	2.5
113.06026	5.1
115.07575	5.0
117.01862	3.0
117.07004	6.8
119.04963	3.9
119.08579	50.0
121.06513	48.6
121.10144	37.3
123.04468	4.7
123.08056	6.5
123.11702	19.3
125.05984	17.5
125.09634	4.0
127.03926	64.5
127.07585	22.3
129.01894	3.1
129.07033	5.5
131.08556	25.9
133.06456	3.3
133.10139	35.2
135.04424	4.9
135.08043	10.0
135.11682	19.5
137.05974	9.4
137.09642	4.5
137.13287	5.9
139.07545	18.2
139.11165	3.8
141.05457	2.6
141.06982	3.8
142.07793	4.6
143.07066	17.4
143.08534	16.1
145.04955	23.9
145.08632	7.6
145.10129	34.5
147.04364	3.8
147.08018	3.7
147.11699	76.7
149.09636	7.3
149.13257	38.9
151.07552	3.0
151.11172	11.1
153.09013	2.8
155.08543	7.4
156.09366	3.5
157.08698	5.4
157.10136	26.0
159.02890	11.1
159.06572	5.3
159.07999	5.3
159.10437	3.7
159.11707	34.6
161.05988	3.0
161.13283	28.6
163.11169	6.5
163.14873	26.8
165.05444	6.2
165.12741	17.8
167.10634	4.3
169.08794	3.9
169.10126	8.8
169.12253	19.4
171.11685	23.8
173.09563	2.9
173.13293	25.2
175.07533	4.3
175.11186	31.3
175.14828	20.8
177.12779	2.7
177.16368	16.0
179.14417	3.7
181.10164	5.4
183.11732	6.1
185.11755	6.9
185.13301	11.7
187.06023	6.9
187.11156	2.7
187.14838	12.9
189.12741	22.9
189.16356	7.6
191.14412	3.6
193.08568	2.6
193.12288	21.4
193.15900	5.8
197.13234	6.9
199.11186	21.0
199.12779	2.9
199.14809	13.1
201.16405	9.4
203.17998	4.1
205.15953	4.2
207.13768	12.4
209.15331	3.3
211.13278	21.7
211.14908	6.1
213.03943	3.4
213.16498	6.5
215.14322	3.2
215.18040	12.3
217.08777	2.9
217.12276	57.0
217.15968	2.6
225.16455	6.0
227.12804	2.6
227.17896	6.4
229.14185	13.0
231.05043	16.8
231.10161	3.2
235.13309	73.1
239.18097	4.1
241.19539	7.0
243.21109	6.0
245.07973	4.6
249.06079	4.2
253.14363	100.0
255.21130	27.6
257.22684	3.5
267.21103	23.0
271.15256	15.7
273.22119	28.5
285.22125	47.4
289.16434	6.3
291.23199	49.5
295.37582	2.8
300.10611	5.1
303.20215	2.4
303.23209	62.1
309.24200	18.1
321.24255	31.4
339.25186	16.4
373.14145	2.9
374.14258	7.2
379.17758	5.8
397.18536	15.3
415.19440	4.9
503.26328	5.0
521.27600	5.9
533.27197	3.1
539.28333	3.8
587.20758	4.2
587.29858	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	587.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58149	2.1
52.95432	2.4
53.03944	9.0
55.01874	7.5
55.05508	9.1
57.03441	4.3
57.07081	2.6
59.04993	2.7
67.05496	13.5
68.12770	2.2
68.99783	4.0
69.03439	19.5
69.07074	14.0
71.05008	5.8
71.53207	3.2
76.71368	2.2
79.05489	10.2
81.03420	14.9
81.07066	26.0
81.82939	2.6
83.04955	2.5
83.08627	6.7
85.02911	36.7
85.06555	3.7
87.00837	22.9
91.05493	8.3
93.07038	18.3
95.04992	4.2
95.08623	29.5
97.02884	28.1
97.06536	7.0
99.04461	6.5
99.08102	4.4
100.11288	4.0
105.01870	15.4
105.07027	16.9
107.08604	25.7
109.02885	21.9
109.06508	5.1
109.10171	32.8
111.08078	4.6
115.07552	3.2
119.08588	31.9
121.10148	27.9
123.04502	2.8
123.08053	3.8
123.11733	15.5
125.09652	5.0
127.03918	31.9
128.75870	2.3
129.01845	3.2
131.08582	7.9
133.10139	27.1
135.08060	5.0
135.11699	18.2
137.09622	4.5
137.13231	2.4
139.11151	3.0
143.08548	4.2
145.04996	12.9
145.10112	18.0
147.11731	18.2
149.09633	3.1
149.13315	7.3
151.11179	4.6
157.10150	6.0
159.02927	6.2
159.11697	24.0
161.09653	2.6
161.13292	14.2
163.11162	13.1
163.14893	4.5
165.12758	7.8
171.11635	4.2
173.13271	14.9
175.11215	6.2
175.14851	8.5
177.12764	24.5
177.16461	4.8
179.14310	2.3
183.11644	2.5
185.13292	7.1
187.14836	9.1
189.12816	3.5
189.16385	6.5
191.14383	5.1
193.15898	2.9
197.13326	3.4
199.14850	7.0
201.16377	5.5
203.14316	3.0
205.15904	20.8
206.16779	6.3
207.17560	2.9
211.14812	2.7
211.48546	2.2
213.03923	5.5
215.17995	4.0
217.15875	2.8
219.17421	3.1
224.77278	2.4
227.17972	7.1
229.15919	5.0
231.05080	7.2
231.17453	4.2
241.19521	3.3
243.21095	8.8
245.18863	3.9
255.13979	2.4
257.22733	4.5
261.22226	5.8
267.21121	7.1
273.22083	12.4
285.22147	44.3
291.23206	8.6
303.23184	52.0
321.24243	100.0
339.25293	8.2
352.31906	2.7
476.96283	2.3
497.26468	3.3
530.68811	2.6
533.26990	2.9
551.28613	3.2
569.31183	2.4
587.21124	2.5
587.31067	7.1
587.44958	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	587.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
55.01875	13.2
55.05299	1.7
55.05517	16.8
57.03439	2.6
57.07074	4.8
59.05005	1.5
59.92850	1.6
65.03936	2.2
67.05508	45.3
69.03414	2.7
69.07069	34.6
70.03354	1.6
70.98686	1.8
71.04980	5.5
71.08626	2.8
71.53463	2.6
74.19339	1.5
79.05492	36.5
81.03414	11.0
81.07059	51.1
83.04981	15.0
83.08623	8.8
85.02925	3.4
85.06550	3.5
91.05484	32.1
93.07047	58.6
95.04958	8.3
95.08611	45.4
97.06535	17.0
97.10151	8.8
99.04461	6.5
105.07027	21.2
107.04961	24.1
107.08600	39.9
109.06519	6.5
109.10156	17.4
111.04446	18.8
111.08059	5.3
111.11675	2.0
117.07026	11.4
119.08598	22.4
121.06524	5.6
121.09334	2.6
121.10155	28.8
123.08063	7.5
123.11696	4.8
123.76807	1.8
125.09630	4.6
129.07024	3.8
131.08560	16.3
133.10141	16.9
135.08070	8.1
135.11693	15.2
137.06021	1.9
137.09659	9.2
139.11192	10.4
142.07712	1.7
143.08563	5.1
145.10133	15.4
147.08099	2.4
147.11705	12.1
149.09621	20.5
149.12144	1.6
149.13152	7.8
151.07504	3.1
151.11244	2.1
153.09106	13.8
155.08592	3.3
157.10115	8.0
159.11702	9.8
161.09630	5.9
161.13280	4.9
163.11221	3.6
163.14769	4.1
165.09149	3.2
167.10667	3.1
167.14345	4.1
169.10127	3.1
171.11745	5.6
173.13235	7.8
175.11206	6.5
175.14783	4.0
177.12743	4.3
177.16428	2.0
179.10674	4.2
179.14270	2.4
181.10120	2.2
181.12245	1.9
183.11670	3.9
185.11664	1.7
185.13264	5.1
187.14731	2.3
189.12831	1.9
193.12204	4.4
195.13792	9.2
203.12788	6.7
207.13739	2.0
209.13187	2.0
211.15065	1.8
213.16415	2.7
213.31418	1.9
217.15915	2.1
221.15350	3.7
235.13220	2.0
243.21031	3.2
245.19020	4.3
257.19070	3.2
258.42523	1.7
261.22122	28.5
263.20148	3.2
273.18491	20.1
275.20078	9.4
276.20334	2.2
277.21655	23.1
279.23254	4.8
289.18097	2.9
291.19562	100.0
293.21106	3.7
295.22565	4.2
309.20630	14.9
357.27826	3.4
382.12756	2.2
385.30920	3.8
457.33066	2.1
503.36734	1.7
533.39709	5.9
551.41113	12.8
569.42218	21.4
587.42828	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	588.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13374	0.9
53.03941	1.5
55.01862	2.0
55.05511	7.7
57.03430	3.1
57.67323	0.9
59.04993	0.9
61.02921	3.1
67.05506	21.4
69.03439	7.9
69.07063	2.5
70.06585	4.2
71.01316	0.9
71.04985	1.6
71.51964	1.2
73.02908	2.2
79.05517	5.3
81.03426	25.3
81.07057	9.5
83.04979	8.5
83.08618	9.9
85.02373	1.1
85.02905	20.5
85.06521	1.6
86.09692	3.7
88.53265	0.8
91.03929	2.8
91.05494	9.0
93.07050	4.4
95.04974	9.3
95.08604	3.0
97.02903	12.2
97.06535	3.3
97.10163	3.0
99.04450	2.0
101.02348	1.2
105.07047	5.5
107.04949	2.4
107.08578	3.1
109.02853	3.0
109.06505	2.0
109.10159	17.2
111.04426	1.9
111.08087	5.3
116.07069	3.7
117.07027	0.9
119.08573	6.6
121.10171	1.9
123.08067	1.1
125.09635	1.1
127.03925	18.1
129.07004	3.8
131.08546	3.8
133.06483	0.9
133.10127	4.4
135.04463	1.1
137.05988	1.3
137.09631	1.9
137.68156	0.9
145.02905	1.0
145.04979	14.9
147.04474	1.1
147.11694	3.8
149.09636	2.5
155.10670	3.3
157.10129	5.2
163.03798	1.2
163.06044	5.8
173.11800	8.3
175.11188	7.1
177.05505	1.2
184.07370	2.5
193.12259	25.5
194.39830	1.0
211.13297	100.0
229.14362	40.0
247.13316	3.0
247.15480	1.0
265.14304	2.1
277.14288	2.3
289.09225	1.6
289.14343	1.9
301.14352	2.5
319.15320	3.1
337.16278	1.8
355.17542	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	588.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.9
55.01870	7.1
55.05518	3.4
57.03446	6.9
61.02931	6.3
64.64698	1.5
67.05521	6.8
68.99782	4.7
69.03435	36.6
69.07069	6.9
71.04984	5.5
71.52316	1.4
73.02918	5.5
79.05499	7.5
81.03426	30.5
81.07066	18.3
83.08611	2.4
85.02912	100.0
87.00838	47.4
91.03969	1.6
91.05498	2.8
93.07047	12.3
95.04975	1.1
95.08606	13.0
97.02898	34.5
97.06542	1.8
97.10182	2.3
99.04453	16.5
105.01873	70.3
105.07034	11.9
107.08614	16.3
108.95726	1.2
109.02887	29.2
109.10168	14.6
111.11750	2.1
117.01868	2.5
117.07014	1.8
117.16917	1.1
119.08588	15.3
121.10156	14.6
123.08060	1.3
123.11705	10.0
125.09642	4.0
127.03925	77.6
129.01846	4.3
131.08563	5.8
133.10129	8.2
135.11708	6.1
137.13286	2.2
137.19469	1.3
139.11176	3.5
141.07036	1.3
143.08542	3.3
145.04968	28.5
145.10127	8.6
147.02893	2.4
147.11699	17.4
149.13263	14.8
155.08490	1.4
157.10147	3.6
159.02899	16.1
159.11696	9.1
161.13269	27.4
163.03915	1.4
163.14854	17.9
163.31334	1.4
163.34743	1.3
165.12772	5.1
171.11679	4.1
173.13234	7.5
175.14882	4.1
177.12816	1.5
179.14304	13.7
185.13290	5.8
187.14844	5.0
189.04025	2.0
189.16486	3.2
191.14264	1.7
199.14833	8.2
201.16328	2.8
201.25673	1.3
203.14377	4.2
213.03975	6.6
213.16364	7.2
227.17902	2.7
229.19624	5.6
231.02740	2.3
231.05023	41.4
234.06657	1.2
241.19418	1.7
243.21111	7.7
245.22614	2.2
249.06081	15.8
257.22675	2.0
259.09726	2.7
259.24185	2.0
269.22659	48.8
269.25562	2.7
271.24191	8.9
285.22202	2.7
287.23709	75.5
305.24783	60.0
323.25830	3.0
329.24829	1.8
371.26059	1.3
377.24673	1.7
395.25784	2.0
409.85223	1.4
481.25735	2.0
499.26678	7.1
517.28009	11.4
535.29089	23.6
553.30554	1.9
588.30975	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71144	1.0
52.95179	0.8
53.03947	6.7
55.01874	6.7
55.05506	3.0
57.03447	6.4
57.07074	1.5
61.02919	4.7
67.05511	8.4
68.99794	2.8
69.03435	41.5
69.07069	6.3
69.26665	9.5
71.04997	6.2
73.02923	5.8
79.05486	4.3
81.03427	26.9
81.07060	15.2
83.08604	2.3
85.02911	100.0
85.39356	1.0
87.00837	49.1
87.04474	1.2
91.03953	2.9
91.05491	4.7
93.07056	10.8
94.62943	1.1
95.04981	1.7
95.08613	13.6
97.02299	2.1
97.02900	35.1
97.10168	1.6
99.04461	17.8
101.02406	1.5
105.01873	56.3
105.07025	11.0
107.08601	13.5
109.02888	32.1
109.10162	14.6
111.04430	1.5
111.11712	1.9
117.01857	3.2
117.07046	2.6
119.08593	11.7
121.10171	11.6
123.11732	11.0
125.09651	1.5
127.03927	75.3
129.01808	2.5
131.08559	5.3
133.10133	5.6
135.11684	6.6
135.46805	1.0
137.13258	1.1
139.11153	3.2
143.08566	2.6
145.04973	26.7
145.10159	7.1
147.02946	2.1
147.11710	15.8
149.13283	10.5
157.10204	4.9
159.02908	11.8
159.11749	6.6
161.13277	14.4
163.14828	13.2
165.12747	4.2
171.11646	4.5
173.13310	6.3
175.14836	3.4
177.12775	2.6
179.14331	7.4
184.07372	1.3
185.13271	6.0
187.14842	8.6
189.03976	2.8
189.16454	2.5
191.14307	2.9
199.14835	7.0
201.16379	3.2
203.14392	1.7
203.17935	1.4
205.15875	2.4
213.03944	4.5
213.16397	9.5
217.15858	2.0
227.17944	3.5
229.19510	4.2
231.05013	30.6
241.19427	1.9
243.21120	3.9
245.22691	1.9
249.06059	9.7
257.22592	1.9
259.24265	2.4
267.21030	1.8
269.22662	45.6
271.24173	4.0
285.22079	1.4
287.23709	55.9
303.23361	1.7
305.24747	46.8
323.25781	4.0
378.99066	1.1
413.26959	1.4
499.26907	3.8
517.28143	6.3
535.28998	12.8
553.29608	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13008	0.7
53.03942	2.2
55.01876	2.1
55.05521	4.3
57.03439	2.6
57.49083	0.7
59.74949	0.7
60.93412	0.9
61.02916	2.0
65.03914	1.5
67.05512	8.8
68.99795	1.0
69.03432	8.5
69.06738	1.0
69.07075	9.2
70.06126	2.2
71.04989	1.7
73.02911	1.6
79.05504	9.8
81.03431	8.4
81.07060	27.7
83.08618	3.2
85.02911	24.6
86.09717	1.0
87.00836	10.8
91.05477	6.3
93.06495	1.2
93.07052	18.6
95.04960	1.3
95.08610	22.8
97.02895	7.2
97.06519	2.2
97.10162	3.4
99.04490	3.8
105.01875	18.4
105.07026	14.4
105.07692	1.1
107.08598	24.0
108.04432	1.2
109.02892	8.1
109.06516	1.1
109.10164	21.3
111.11707	3.3
117.01839	0.9
117.07014	2.0
117.55102	0.9
117.83939	0.7
119.08582	14.1
120.20390	0.9
121.10150	19.5
123.08067	1.9
123.11730	8.1
125.09611	2.8
126.05560	0.8
127.02985	1.0
127.03928	17.6
129.01801	0.9
129.07031	2.0
131.08568	8.1
133.10124	8.8
135.11719	10.3
137.09639	2.0
137.13257	2.5
137.68538	0.8
139.11191	6.3
140.95259	0.9
143.08528	5.5
145.04959	8.3
145.10141	11.0
147.11681	10.4
149.09578	1.9
149.13269	24.6
151.11168	0.8
157.10150	5.8
159.02905	3.9
159.11696	8.4
161.13278	8.9
163.11206	2.1
163.14838	22.3
165.12820	0.9
170.10947	0.8
171.11719	4.0
173.13264	9.5
175.14766	6.4
177.12799	1.3
177.16382	1.5
179.14366	1.2
185.13235	4.2
187.14804	6.2
189.16396	5.5
191.14290	3.2
191.18053	0.9
199.14857	7.3
201.16399	3.3
203.14297	1.8
203.18054	1.4
205.15855	2.4
209.15297	1.2
213.03940	1.2
213.16386	8.8
215.17891	1.1
217.15874	2.6
217.19479	1.8
227.17928	3.0
229.19571	5.6
231.05013	8.5
231.17471	3.4
231.21101	1.0
241.19524	1.9
243.21094	5.1
245.22647	7.6
248.07883	0.9
249.06096	3.9
257.22681	2.7
257.35474	0.9
259.20456	0.9
259.24203	2.4
269.22656	31.9
287.23694	58.2
304.23300	1.1
305.24762	100.0
322.24316	1.1
323.25946	1.3
491.77127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
53.22983	0.5
55.01864	1.8
55.05509	4.4
56.25888	0.4
57.03432	2.8
57.07074	1.9
57.99334	0.5
61.02920	2.2
62.68094	0.5
64.56226	0.5
65.03922	0.8
67.05503	9.6
68.99792	1.0
69.03426	10.4
69.07072	10.7
70.05468	0.8
70.05812	2.5
70.06574	0.9
71.04989	1.5
73.02903	2.1
75.04505	0.7
78.55179	0.5
79.05494	10.4
81.03415	8.1
81.07055	30.9
83.04974	1.2
83.08611	4.5
84.04568	0.5
85.02907	26.6
87.00832	12.3
91.05474	7.6
93.07045	25.3
95.04960	1.6
95.08608	25.6
97.02294	1.0
97.02893	9.2
97.06513	1.8
97.10181	3.1
99.04474	3.8
105.01324	0.4
105.01865	15.9
105.07030	14.8
107.08594	27.1
108.04473	1.6
109.02866	7.0
109.06508	1.1
109.10164	18.1
111.08112	1.6
111.11696	3.3
117.01892	1.0
117.07015	3.8
119.08581	13.6
121.06479	0.8
121.10145	22.1
123.08096	1.4
123.11729	6.8
125.09612	2.9
126.05553	0.7
127.03916	18.6
128.06201	0.8
129.01842	0.9
129.06987	2.1
131.08575	9.5
133.10135	11.0
135.11691	11.2
137.09621	1.5
137.13251	3.2
139.11166	6.0
142.07759	1.1
143.08549	7.1
144.09329	0.7
145.04965	7.3
145.10129	11.8
146.44901	0.5
147.02927	0.6
147.11681	11.2
149.09660	0.9
149.13266	29.5
150.88496	0.5
151.11185	0.7
151.14799	1.1
157.10136	6.5
157.12207	1.4
159.02904	3.8
159.11711	10.6
161.13264	10.9
163.11177	1.6
163.13435	1.3
163.14818	27.1
165.12794	0.8
169.10127	0.8
170.10802	0.7
171.11710	6.6
173.13255	9.9
175.14825	6.5
177.12790	1.9
177.16383	2.1
179.14301	1.0
185.13258	5.9
187.14801	7.4
189.03920	0.7
189.16402	5.2
191.14278	5.6
191.17900	0.8
199.13045	0.9
199.14807	8.6
201.16423	3.9
203.14389	1.8
203.17961	2.2
205.15886	1.5
209.15369	3.1
213.04004	0.9
213.16371	10.3
215.17992	2.0
217.15900	4.2
217.19389	1.3
221.15277	1.0
223.16910	0.9
227.17961	4.2
229.19559	7.6
231.05003	6.5
231.17422	2.9
231.21083	1.2
235.16942	1.1
241.19504	2.4
243.21072	4.5
245.18948	1.0
245.22665	6.4
249.06091	3.6
249.18364	0.7
257.22705	2.2
259.21671	0.5
259.24210	3.2
269.22644	33.8
271.24094	0.9
287.23694	52.5
305.24744	100.0
306.25055	0.6
323.25702	1.5
385.51517	0.6
517.28088	0.7
535.29132	1.0
588.29388	2.2
600.23737	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
53.26522	1.5
55.01855	4.9
55.05521	14.3
57.03427	2.9
57.07064	3.4
66.98015	1.8
67.05506	24.6
69.07071	41.3
69.14684	1.6
71.04984	3.6
71.08609	2.7
71.27947	3.1
74.58810	1.5
77.53194	1.6
79.05499	32.9
81.03417	4.9
81.07059	33.6
83.04990	5.6
83.08614	5.9
85.06521	2.4
91.05491	29.8
93.07050	42.0
95.04980	17.8
95.08593	19.7
97.06567	9.1
97.10162	6.0
103.20992	1.7
105.07025	30.2
107.04958	23.3
107.08596	20.9
108.98220	1.8
109.06497	2.1
109.10149	6.4
117.07056	9.6
119.08588	22.6
121.06458	3.0
121.10146	20.9
123.08067	3.9
123.11726	3.2
129.07062	2.1
131.08583	14.1
133.10135	19.5
135.08052	18.5
135.11670	4.0
139.11197	11.6
143.08543	2.9
145.10117	12.0
147.11708	7.6
149.09627	5.9
149.13182	3.1
151.11206	3.1
157.10106	1.9
159.11649	6.6
161.13199	2.9
163.11183	2.5
173.13220	4.9
177.12750	2.5
183.11674	3.2
183.92061	1.7
184.07343	2.6
203.12802	12.3
207.13704	3.0
219.13689	2.1
237.14835	18.4
247.20558	3.5
257.19049	9.0
272.65790	1.8
275.20078	100.0
277.21649	3.7
293.21124	84.1
433.59918	1.8
452.25494	1.7
476.05832	1.8
588.47021	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	589.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.7
55.01865	7.1
55.05519	13.7
57.03434	3.3
57.07077	2.2
62.48949	2.1
63.96135	1.8
65.03940	2.0
67.05513	25.5
68.99783	2.8
69.03436	17.9
69.07071	13.5
70.09884	7.9
70.10275	4.2
71.04998	5.9
73.02903	3.6
79.05493	15.2
81.03422	14.3
81.07062	51.9
83.04967	5.0
83.08611	7.3
85.02914	32.6
85.06591	2.7
87.00834	21.1
91.05470	13.8
93.07056	33.4
95.04951	5.7
95.08611	76.0
97.02890	17.8
97.06511	6.3
97.10159	9.8
99.04447	7.0
99.08117	3.4
99.97462	2.1
105.01856	15.6
105.07056	26.1
107.08598	39.1
109.02878	15.4
109.06541	2.8
109.10165	100.0
111.08068	4.2
115.07586	4.1
117.07009	3.5
119.08585	34.2
121.10148	68.3
123.08015	2.4
123.11713	18.0
125.09630	4.3
127.03931	22.4
131.08569	12.1
133.10135	21.8
135.11697	24.1
137.09656	2.5
137.13228	3.6
141.09079	3.6
143.08559	7.3
143.10680	5.5
145.04976	12.6
145.10144	15.8
147.11703	24.4
149.13268	26.3
151.11209	2.7
155.10742	2.5
157.10127	6.8
159.02858	7.6
159.11711	15.5
161.13281	23.2
163.03911	5.5
163.14810	16.4
165.12727	2.2
171.11722	6.4
173.13255	16.6
175.14880	13.2
177.12759	2.8
177.16397	11.0
179.14351	4.5
184.07359	3.1
185.13228	8.5
187.14822	15.0
189.16391	35.4
191.14383	4.9
191.17950	15.3
193.15944	4.5
197.13222	2.4
199.14789	9.0
201.16344	9.3
203.17979	6.0
207.17461	20.5
209.15376	3.6
213.16434	11.8
215.17894	3.3
217.19466	11.1
227.17963	4.6
229.19556	6.3
231.05017	5.5
231.17410	5.8
241.19536	3.5
245.22580	3.4
249.06026	2.1
257.22675	14.5
259.24191	3.3
267.21164	2.3
269.22696	50.8
271.24146	5.4
275.23782	17.2
287.23682	55.7
293.24725	13.8
305.24774	52.5
323.25897	18.5
408.84760	2.2
517.27924	3.1
523.28754	2.8
535.28668	4.9
571.32764	2.9
589.16888	2.8
589.25983	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	589.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.01873	2.7
55.05510	18.8
57.03428	3.1
57.07072	4.5
59.05012	1.0
65.03933	2.5
67.05507	24.7
68.99780	0.9
69.03433	15.4
69.07073	35.3
71.05006	5.3
71.08619	1.2
71.22715	1.1
71.23042	1.4
73.02914	1.0
77.37802	0.9
79.05499	18.7
81.03422	18.4
81.07060	100.0
83.04984	5.7
83.08620	11.1
85.02431	1.4
85.02909	16.7
85.06557	7.7
87.00826	6.3
91.05478	10.9
93.07050	41.8
95.04976	4.6
95.08612	81.6
97.02888	9.1
97.06544	11.9
97.10183	16.1
99.04473	7.4
99.08086	2.8
101.05990	1.5
103.03941	1.4
105.01873	4.7
105.06392	1.8
105.07037	19.5
107.04952	1.2
107.08601	44.2
109.02880	16.5
109.06516	4.2
109.10161	32.8
111.04424	2.1
111.08096	13.8
111.11732	6.9
113.09661	0.9
115.07584	1.3
117.03341	2.3
117.07021	2.2
119.08583	17.3
121.06507	2.9
121.10153	28.0
123.08097	2.3
123.11714	40.2
125.05931	1.2
125.09632	3.8
127.03909	18.6
127.07573	1.0
129.06999	1.2
131.08585	6.1
133.06473	1.4
133.10144	12.6
135.04507	1.3
135.08058	3.3
135.11693	20.7
137.09656	2.1
137.13269	15.9
139.10240	1.4
139.11206	12.0
141.12692	2.3
143.08571	1.5
143.10699	2.2
145.02834	3.9
145.04977	4.4
145.10129	7.2
147.11710	13.0
149.09604	1.7
149.12059	2.1
149.13260	42.9
151.11160	5.9
151.14816	3.3
153.12718	5.8
155.08502	1.1
155.14307	2.9
157.10129	3.6
157.12233	11.1
159.08031	1.6
159.11661	8.1
161.09674	1.1
161.13249	9.9
163.03961	2.1
163.11224	2.2
163.14836	12.7
165.12778	2.0
167.14360	2.9
169.12204	3.7
171.11668	1.9
171.13800	2.1
173.04311	1.8
173.09636	2.6
173.13268	6.3
175.14822	5.4
177.05496	9.2
177.12767	1.5
177.16432	4.8
179.14308	1.8
183.11700	1.2
185.09627	1.2
185.13281	1.7
187.05978	1.4
187.11224	3.1
187.13268	5.7
187.14888	3.7
189.16370	10.6
191.14325	2.2
191.17943	5.3
193.15904	1.6
195.13838	1.3
199.14778	2.1
201.12706	1.3
201.16426	3.8
203.12730	3.2
203.14397	1.4
203.18033	1.7
205.15927	1.5
207.17458	12.0
209.13402	1.1
209.15384	3.8
211.14958	1.2
213.03943	5.9
213.12872	0.9
213.16370	3.8
215.10648	3.1
215.17882	1.4
217.19504	3.3
219.17282	0.9
221.15323	2.0
221.19171	1.2
222.87326	1.1
223.16924	2.7
227.18002	1.5
229.12285	1.6
231.04961	6.3
231.17503	2.6
233.11726	1.1
235.16875	1.8
235.20660	1.3
237.18457	2.2
243.21045	3.2
249.06129	1.1
249.18433	3.6
253.18263	1.2
259.24243	1.2
269.22650	9.4
271.24005	1.3
275.23764	1.9
277.25305	3.0
287.23700	12.7
293.24753	6.8
303.23425	1.5
305.24771	49.3
307.26324	1.1
311.25662	1.1
323.25809	16.8
341.26889	1.5
367.26199	1.0
395.25845	2.1
413.26965	2.2
431.27988	2.5
449.28979	1.2
517.27905	2.3
523.28906	2.9
535.28717	3.9
553.29993	2.2
589.22443	10.7
589.30884	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	589.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.3
55.01869	5.7
55.05526	11.2
57.03433	5.9
57.07072	3.2
61.02915	3.8
67.05508	11.0
68.56760	1.8
68.99783	3.0
69.03094	2.2
69.03432	21.4
69.07079	16.1
69.24083	3.9
69.24488	12.8
71.04992	5.8
73.02921	4.0
73.06570	2.0
79.05499	10.5
81.03424	22.8
81.07060	28.0
83.08627	13.9
85.02905	57.6
87.00830	24.8
91.05470	5.3
93.07046	23.2
95.04967	4.6
95.08607	43.4
97.02900	26.1
97.06490	2.6
97.10156	5.2
99.04452	7.1
99.08106	5.6
105.01864	25.4
105.07037	29.0
107.04960	1.9
107.08588	36.3
109.02879	22.9
109.10156	30.1
111.08059	2.1
111.11662	2.7
115.07574	2.8
117.01826	3.2
119.07793	3.4
119.08578	31.0
121.10140	36.9
121.85744	1.9
123.11706	12.7
125.09618	3.6
127.03925	43.2
131.08575	9.4
133.10143	33.5
134.13223	1.8
135.11722	21.1
137.13268	5.0
139.11230	2.4
143.08531	5.2
143.10643	9.8
145.04956	14.2
145.10112	15.5
147.11691	25.3
149.13254	16.6
151.11223	2.5
153.12752	1.9
157.10155	9.0
159.02872	7.6
159.11696	23.7
159.34065	1.7
161.13271	24.0
163.14839	25.4
165.12764	2.0
171.11732	6.9
173.13237	13.2
175.14848	12.5
177.12779	2.6
177.16389	17.2
179.14296	3.9
183.11656	2.0
185.13249	8.0
187.14804	15.6
189.16388	42.4
191.14339	3.8
191.17943	21.1
199.14803	9.6
201.16347	10.7
203.14232	2.7
203.17955	6.4
205.15862	10.1
207.17441	50.7
209.15379	6.9
213.03937	4.7
213.16348	11.7
215.17961	2.5
217.19516	17.3
221.15373	4.3
225.16466	2.5
227.17929	4.8
229.19510	5.1
231.04950	10.7
231.17326	3.0
241.19426	3.1
243.11621	1.9
243.21045	12.6
245.22641	7.8
249.06017	4.7
257.22662	3.8
259.24268	3.5
269.22623	49.1
271.24084	4.4
287.23682	60.2
287.26892	3.4
303.23004	2.5
305.24734	100.0
306.24997	3.2
323.25784	9.7
333.63199	2.0
337.40005	1.9
499.61710	2.1
509.33273	2.2
517.27838	3.1
535.29407	2.4
553.29938	2.6
589.29877	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	589.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
55.01869	6.6
55.05513	21.5
57.03427	8.1
57.07055	2.7
59.18939	2.3
61.02925	5.5
67.05512	15.3
69.03434	35.0
69.07070	27.5
70.47705	6.2
71.04977	5.4
73.02911	6.3
79.05505	12.6
81.03425	29.4
81.07060	36.7
83.05001	4.1
83.08622	15.9
85.02908	76.6
85.06529	3.0
87.00839	40.0
87.04469	2.8
91.05478	14.3
91.27827	2.2
93.07044	32.9
93.51478	2.2
95.04937	3.6
95.08609	44.4
97.02900	45.2
97.03500	1.6
97.06520	5.3
97.10166	7.0
99.04456	14.0
99.08086	7.0
105.01876	37.8
105.07040	29.4
105.61356	2.8
107.08608	47.2
109.02883	31.1
109.10152	34.6
109.94788	2.1
115.07552	7.8
116.79740	2.3
117.07011	5.7
117.09119	3.9
119.08585	49.1
121.10157	39.6
123.04436	3.0
123.11722	13.1
127.03931	62.0
128.04294	2.6
129.01865	4.5
131.08559	9.3
133.10114	32.4
135.11682	26.4
137.09601	2.8
137.13222	5.7
139.11266	3.3
143.08578	5.8
143.10669	9.2
145.04979	18.1
145.10130	22.3
147.11693	31.4
149.13243	13.2
157.10182	12.8
159.02872	12.1
159.11699	32.2
161.13275	30.0
163.11140	2.7
163.14827	36.0
171.11676	9.5
173.04419	4.0
173.13293	18.1
175.14867	16.0
177.12750	3.8
177.16382	13.2
179.14331	8.5
185.13251	7.0
187.14867	12.9
189.16396	41.9
191.14302	7.3
191.17986	22.5
195.13884	2.5
199.14828	12.5
201.16415	14.4
203.14349	3.6
203.17969	7.4
205.15892	8.3
205.19560	2.4
207.17455	38.6
209.15324	8.6
213.03879	3.3
213.16348	16.0
215.17975	4.3
217.16013	2.7
217.19527	21.1
221.15430	5.8
227.17928	10.0
229.19545	10.1
231.04945	11.9
231.10193	2.6
241.19527	3.6
243.21112	12.4
244.92561	2.6
245.22668	4.0
245.55618	2.4
249.06003	4.9
257.22742	6.7
259.24197	6.1
269.22647	64.0
271.24207	5.1
275.23804	3.8
287.20624	5.0
287.23706	71.2
288.24045	4.1
305.24771	100.0
305.28250	5.5
306.24908	3.5
323.25797	7.1
468.24512	2.6
497.88669	2.5
517.27631	6.8
589.23505	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.05511	17.0
57.03440	10.6
57.07079	39.0
58.60538	0.9
58.70950	1.0
64.00412	0.9
65.03948	2.5
67.05508	36.6
69.07071	17.8
69.81264	5.0
71.04984	2.3
71.08634	26.8
79.05497	33.2
81.03415	0.9
81.07062	43.5
82.65522	1.0
83.04966	1.7
83.08618	16.1
85.06540	1.3
85.10191	13.5
87.49685	0.8
89.06036	2.1
91.05484	47.2
93.07048	41.4
93.07642	1.9
95.04984	3.2
95.08610	40.6
97.06513	2.0
97.10167	7.1
98.21431	1.3
99.08105	2.6
103.07595	1.3
105.04546	1.0
105.07036	54.3
107.08592	22.8
109.06488	1.2
109.10159	18.3
111.11775	1.9
113.09599	1.5
115.05438	1.7
117.07016	13.2
119.08585	38.8
121.10151	15.5
123.08102	1.1
123.11745	4.6
128.06238	2.3
129.07005	7.9
130.07803	1.8
131.08577	17.3
133.10135	37.8
135.08099	1.4
135.11702	17.0
137.09607	1.3
137.13252	1.9
143.08592	7.8
145.10136	19.2
147.10504	2.2
147.11694	40.2
149.09604	2.1
149.13255	10.2
151.14766	1.1
157.10110	7.3
159.11714	16.4
161.13255	28.8
163.11197	1.2
163.14818	2.7
171.11702	12.9
173.13290	10.1
175.11200	1.3
175.14850	10.8
177.12846	1.7
185.13243	9.5
187.14886	3.1
189.12859	1.2
189.16382	1.1
199.14828	5.3
201.16371	1.1
208.50809	1.1
213.16447	1.8
215.17915	1.6
217.19377	1.1
231.17453	1.3
231.21085	8.5
239.23668	4.5
241.19514	35.7
243.20985	1.1
246.68777	0.9
257.24747	1.8
259.20587	92.3
261.22189	1.1
275.20016	1.7
277.21570	2.7
311.25668	1.5
313.27371	100.0
315.23215	7.4
321.20572	0.9
333.24249	57.1
335.25919	1.8
349.24045	0.9
351.25336	1.4
497.43533	2.4
571.47284	11.2
589.48468	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	589.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
53.50461	1.2
55.01867	1.9
55.05512	17.3
55.64019	1.2
57.03247	1.0
57.03439	11.0
57.07076	42.5
65.03928	2.5
67.05508	39.5
69.06738	1.4
69.07069	19.8
71.05001	3.5
71.08631	29.7
71.13126	3.2
75.15462	1.2
79.05496	38.3
81.03410	2.8
81.07054	45.7
83.04969	3.8
83.08619	12.3
85.06538	2.4
85.10187	14.7
89.06025	2.9
91.05482	44.7
93.07048	39.9
95.04941	3.0
95.08611	46.1
97.06515	2.4
97.10179	8.0
99.08070	3.5
103.07560	2.6
105.07033	50.9
107.08591	23.2
109.06492	2.5
109.10159	17.8
111.08086	2.3
117.07033	11.6
119.08582	48.8
121.06600	1.5
121.10141	17.4
123.08091	1.7
123.11691	4.5
128.06209	2.3
129.07001	9.7
131.08575	16.7
133.10129	38.0
135.11708	15.8
137.09647	1.6
137.13286	1.9
143.08565	7.8
145.10133	16.6
147.11690	37.5
149.09563	2.1
149.13266	9.5
151.11198	2.0
157.10150	8.2
159.11673	14.4
161.13261	36.7
163.11177	1.5
163.14801	2.9
171.11649	11.5
173.13251	11.7
175.14832	16.1
177.12866	2.2
177.28134	1.4
179.14423	1.6
184.07315	1.7
185.13280	8.2
187.14857	3.6
189.12701	2.6
199.14868	7.0
213.16339	2.8
215.18082	1.6
217.19481	3.2
221.56187	1.3
229.56577	1.4
231.21060	10.8
239.23679	5.8
241.19502	43.8
259.20584	100.0
267.15823	2.7
277.21625	5.2
313.27356	97.7
315.23257	7.3
333.24225	53.4
351.25241	2.3
369.22565	1.3
479.42325	1.4
571.47400	10.0
589.48462	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	589.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.6
55.05516	18.0
57.03431	10.7
57.07077	45.6
57.57115	2.6
65.03951	2.6
67.05503	45.8
69.07072	19.0
69.26356	9.7
69.26782	12.5
69.64548	2.5
71.08636	32.9
75.63703	2.5
79.05492	35.3
81.07063	41.7
83.08632	20.2
85.06549	5.6
85.10171	14.7
91.05477	48.3
93.07050	38.9
95.04963	3.3
95.08608	46.5
97.10155	5.2
105.07033	61.1
107.08602	25.1
109.10167	14.5
111.11704	2.6
117.07018	13.8
119.08577	43.1
121.10148	15.6
123.11695	4.4
129.07057	8.3
131.08568	22.0
133.10132	40.4
135.11699	20.0
139.09828	2.9
143.08536	6.0
145.10120	20.0
147.11694	37.7
149.13245	13.2
157.10136	6.7
159.11684	17.6
161.13245	31.2
163.14891	3.3
171.11699	12.7
173.13266	10.6
175.14848	13.8
177.12784	2.9
185.13292	11.7
187.14870	4.3
199.14783	6.3
231.21085	11.4
239.23627	5.0
241.19519	44.3
259.20581	100.0
277.21701	3.2
313.27377	94.3
315.23172	6.9
333.24225	57.4
346.95581	2.4
497.43729	3.0
532.12268	2.6
536.60815	3.3
571.47003	9.7
589.40997	3.5
589.48376	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	590.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
54.42518	0.3
55.05517	4.9
57.03442	5.4
57.07068	0.5
62.06086	0.6
63.77650	0.3
65.03925	0.9
67.05508	23.6
69.06746	0.5
69.07076	5.8
69.95972	0.7
69.96358	0.8
71.04981	0.6
78.70048	0.3
79.05498	11.7
81.07064	20.3
83.04988	0.7
83.08621	2.2
85.06499	0.4
86.56240	0.3
91.05489	5.5
93.07052	13.1
93.07641	0.7
95.04962	0.9
95.08615	18.5
97.06542	3.2
97.10180	0.9
98.21461	0.3
98.98427	0.5
105.07045	3.1
107.08606	6.8
109.10163	6.1
114.09177	0.8
117.07019	1.3
117.74421	0.3
119.08582	2.9
121.09343	0.4
121.10153	5.4
122.09672	0.4
123.08104	0.3
123.11706	1.1
131.08566	1.7
133.10114	2.2
135.11687	2.4
140.10663	0.7
142.01653	0.3
142.02670	3.5
145.10123	1.1
147.11690	1.0
149.09636	0.4
149.13281	1.1
159.11673	0.6
161.13261	1.0
173.13307	0.4
175.14792	0.3
187.14973	0.4
198.05312	0.5
216.06374	0.7
238.08522	0.4
256.09488	0.4
261.22247	0.7
264.79626	0.3
304.26343	1.5
335.25818	100.0
336.26074	0.7
344.80139	0.3
367.52487	0.3
378.87692	0.3
433.74377	0.3
433.79605	0.3
458.26657	0.8
476.27902	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	590.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65273	0.3
53.03937	1.0
55.01852	0.3
55.05516	4.9
57.03193	0.5
57.03441	5.1
57.07070	0.5
62.06100	0.4
65.03937	0.7
67.05510	22.9
69.06730	0.5
69.07073	6.1
70.06591	0.3
70.91837	0.6
71.04982	0.7
71.93797	0.3
79.05498	11.8
81.07059	20.0
83.05000	0.8
83.08634	2.0
85.06564	0.5
86.09722	0.6
91.05486	6.3
92.49035	0.4
93.07050	13.2
95.04985	1.0
95.08615	15.2
97.06541	4.3
97.10174	0.5
104.10702	0.5
105.07039	3.2
107.08606	5.8
109.10153	6.0
111.08118	0.4
112.11167	0.5
114.09165	1.5
117.07021	0.7
119.08587	2.3
121.10145	5.2
122.09669	0.6
123.08109	0.6
123.11743	1.6
125.09664	0.4
131.08575	2.1
133.10110	2.2
135.11726	2.8
140.10686	1.2
142.02673	2.8
145.10136	1.1
147.11641	1.1
149.13229	0.5
158.11714	0.9
159.11812	0.8
161.13268	0.5
163.14792	0.6
173.13286	0.8
184.07350	1.5
185.07541	0.3
186.07893	0.4
193.61890	0.4
212.06798	0.4
216.06319	0.6
238.08368	1.4
256.09485	0.6
261.22058	0.6
304.26257	1.4
315.14606	0.3
322.13596	0.3
335.25812	100.0
336.26169	0.8
458.26694	0.4
476.27850	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09388	1.3
55.01876	2.3
55.05508	5.1
57.03436	7.5
57.07079	22.1
62.53759	1.3
67.05510	22.4
69.07073	6.0
69.24294	14.0
71.04999	2.2
71.08633	17.7
79.05489	6.2
80.13811	1.3
81.03389	1.5
81.07056	15.6
83.04976	4.7
83.08616	6.8
84.63242	1.4
84.96632	1.4
85.06547	4.2
85.10183	12.3
85.31052	1.5
89.06037	1.9
91.05481	20.9
93.07022	7.3
95.04967	3.5
95.08612	15.1
97.06532	2.0
97.10162	4.4
100.96207	1.6
105.07033	17.4
107.08587	12.2
109.06533	2.1
109.10162	28.5
113.05956	2.3
114.84123	1.4
117.07023	1.8
119.08612	3.7
123.11703	5.0
133.10127	49.7
143.08578	2.8
151.11192	26.9
161.09615	12.3
169.12228	4.7
174.98097	1.4
179.10693	11.3
183.83736	1.8
197.11728	3.9
199.44168	1.5
207.89525	1.5
215.12813	14.8
239.23746	2.1
253.14383	18.9
257.24707	1.7
267.16034	2.6
271.15274	4.4
299.14944	4.4
313.27368	100.0
317.15942	71.9
323.04309	1.5
341.26782	2.4
509.38275	6.3
555.38898	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.3
57.07049	5.7
59.39197	2.7
60.71851	2.9
67.05506	28.3
69.07074	13.7
69.74216	2.4
71.08615	7.9
71.25684	5.5
79.05479	10.5
81.03415	11.0
81.07059	21.7
82.67090	2.5
83.08601	5.6
89.06036	2.7
91.05483	7.2
91.42310	2.7
93.07056	15.2
94.99239	2.8
95.04971	6.6
95.08611	19.1
97.06497	3.3
97.10141	3.8
99.08081	4.4
105.07034	9.6
107.08585	11.5
109.10184	16.2
117.07058	3.2
119.08572	8.9
121.10138	11.4
123.11703	3.0
133.10133	8.7
135.11722	6.1
137.09613	9.0
138.05812	2.9
139.11160	2.9
147.11644	5.5
149.13251	5.4
151.11165	10.5
179.14267	3.4
198.53409	2.9
241.19571	5.3
277.21649	71.2
277.24750	3.5
278.22037	3.4
293.21246	3.2
295.22684	100.0
560.99219	3.1
590.48431	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	591.2604
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
53.02204	0.2
55.05505	0.9
62.73322	0.2
66.96627	0.2
67.05514	1.9
69.07069	0.7
69.20322	0.8
69.20747	1.0
73.48683	0.2
79.05511	0.7
81.07056	1.6
82.92477	0.2
83.08604	0.4
91.05488	0.5
93.07047	0.9
95.08598	1.0
97.10186	0.4
98.20768	0.3
99.63641	0.2
105.07041	0.6
107.08595	0.7
109.10168	0.6
117.07040	0.3
119.08604	0.7
121.10163	0.3
123.11799	0.2
129.06973	0.3
131.08574	0.7
133.10150	0.7
136.80986	0.2
141.06992	0.5
143.08575	0.4
145.10121	0.5
147.11720	0.4
148.43846	0.2
149.13191	0.2
155.08572	0.9
157.10155	0.8
159.11702	0.5
167.08588	0.6
169.10158	1.3
171.11717	0.5
173.13321	0.3
181.10139	0.7
183.11734	1.3
185.13379	0.6
195.11774	0.8
197.13301	0.7
199.14890	0.3
207.11682	0.3
209.13292	0.8
211.14818	0.9
213.16451	0.4
223.14867	0.6
225.16495	0.3
237.16513	0.4
239.17999	0.3
265.19550	0.2
304.45688	0.2
307.20645	0.3
313.27203	0.2
349.25473	0.2
397.30737	0.2
399.16144	0.3
400.17059	0.5
401.17697	0.7
402.19263	0.5
403.19400	0.3
404.20895	0.3
412.18198	0.4
413.17764	0.5
414.18552	0.9
415.19196	3.5
416.19977	2.1
417.21207	0.4
427.19730	0.2
428.20190	0.9
429.20871	5.7
430.21722	3.6
431.22534	1.7
433.23914	0.7
442.21649	0.5
443.22888	2.8
444.23706	5.0
445.24173	4.0
446.24811	0.6
447.32419	0.3
448.26483	0.9
457.20184	0.9
457.24866	0.5
458.20352	0.5
458.24948	0.9
459.21353	2.4
459.25818	2.8
460.22696	0.3
461.23264	0.6
471.21826	0.8
472.22662	3.4
473.23456	5.0
474.24399	2.9
475.24802	0.9
476.22162	0.5
485.23764	1.7
486.24167	0.8
487.24948	20.0
488.25415	0.6
489.22830	2.1
490.23648	0.5
500.22070	0.3
501.22815	0.4
503.24966	1.8
504.25345	0.5
515.24249	1.1
517.22406	0.7
517.40588	0.8
518.23181	0.8
519.28156	0.2
531.23932	15.9
532.24744	5.5
535.41528	0.8
559.23395	0.2
563.26630	0.7
573.43323	0.6
576.23541	0.4
591.26038	100.0
591.43359	8.4
592.26428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.5
55.00459	2.3
55.01868	8.1
55.05508	12.2
57.03436	26.9
58.51154	2.7
60.96541	2.2
61.02927	59.9
65.03941	2.4
67.05502	21.2
69.03426	39.0
69.07066	7.8
69.16441	10.5
69.16867	13.1
70.06572	3.3
70.97200	2.4
71.01331	6.9
71.04987	8.5
73.02930	28.0
79.05491	25.1
81.03418	100.0
81.07060	24.2
83.04980	16.5
83.08617	17.0
85.02906	98.7
85.03306	1.5
86.09692	2.9
91.03961	44.3
91.05460	23.0
93.07049	17.2
95.01347	2.7
95.04970	50.1
95.08596	6.7
97.02406	2.6
97.02891	71.2
97.06566	3.1
97.10189	6.4
99.04465	13.6
101.02377	7.8
103.03923	14.2
105.07048	22.0
107.04993	14.0
107.08579	10.9
109.02876	22.1
109.06511	11.0
109.10148	5.5
111.04424	6.6
111.08079	6.0
115.03886	5.2
117.07016	9.9
119.08587	17.8
121.02930	2.7
121.06502	10.9
121.10144	9.6
123.04435	29.1
125.09644	2.6
127.03936	31.4
129.05492	5.1
129.07030	12.3
131.04910	4.6
131.08588	11.5
133.06572	4.8
133.10144	8.7
135.08066	6.9
135.11705	4.2
139.03938	4.4
145.04974	20.6
145.06491	6.7
145.10098	10.1
147.04416	8.9
147.08017	6.4
147.11681	14.5
149.06013	4.6
149.09618	5.9
157.06532	3.1
157.10124	13.0
159.06577	3.6
161.05934	5.0
163.03922	2.5
163.06071	5.9
163.07553	2.7
163.11153	14.7
165.05569	2.5
165.12724	4.8
171.11685	3.2
173.04538	2.7
173.06012	5.8
173.09665	3.1
175.11197	12.0
177.05598	2.3
183.06551	10.5
189.05443	3.0
189.12740	10.0
191.10649	3.8
193.12239	44.0
199.11180	2.7
201.07510	6.8
207.13750	3.8
211.13284	49.6
217.12228	6.5
222.79858	2.4
223.13181	3.8
227.12787	4.1
229.14333	5.3
235.13249	46.7
249.14825	12.4
253.14317	8.5
259.13284	20.4
267.15939	41.6
273.14832	20.4
275.12909	2.9
277.14374	7.8
283.13202	7.5
285.17014	27.5
295.15186	3.0
301.14282	31.0
309.17029	38.1
315.15863	4.6
319.15408	11.3
333.16937	3.5
337.16400	5.3
351.18073	10.5
355.17386	5.1
363.17957	6.9
375.17993	36.2
393.19058	29.4
411.20270	32.3
417.18823	3.9
429.21213	19.6
435.20026	3.8
453.21164	3.2
591.26965	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	591.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.05522	11.4
57.03444	8.3
57.07078	33.0
67.05506	48.1
69.07069	15.7
71.08633	22.5
75.04448	1.5
79.05496	29.8
81.07061	48.3
83.08225	1.2
83.08627	12.1
85.10174	10.8
91.05470	11.4
93.07045	33.1
95.08614	49.6
97.06532	1.8
97.10184	6.5
97.80972	1.2
98.21534	2.5
99.08078	1.6
103.07549	1.5
105.07053	10.3
105.72542	1.3
107.08586	22.2
109.00693	1.2
109.10157	23.6
117.07000	5.5
119.08598	8.5
121.10159	17.3
121.80904	1.3
123.08107	1.4
123.11711	11.0
125.09589	1.5
131.08600	10.7
133.10159	10.5
135.11699	15.9
137.13271	3.1
145.10132	8.0
147.11679	5.0
149.13246	9.8
151.14908	1.3
159.11708	8.7
161.13251	5.5
163.14784	5.2
173.13295	8.2
175.14781	2.0
177.16362	1.8
187.14775	3.5
197.50288	1.3
233.22710	1.7
239.23701	5.2
243.21083	13.3
261.22134	53.5
299.23730	1.5
313.27374	100.0
317.24738	11.9
318.40381	1.2
335.25824	67.7
573.48785	24.3
591.49878	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	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
53.09272	0.9
55.05515	13.3
57.03201	1.1
57.03446	13.3
57.07079	38.2
65.03933	3.0
67.05508	54.6
69.07077	16.1
71.08638	25.5
72.04496	1.8
79.05497	40.2
81.07061	57.9
83.04984	1.8
83.08621	12.5
85.06519	2.8
85.10188	15.1
89.06042	1.5
91.05479	19.1
93.07050	48.7
93.07640	2.6
95.04974	3.7
95.08611	51.1
97.06519	2.2
97.10175	7.6
99.08105	2.3
105.04543	1.0
105.07037	13.2
107.08601	30.2
109.10159	20.2
111.11704	1.3
113.09624	2.4
117.07027	6.8
117.80812	1.0
119.08594	8.5
121.10150	22.8
123.08102	1.8
123.11717	7.6
125.09660	1.6
126.88023	0.9
131.08583	12.9
133.10141	9.1
135.11696	14.4
137.13232	3.5
139.11163	1.2
145.10106	9.5
147.11713	9.9
149.13255	12.4
151.14806	2.1
159.11685	8.3
161.13232	6.5
163.11220	2.0
163.14848	12.3
166.77391	1.0
173.13271	7.8
175.14841	3.2
177.11186	0.9
177.12779	1.7
177.16348	5.8
186.26961	1.0
187.14769	4.0
201.16304	1.2
229.55438	1.1
233.22670	4.0
234.14804	1.1
239.23653	4.0
243.21089	26.9
261.22159	54.4
313.27383	100.0
314.27667	2.4
317.24835	9.8
335.25809	72.6
396.25455	2.3
499.44937	1.7
531.23425	1.3
573.49036	26.1
591.25977	4.0
591.39020	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	592.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
57.03426	0.4
67.05512	1.5
68.05035	0.2
69.07066	0.7
70.97511	0.3
70.97861	0.4
77.46844	0.1
79.05490	0.8
80.05000	0.2
81.07050	1.2
83.08627	0.2
91.05459	0.9
93.07016	0.5
95.08631	0.8
98.98473	4.0
98.99114	0.2
105.07018	0.6
107.08579	0.6
109.10141	0.4
117.05769	0.4
117.07009	0.9
118.06567	1.2
119.07356	1.1
119.08601	0.3
120.66707	0.1
125.00009	13.9
126.34552	0.2
128.06235	0.2
130.06429	0.3
131.07283	0.2
132.08083	0.5
133.10036	0.2
134.09659	14.0
144.08092	6.6
144.09244	0.3
145.08875	4.3
160.11223	93.4
161.11551	0.3
178.10675	0.2
178.12279	6.4
258.08911	100.0
259.09204	0.6
266.76611	0.2
337.27386	3.6
406.34641	0.2
406.40210	0.2
411.07477	0.1
423.66968	0.2
517.05365	0.2
574.33087	1.4
592.33936	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	592.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03454	1.6
51.95479	1.2
55.05519	9.5
57.03422	3.9
57.07072	2.8
62.06092	30.0
67.05507	22.7
69.07065	12.9
70.06605	1.4
71.08636	1.6
79.05496	8.1
81.06599	1.6
81.07063	23.7
83.08617	4.4
91.05473	4.3
93.07038	7.2
95.08613	21.3
97.06512	8.9
97.10146	2.7
98.98473	5.6
105.07014	3.1
107.08568	4.7
109.10130	7.3
114.09171	9.0
119.08559	3.2
121.10150	3.2
123.11714	3.4
124.01579	1.6
133.10138	3.7
134.09618	2.0
134.34439	1.2
137.13252	2.1
140.10693	4.1
142.02782	1.3
147.24394	1.3
155.01067	5.2
155.81505	1.3
158.11740	3.4
160.11252	7.1
165.60526	1.3
173.02069	1.3
177.16393	2.0
178.12347	2.7
198.05295	1.7
216.06326	4.3
245.22678	1.6
258.08942	5.7
263.23721	7.8
306.27863	9.5
337.27377	100.0
417.23953	3.2
426.44244	1.5
460.28265	22.5
478.29404	26.5
574.35010	1.8
592.24902	1.5
592.42468	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	592.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24550	0.6
53.03933	0.5
55.05520	5.8
57.03214	0.5
57.03446	4.3
57.07067	1.5
65.85233	0.4
67.05510	15.6
69.06736	0.9
69.07075	10.7
69.34607	2.7
69.35037	2.0
70.06590	1.1
71.08627	1.0
79.05493	4.0
81.07060	17.9
83.04973	0.9
83.08633	4.7
85.10170	0.5
91.05466	3.2
93.07053	5.0
94.83743	0.4
95.07986	0.7
95.08608	13.2
95.09183	1.1
97.06520	2.2
97.10167	2.1
98.98458	3.6
99.08087	0.6
105.07031	2.9
107.08576	2.8
109.10154	6.3
111.08061	0.7
114.09164	1.4
117.06998	0.8
118.06497	0.7
119.07336	0.7
119.08588	1.8
121.10166	2.5
123.11693	2.2
125.00017	12.0
133.10123	1.9
134.09671	13.3
135.11697	1.4
137.13231	1.0
142.02649	2.1
144.08083	6.1
145.08888	3.6
147.01677	0.5
147.11700	1.1
151.14807	0.6
158.11839	0.6
160.11229	82.0
161.11737	0.5
161.13196	0.7
178.12276	5.9
215.22943	0.5
238.08583	1.1
250.14777	0.5
258.08923	100.0
259.09393	0.6
263.23560	0.6
306.27908	1.6
337.27386	82.3
338.27597	0.8
478.29169	1.3
574.33002	1.5
592.22949	2.1
592.33856	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	592.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.05515	8.2
57.03201	0.4
57.03443	5.6
57.07075	1.3
58.84010	0.3
62.06083	1.0
65.03933	0.6
67.05508	20.4
69.07075	12.2
70.06590	0.3
70.97591	0.8
71.04988	0.6
71.08633	0.8
79.05502	5.7
81.07060	19.5
83.04987	0.8
83.08154	0.6
83.08620	6.5
85.06526	0.6
91.05492	3.3
93.06502	0.4
93.07056	6.0
95.08610	14.6
97.06544	3.6
97.10171	3.7
98.98454	0.9
99.08077	0.4
105.07027	2.9
107.08599	3.5
109.06516	0.4
109.10163	6.2
111.08074	0.8
111.11720	0.5
114.09157	0.8
118.06528	0.5
119.07329	0.6
119.08580	1.8
121.10163	2.8
122.09708	0.6
123.11735	2.6
124.01600	0.4
125.00004	2.2
133.10117	2.3
134.09666	5.4
135.11690	1.5
137.09615	0.4
137.13243	1.2
140.10721	0.7
142.02657	4.0
144.08089	1.5
145.08908	0.9
147.11691	1.2
149.13286	0.6
160.11234	18.6
161.13261	0.8
163.14856	0.5
175.14862	0.8
178.12285	14.9
194.00481	0.3
216.06395	0.7
238.08339	0.6
245.22774	0.6
256.09445	0.4
258.08926	14.3
263.23837	0.8
306.27899	1.3
337.27377	100.0
338.27835	0.9
478.29333	1.4
574.33160	1.4
592.33868	4.9
599.61786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01845	9.8
55.05500	30.3
57.03440	9.8
57.07061	8.2
67.05506	76.6
67.44301	8.3
69.07055	18.4
79.05496	98.6
81.03407	9.3
81.07064	71.6
83.04954	10.4
83.08626	16.2
91.05485	94.7
93.07043	100.0
95.04960	17.1
95.08612	54.7
97.06548	11.8
101.43997	9.0
105.07038	77.4
107.04979	12.5
107.08587	45.6
109.06522	9.9
109.10144	15.9
109.28342	8.2
117.07030	15.5
119.08634	52.3
121.10120	16.6
122.17595	7.5
129.07036	19.6
131.08516	9.5
133.10158	41.6
135.11693	14.4
143.08524	14.6
145.10121	24.3
147.11716	54.9
152.37570	8.0
157.10222	8.2
159.11708	17.0
161.13269	35.4
171.11694	32.0
173.13280	13.0
175.14893	9.1
187.14906	12.5
207.13821	18.6
213.27289	8.5
241.19435	25.5
259.20566	60.1
281.17551	50.0
313.27271	8.2
333.24319	50.3
371.60626	7.8
465.39508	9.1
527.85486	11.5
539.37384	62.1
592.43170	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	593.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.92915	1.9
94.93010	0.9
96.92822	0.9
98.20815	0.5
106.57580	0.4
114.03071	0.4
136.94051	0.8
177.85248	0.4
248.89711	0.6
250.89801	3.0
250.97203	100.0
251.97548	0.6
381.07938	13.6
418.28824	0.4
419.03656	1.5
584.61841	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79448	0.5
53.03936	1.6
53.80105	0.5
55.01867	1.3
55.05519	3.3
57.03441	7.5
57.07062	0.9
67.05507	12.1
69.02466	0.5
69.03411	0.4
69.07050	2.4
69.30521	1.1
69.30922	3.4
69.33312	0.5
71.04984	0.6
73.02939	0.7
77.17408	0.5
79.05075	0.8
79.05501	11.7
81.03414	2.7
81.07053	13.1
81.79948	0.4
83.08602	2.2
85.02912	1.2
91.05481	12.9
93.07043	16.7
95.04964	1.6
95.08609	11.3
97.06554	1.1
97.10149	0.9
98.21559	1.0
98.98465	7.7
99.04446	0.8
99.08104	0.5
103.03953	1.5
105.07033	11.7
107.08591	10.5
109.02872	0.8
109.06561	0.5
109.10162	4.2
111.08019	0.7
117.07029	4.5
119.08587	11.9
121.10145	7.4
123.11724	1.1
126.89376	0.6
127.03926	1.1
129.05505	3.9
129.06992	2.5
131.08571	6.9
133.06494	0.6
133.10143	10.4
135.11693	7.5
143.08571	2.7
145.10141	5.6
147.11699	8.4
149.13261	4.4
155.01044	1.3
155.07024	1.4
157.10112	3.5
159.11703	5.4
161.09622	0.8
161.13263	7.2
163.06068	0.6
163.14798	3.0
171.11685	4.2
173.02133	1.0
173.13309	4.3
175.11205	0.7
175.14844	5.0
177.16403	0.6
185.13274	4.4
187.14851	0.7
189.12732	0.7
191.14386	0.5
199.14778	3.0
213.16389	1.2
215.17943	4.1
217.19521	6.0
231.21138	2.3
241.19521	18.4
243.21069	2.8
251.71654	0.5
259.20578	9.2
261.03683	0.8
274.58371	0.5
275.19943	1.3
277.21585	1.7
287.19955	0.6
288.26385	0.5
289.21548	0.5
291.19586	0.9
315.23206	2.8
317.06332	1.3
333.24237	100.0
334.24487	1.0
335.07367	1.5
381.19897	0.7
381.25043	0.6
575.25659	0.8
593.33771	0.6
611.89417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
55.19043	0.2
69.22636	0.3
69.23035	1.6
81.54330	0.2
95.63695	0.2
98.21481	0.4
141.63480	0.2
153.39531	0.2
158.09882	0.2
187.08266	0.2
207.09177	0.3
211.12300	0.3
239.15106	0.2
300.14786	0.2
326.16751	0.2
387.16312	0.3
388.16885	0.3
389.17651	0.6
401.17773	0.3
402.18289	0.6
403.19293	2.3
404.19968	0.8
405.20801	1.8
416.20084	0.6
417.16595	0.7
417.21423	2.7
418.21924	1.3
419.22357	3.1
421.24405	0.2
430.17322	0.9
431.18298	7.0
432.18774	1.7
433.24161	5.5
434.24609	1.1
444.19293	0.3
445.19962	8.3
446.20786	3.9
447.21701	4.5
449.23651	0.5
459.21661	3.4
460.22531	9.5
461.23328	8.2
462.19885	0.2
463.21188	0.3
473.23755	2.1
474.24136	0.6
476.25653	0.8
477.22504	0.5
487.25406	1.0
489.26831	0.5
491.24207	0.7
492.25543	1.7
504.21387	0.4
505.22000	4.7
515.24530	0.3
518.23206	0.4
519.23944	0.6
532.21954	0.2
533.25519	27.7
534.25787	0.6
547.27411	0.3
561.24841	0.3
564.23645	0.8
565.28174	0.5
575.26599	0.2
593.27588	100.0
594.27869	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.4
55.61356	0.3
57.82491	0.3
62.80939	0.3
69.26100	2.3
74.24854	0.3
109.10152	0.4
111.32255	0.3
119.91591	0.3
156.78792	0.3
196.89168	0.2
256.05807	0.3
278.52539	0.3
293.81610	0.3
314.27600	0.4
353.74533	0.3
387.16473	0.4
388.17099	0.4
389.17719	1.0
390.18622	0.3
401.17950	0.3
402.18512	0.4
403.19220	2.7
404.20032	1.1
405.20804	1.3
406.21683	0.3
415.19955	0.3
416.15564	0.4
416.20627	0.6
417.16223	0.7
417.21420	3.0
418.21722	1.7
419.22504	3.4
430.17935	0.9
431.18256	7.9
432.19397	1.3
432.24173	0.6
433.24130	7.5
434.24698	0.6
445.19992	9.8
446.20959	4.5
447.21710	4.8
459.21637	4.2
460.22626	11.2
461.23251	10.0
473.23627	2.1
474.23682	0.4
475.21048	0.4
476.25558	1.1
477.27066	0.9
487.25339	0.8
489.26404	0.5
491.24490	1.2
492.25363	1.0
505.21863	4.0
515.24921	0.5
518.23010	0.7
519.24207	0.8
532.21198	0.3
533.25543	39.9
534.25989	0.9
564.23553	0.6
565.28235	0.9
575.26263	0.5
578.25220	0.3
593.27612	100.0
594.28058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78358	0.1
55.05508	0.3
57.03428	0.2
67.05502	0.7
69.07058	0.3
71.53523	0.1
73.37835	0.1
79.05494	0.4
80.05017	0.1
81.07056	0.5
83.08606	0.2
91.05473	0.4
93.07045	0.3
95.08584	0.2
98.98463	4.0
105.07046	0.2
106.06550	0.2
107.08601	0.4
109.10183	0.2
115.05463	0.2
117.05747	0.2
117.06992	0.5
118.06501	1.4
119.07329	1.0
125.00004	12.7
125.74097	0.1
130.06503	0.4
131.07300	0.1
132.08148	0.2
134.09653	13.1
144.08080	6.3
145.08871	3.9
158.09593	0.1
160.11215	84.4
161.11554	0.4
178.10658	0.2
178.12267	5.9
258.08899	100.0
259.09219	0.4
423.68008	0.1
462.46426	0.1
511.59424	0.1
576.34436	1.3
594.35596	3.1
594.45239	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	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83376	1.3
55.01876	3.5
55.05280	1.4
55.05515	18.3
55.38797	1.2
57.03439	10.7
60.12681	1.7
67.05508	30.3
69.03434	4.4
69.07076	8.4
70.58969	1.4
70.78073	2.1
70.78395	2.8
71.04994	6.0
79.05070	2.5
79.05496	31.6
81.03423	56.2
81.07059	24.2
83.04988	6.3
83.08623	16.0
85.06540	2.0
91.05489	28.3
93.07051	28.5
95.04973	19.7
95.08612	15.7
97.06531	4.7
97.10188	15.7
105.07034	22.5
107.04968	13.1
107.08605	18.6
107.30120	1.6
109.02901	1.5
109.06539	10.8
109.10156	8.1
111.04438	2.7
111.08082	5.3
115.05503	1.5
117.07032	9.2
119.08588	21.1
121.06513	10.4
121.10152	13.3
123.08074	4.7
125.09636	16.0
128.06282	1.7
129.07018	10.8
131.08585	13.6
133.06477	3.5
133.10126	13.7
135.08060	6.2
135.11687	6.2
137.09633	2.8
143.08572	3.1
145.06502	4.5
145.10158	9.4
147.08034	4.5
147.11682	14.2
149.09634	5.7
149.13264	3.9
151.11200	2.0
153.09152	2.6
153.12735	1.8
155.08595	2.1
157.10143	7.7
159.11684	5.0
161.13260	5.0
163.11200	3.0
165.12819	1.5
167.08725	1.6
171.08058	3.2
171.11678	3.0
173.09657	1.5
173.13286	3.4
175.11255	8.0
175.14764	1.5
177.12700	1.5
183.11687	1.6
185.13289	3.5
187.14833	1.9
189.09668	1.4
189.11215	9.2
189.12766	3.0
193.12271	16.2
195.11621	2.2
199.11137	1.7
199.14917	2.3
203.14378	2.7
211.13213	2.6
217.12314	2.0
219.13777	3.8
223.13174	2.0
227.12727	3.2
231.21246	1.4
233.15355	4.5
241.19508	3.1
249.14993	2.0
255.13734	1.8
259.20587	13.9
267.15903	37.2
273.14877	5.7
317.16040	3.5
333.24075	3.0
334.24762	1.7
339.23285	2.1
349.21555	5.4
351.25351	16.8
357.24146	2.9
367.22617	19.3
385.23749	25.7
403.24820	10.6
441.26279	8.1
459.27444	100.0
477.28516	95.4
478.29916	1.8
491.29926	9.0
509.31201	4.5
541.33478	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	595.1446
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03938	0.5
54.79405	0.2
57.03441	0.3
65.03953	1.0
67.05503	0.2
68.99773	0.2
69.03437	1.4
70.06590	0.3
70.64165	0.3
70.64520	0.4
71.04999	0.2
74.79491	0.2
79.05485	0.3
81.03417	3.9
81.07081	0.4
85.02905	0.7
87.59309	0.2
88.04435	0.2
91.05486	10.2
93.07034	0.3
95.04986	0.3
97.02904	0.6
97.06507	0.2
99.04430	0.5
103.03906	0.2
107.04961	0.3
107.08562	0.3
109.02878	1.4
109.10148	0.3
119.04947	22.9
121.02848	0.5
121.70600	0.2
127.03919	1.0
135.11806	0.2
137.02274	0.2
147.04413	100.0
148.04784	0.5
153.01837	0.8
165.01874	0.5
165.05486	3.2
172.58244	0.2
181.05025	0.2
183.03015	0.2
185.06042	0.2
209.74580	0.2
213.05530	0.3
231.06636	0.2
258.05399	0.3
285.07578	0.5
286.07886	0.5
287.05502	21.2
291.08636	5.3
309.09689	2.4
351.25824	0.2
442.11411	0.2
449.13705	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72161	0.2
53.12637	0.2
53.75895	0.2
55.84630	0.2
57.03449	1.2
61.02925	1.7
68.99803	0.5
69.03425	0.2
69.49551	1.5
70.06598	0.5
71.01362	0.2
71.04996	7.8
73.02909	0.7
75.04476	0.4
79.05496	0.4
81.03426	0.4
83.05003	0.6
84.04481	0.2
85.02911	10.7
86.09711	0.3
87.04488	0.4
89.53448	0.3
91.03963	0.9
97.02888	0.9
107.04922	0.3
109.02879	0.4
111.00840	0.6
111.04482	0.4
119.08640	0.2
121.02872	1.5
123.75780	0.2
127.03922	0.6
129.05484	2.8
137.02322	0.6
145.04942	0.5
147.04411	0.2
147.06537	0.8
151.03909	0.2
153.01846	2.6
157.06448	0.3
161.05940	0.2
165.01822	1.0
169.45392	0.2
171.04390	0.2
181.05017	0.2
183.02942	0.5
185.06029	0.4
185.73622	0.2
213.05432	1.2
231.06549	0.5
238.54823	0.2
241.04993	0.6
243.06929	0.2
254.86334	0.2
258.05295	0.6
259.06049	0.5
287.05511	100.0
288.05820	0.7
329.06638	0.3
449.10748	0.8
516.90442	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01856	0.4
55.05517	0.3
57.00011	0.3
57.03448	1.5
58.35818	0.2
61.02924	0.6
67.05499	0.2
68.99802	0.4
69.03443	1.3
69.70945	1.2
70.03252	0.2
70.06583	0.3
71.04998	9.7
72.36732	0.2
75.04466	0.4
78.62311	0.2
79.56113	0.2
81.03416	0.6
81.07068	0.2
83.04973	0.6
85.02910	14.8
86.09703	0.5
87.04476	0.4
97.02898	1.4
98.21452	0.5
99.04429	0.4
105.07020	0.4
107.04964	0.4
109.02891	1.0
111.00817	0.7
111.04443	0.4
121.02888	2.2
121.06496	0.3
127.03902	1.1
129.05493	3.0
133.02864	0.5
137.02306	0.8
145.04967	0.7
147.04451	0.4
147.06535	0.9
150.49689	0.2
153.01859	2.8
157.06514	0.4
165.01869	1.0
178.67986	0.3
183.02872	0.7
185.06046	0.3
213.05452	1.0
218.10927	0.2
231.06523	0.5
239.39226	0.2
241.04936	0.5
253.14218	0.2
258.05295	0.8
259.06030	0.3
269.04340	0.2
274.20465	0.2
287.05511	100.0
288.05807	0.5
431.56180	0.3
449.10956	0.6
521.55811	0.2
554.07709	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1661
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03941	0.3
54.26515	0.2
55.05521	0.3
57.03444	1.4
61.02922	0.8
63.48998	0.2
69.03439	1.0
71.05000	9.2
73.02907	0.4
75.04471	0.4
81.03407	0.8
83.04969	0.5
85.02911	13.6
86.95557	0.2
87.04469	0.3
91.03934	0.3
91.05495	0.4
97.02891	1.0
98.21551	0.4
99.04467	0.4
102.11484	0.2
109.02879	0.8
111.00803	0.6
111.04470	0.3
116.08805	0.2
121.02866	1.8
127.03936	1.5
129.05492	3.0
129.06987	0.2
133.02843	0.3
137.02332	0.5
145.04929	0.7
147.04359	0.5
147.06526	0.8
153.01839	2.4
157.06506	0.4
164.98047	0.2
165.01851	1.0
183.02902	0.7
185.06064	0.3
213.05498	1.0
231.06435	0.4
241.04939	0.7
258.05307	0.9
287.05515	100.0
288.05807	0.5
336.80389	0.2
350.34482	0.2
390.53296	0.2
527.61975	0.2
595.21680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2555
Annotation	Salasol B
Peak:m/z	Relative Intensity
61.26532	0.3
67.05505	0.9
69.40820	2.6
79.05505	0.5
79.87010	0.3
81.07056	0.7
91.05450	0.8
93.07037	0.6
95.08613	0.4
98.20815	0.6
105.06983	0.4
107.08649	0.4
119.08592	0.4
128.29698	0.3
253.47855	0.4
362.15527	0.4
377.17755	1.0
378.18436	0.7
379.19479	0.8
390.18692	0.4
391.19455	2.0
392.19965	1.0
393.20923	2.2
403.15219	0.4
404.16257	0.6
405.16498	3.6
405.21109	1.3
406.18042	1.3
406.22510	0.5
407.22733	3.4
410.00504	0.4
418.17606	0.8
419.18442	4.9
420.19199	1.7
421.20230	3.1
433.16235	2.2
433.21356	3.5
434.21619	3.5
435.17459	0.5
435.21982	6.5
436.23001	0.6
447.17471	3.0
448.18939	1.4
449.19623	3.4
461.19223	1.8
462.20474	6.7
463.21362	4.4
465.19046	0.4
475.21442	2.2
478.24130	0.8
479.20239	0.9
479.25336	0.5
489.22983	1.2
493.21793	0.6
494.23248	0.8
507.24622	6.0
535.23450	22.6
536.24011	0.4
549.24872	0.6
560.36523	0.4
567.26111	2.6
595.25543	100.0
596.25879	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48929	0.7
51.89448	0.8
53.03937	2.7
55.05510	7.5
56.94897	0.9
57.03441	6.5
57.07079	0.9
64.85905	0.8
65.03952	1.3
67.05511	29.7
67.34730	0.8
69.07069	7.1
69.78870	2.5
69.79265	1.4
79.05499	18.3
81.03424	4.5
81.07060	27.2
83.04966	1.1
83.08617	2.6
85.02901	1.1
91.05486	7.8
93.07053	19.5
95.04988	1.5
95.08614	23.1
97.06533	1.3
97.10197	1.1
98.98473	14.9
105.07053	4.6
107.08603	11.4
108.00709	0.8
109.02887	3.4
109.06503	1.0
109.10164	8.0
117.07034	1.5
119.08589	4.5
121.10146	7.9
123.11682	1.2
131.08571	3.4
133.10161	1.5
135.11697	4.6
145.10150	1.8
147.11665	2.0
149.07014	0.8
149.13274	1.9
155.01028	3.5
159.11803	1.2
161.13242	1.3
163.06010	0.9
163.14861	1.5
173.13301	1.6
243.21033	2.0
261.03714	3.2
261.22192	4.4
317.06610	1.2
317.24780	1.5
335.07236	1.4
335.25824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33538	0.6
52.35147	0.6
53.03936	1.4
55.01863	1.2
55.05516	4.8
57.03443	5.6
57.07061	2.2
58.81573	0.6
65.03938	1.0
67.05510	28.8
69.07078	5.9
71.05004	1.5
71.08633	0.8
71.52143	0.7
79.05499	22.0
81.03422	1.9
81.07063	29.4
83.05034	0.8
83.08638	3.6
85.06599	0.7
86.09689	0.7
89.42265	0.7
91.05490	10.3
93.06493	1.2
93.07052	24.4
95.04975	1.5
95.08612	25.2
97.06498	1.9
97.10172	1.4
98.97891	0.7
98.98476	9.3
99.04454	0.8
99.08112	0.7
105.07021	6.3
107.08599	12.7
109.02887	1.5
109.06499	1.2
109.10171	9.3
111.08053	0.7
111.38391	0.6
115.17595	0.7
117.06999	3.1
119.08613	6.6
121.10152	11.0
123.08066	0.9
123.11720	3.6
124.39793	0.7
127.03914	0.9
129.05511	1.7
131.08582	6.5
133.10168	5.5
135.11681	6.3
136.87489	0.7
137.13274	1.2
145.10133	4.3
147.11687	2.8
149.13307	3.2
155.01083	3.3
159.11691	2.9
161.13274	2.6
163.14819	2.9
173.02087	0.8
173.13295	3.3
175.14850	1.0
177.16374	1.0
187.14926	1.2
205.92253	0.7
217.19609	1.1
219.21065	1.7
233.22784	1.1
243.21132	8.4
245.22748	0.8
261.03680	1.1
261.22192	5.8
279.23126	1.0
317.24622	4.9
335.07422	1.1
335.25821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01820	0.6
53.03934	1.5
54.01731	0.5
55.05516	6.9
57.03440	7.8
57.07079	1.0
62.52261	0.6
65.03932	1.5
67.05508	29.1
69.03402	0.6
69.07076	6.6
69.29733	3.4
69.30133	1.4
69.71931	0.7
79.05079	1.1
79.05498	14.6
81.03426	4.0
81.07061	24.6
83.04977	0.6
83.08623	3.5
83.77644	0.5
85.02911	1.1
85.06535	0.6
91.05477	7.8
93.07043	17.8
95.04988	1.0
95.08606	21.1
96.36300	0.6
97.06540	1.4
97.10164	1.0
98.21586	1.0
98.97874	0.9
98.98479	12.5
99.04427	0.7
99.08099	0.8
104.23038	0.6
105.07031	5.9
107.08600	8.9
109.02903	3.0
109.10165	8.5
111.08022	0.6
117.07015	1.5
119.08567	2.7
119.76580	0.6
121.10149	5.5
123.08059	1.0
123.11682	2.2
131.08557	2.5
133.10126	2.5
135.11700	3.1
145.10150	1.7
147.11668	2.2
149.13269	2.6
149.19768	0.6
155.01059	1.4
159.11681	1.1
161.13228	1.2
163.06064	0.7
163.14917	0.8
173.13245	1.3
175.14799	0.6
203.00607	0.6
214.42535	0.7
231.38672	0.5
243.21031	0.9
261.03647	2.7
261.22189	2.9
317.24896	0.8
335.07376	1.6
335.25809	100.0
336.26132	0.9
520.65540	0.7
547.65277	0.7
612.28894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.05515	7.9
56.11957	0.6
57.03448	6.2
57.07059	1.2
67.05512	28.1
69.07080	6.8
71.04997	1.1
74.72256	0.7
77.61419	0.6
79.05499	13.8
81.03423	3.5
81.07064	26.6
83.04979	1.1
83.08621	2.7
91.05482	7.3
92.85364	0.8
93.07056	15.1
95.04987	0.7
95.08613	20.3
97.06516	1.0
98.21648	0.6
98.98476	11.2
105.07049	3.9
107.08591	7.1
109.02875	2.6
109.10161	8.5
117.07020	1.5
119.08588	4.5
119.41113	0.6
121.10153	5.7
123.08054	0.8
123.11718	2.2
131.08580	2.5
133.10135	2.6
135.11699	3.8
137.13298	1.0
145.10127	1.7
147.11676	2.3
148.75128	0.7
149.13242	1.4
152.34250	0.7
155.01064	2.0
159.11699	1.2
161.13242	0.8
163.14801	0.6
173.02170	1.1
173.13254	2.1
229.51349	0.9
229.53505	0.7
243.21230	1.5
261.03662	3.2
261.13480	0.8
261.22183	2.5
317.24908	1.5
335.07318	1.3
335.25824	100.0
383.63721	0.7
426.47440	0.8
455.36380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.31
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49099	1.5
53.03941	3.3
55.01876	3.7
55.05517	12.5
57.03425	5.3
57.07068	3.6
62.58271	1.6
65.03931	1.8
67.05510	63.4
69.03429	2.6
69.07089	10.1
69.87881	7.1
69.88495	1.5
71.08614	1.6
73.02926	3.0
79.05073	2.6
79.05499	39.0
81.03414	2.4
81.07063	66.6
83.08625	8.6
85.02896	1.8
85.06563	2.6
91.05479	24.7
93.07052	47.0
93.46174	1.4
95.04950	1.8
95.08614	56.9
97.06525	3.5
97.10198	2.6
99.04433	2.8
99.08107	2.4
105.07044	16.2
107.08595	33.6
109.02881	5.8
109.09470	2.8
109.10161	32.6
110.03621	1.8
111.08109	3.0
117.07039	7.9
119.08580	12.8
121.10153	28.4
123.11710	17.2
127.03915	2.5
131.08563	18.4
133.10147	15.3
135.11693	26.7
137.09593	2.7
137.13254	7.3
139.11128	1.8
145.10121	13.8
147.11720	11.6
149.13287	20.2
151.11159	2.4
151.14833	2.4
151.57292	1.6
153.12834	2.3
159.11694	11.4
161.13252	9.4
163.11197	3.2
163.14819	15.0
165.12668	2.5
173.13266	17.2
175.14769	4.0
177.12733	2.0
177.16374	5.0
179.14325	3.7
187.14891	7.8
191.00177	1.7
191.14322	2.1
201.16397	2.3
205.15938	2.1
215.17935	2.1
233.22595	2.9
243.21100	32.3
253.45421	2.0
261.22137	100.0
263.23639	1.8
279.23230	4.4
303.22925	2.7
335.25833	31.4
353.26910	56.3
362.58508	1.7
451.21350	2.3
497.08456	1.5
561.27374	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	596.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01866	5.7
55.05500	11.2
56.78404	3.0
57.03426	3.6
57.07066	6.3
58.12826	3.1
58.98377	3.0
67.05181	4.8
67.05505	61.0
69.07059	13.3
69.85941	6.8
69.86346	15.5
70.26246	2.8
71.05008	3.3
71.08607	4.1
79.05493	46.7
81.06604	4.4
81.07060	68.1
83.04978	4.0
83.08607	10.1
85.02898	4.1
85.93686	3.1
91.05483	21.6
93.07046	55.0
95.04968	5.8
95.08076	4.1
95.08612	53.2
97.06512	4.8
97.10183	3.7
99.04503	3.1
105.07062	16.4
107.04841	3.1
107.08611	33.1
109.02878	5.2
109.06518	4.9
109.10177	22.3
111.04474	3.4
117.07034	10.7
119.08572	12.1
121.10148	30.8
123.11699	12.4
124.41160	3.0
131.08563	22.3
133.10127	13.1
135.11705	25.0
137.09601	3.2
137.13269	7.4
140.36362	3.0
145.10120	19.6
147.11699	16.1
149.13229	20.0
151.14772	3.6
152.73506	3.3
159.11676	11.1
161.13268	10.7
163.11179	3.2
163.14772	14.2
173.13306	12.8
175.14847	7.0
177.16362	7.6
187.14862	9.8
191.14197	3.1
201.16310	4.1
215.01810	3.9
219.05251	3.0
233.22423	6.2
241.19579	3.3
243.21124	37.8
261.22144	100.0
279.23056	6.6
335.25793	24.5
353.26901	65.5
422.53824	3.1
561.26904	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	596.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17842	1.9
55.01864	8.8
55.05514	47.0
55.55420	1.8
57.03437	21.8
57.07076	2.1
59.04992	9.7
61.02920	7.4
67.05510	100.0
69.03423	5.3
69.07079	14.7
71.01364	2.5
71.04988	5.5
71.52176	3.6
73.02919	4.1
75.04504	3.6
79.05492	26.1
81.03417	19.0
81.07063	35.5
83.04985	13.2
83.08622	23.0
85.02909	24.5
87.04482	12.2
91.03930	2.4
91.05494	15.6
93.07043	18.0
95.04980	7.8
95.08612	15.2
97.02898	7.5
97.06526	4.9
97.10177	45.0
99.04472	2.3
103.03951	15.9
105.07047	5.1
107.04953	3.9
107.08609	20.5
109.06493	2.7
109.10166	85.0
111.04424	3.8
111.08093	4.4
117.06983	3.4
119.08601	10.5
121.10165	5.2
123.08096	2.2
125.09644	46.2
127.03960	3.4
129.06993	2.7
131.08572	5.2
135.11693	9.9
137.09695	5.1
143.10703	7.1
145.10089	6.5
147.08040	3.2
147.11745	3.8
153.12773	14.3
155.10712	11.0
163.11194	16.5
166.19971	2.1
173.09621	2.6
173.10146	2.8
173.11737	41.5
181.12204	8.1
187.74158	2.0
191.10678	6.7
193.12309	2.7
199.13327	11.5
209.11745	18.5
217.14433	5.0
227.12794	17.8
229.14374	80.3
245.13936	6.1
257.13837	33.2
283.15399	26.1
301.16483	58.1
319.17493	14.8
347.88919	2.1
399.23663	4.2
446.31488	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.2
55.05507	15.3
57.03440	4.0
57.07080	1.8
59.38583	1.5
67.05507	61.1
67.80947	1.6
69.07075	9.4
69.26746	1.5
71.04995	17.1
73.42258	1.7
79.05491	28.8
81.07058	82.5
83.04990	2.8
83.08611	6.5
85.06549	7.3
91.05483	21.3
93.07050	30.2
95.08615	24.5
95.09602	1.9
97.06555	4.0
97.10108	1.7
98.20788	3.7
105.07040	13.3
107.08592	17.2
109.06496	2.3
109.10158	12.3
109.68047	1.6
117.07061	3.9
117.12085	1.6
119.08583	5.9
121.10152	13.8
123.11703	12.3
131.08588	10.6
133.10130	17.0
135.11737	8.8
145.10149	7.2
147.11711	3.5
149.13283	4.3
151.11160	4.3
159.11720	6.6
161.13298	2.1
173.13257	3.6
183.13945	2.2
187.14789	2.8
261.22198	2.4
269.17340	4.1
301.20062	12.4
335.25830	33.6
496.84464	1.8
503.37338	100.0
517.38672	3.1
529.39038	6.3
561.41534	58.8
596.28839	2.8
596.38440	3.4
596.47247	19.3
596.57550	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3036
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03943	2.1
55.01862	1.3
55.05519	12.6
57.03447	5.4
57.07066	2.4
65.03932	1.3
67.05509	33.8
69.03418	0.9
69.07070	13.7
69.34332	2.5
69.34759	3.2
71.04988	1.8
79.05496	9.8
81.03418	5.7
81.07059	37.0
81.84311	0.6
83.04991	1.8
83.08617	7.3
85.02895	1.7
85.03399	0.7
91.05477	7.4
93.07053	13.4
95.04977	2.0
95.08614	27.4
95.69434	0.6
97.06509	2.2
97.10179	3.9
98.98471	35.1
99.04504	1.0
101.36202	0.8
105.07018	5.8
107.08604	7.0
107.64391	0.7
109.02903	4.0
109.06480	0.8
109.10167	9.0
111.08091	0.9
111.11766	0.9
119.08591	7.2
121.10162	7.1
123.11717	4.6
125.09653	0.9
127.03904	1.3
131.08574	1.3
132.47366	0.7
133.10130	4.9
135.11679	3.3
137.09680	0.8
137.13223	2.9
145.04942	1.3
145.10127	1.8
147.11676	2.9
149.09572	0.9
149.13286	1.9
151.14828	1.6
155.01050	22.4
155.08513	0.8
157.10097	0.9
159.11668	0.9
161.13243	1.7
163.06133	0.7
163.14793	2.2
165.16362	0.9
167.10796	0.7
169.12283	0.7
171.11685	0.7
173.02129	2.1
175.14845	1.1
181.12233	0.7
193.05125	0.8
193.52373	0.7
195.11652	0.7
205.15929	0.7
221.15382	0.9
238.22672	0.7
245.22739	4.4
261.03748	2.5
263.23706	10.9
317.06329	6.0
319.26251	2.3
324.72272	0.7
335.07565	3.5
337.27380	100.0
338.27704	0.9
425.29037	2.7
440.20081	0.8
561.28235	2.4
579.38373	1.1
597.39404	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	597.3031
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
53.03936	1.1
54.08258	0.5
55.05273	0.8
55.05514	11.4
57.03436	6.1
57.07063	2.0
62.73590	0.5
65.03933	0.9
67.05506	30.8
67.75182	0.6
68.05820	0.9
69.03416	0.7
69.07066	15.5
69.15453	6.6
71.04984	0.8
71.08627	0.8
79.05491	10.4
80.05785	0.5
81.03430	3.0
81.07057	30.3
82.07378	1.5
83.04960	0.9
83.08622	8.3
85.02869	0.5
85.06532	0.9
91.05479	6.4
92.05820	0.8
93.07045	10.8
94.07381	1.2
95.04949	1.0
95.08604	22.2
96.08943	1.6
97.06527	2.4
97.10172	3.9
98.97868	1.0
98.98469	10.4
99.04446	0.8
99.08083	1.2
105.07021	3.9
107.08599	7.1
109.02885	2.7
109.10161	10.2
110.10500	1.0
111.08047	0.8
113.09681	0.7
117.06979	0.9
119.08578	4.4
121.10136	7.0
122.10502	1.5
123.11691	4.0
127.03913	1.1
131.08604	1.7
133.10127	3.1
135.11685	3.8
136.12041	0.9
137.13245	1.6
145.10124	1.0
147.11697	2.8
149.13248	2.2
150.13585	0.8
155.01025	2.4
159.11723	0.8
160.11879	0.7
161.13272	1.6
163.06120	0.6
163.14825	1.5
167.98923	0.5
173.02100	1.1
173.13199	0.8
175.14841	1.5
243.21040	2.0
244.21494	2.4
245.22878	0.7
247.98573	0.6
261.03735	2.4
261.22107	5.3
262.22473	9.1
263.23709	2.7
275.82693	0.6
317.06042	0.8
335.07468	1.3
335.25790	0.7
336.26114	2.0
337.27362	100.0
338.27737	1.2
338.53696	0.6
353.26788	2.1
354.27240	4.5
404.12112	0.6
425.28723	0.8
562.27216	1.0
597.38947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3762
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
53.03949	0.6
55.05511	1.1
58.79904	0.5
66.61333	0.5
67.05507	3.7
69.07069	0.9
71.53595	0.5
79.05486	2.1
81.07067	2.4
83.08620	0.9
91.04984	0.6
91.05476	2.9
93.07032	3.6
95.04974	0.7
95.08615	2.2
105.07034	2.2
107.08603	1.2
109.10166	1.2
119.08577	1.5
121.10149	1.0
131.08623	0.7
133.10159	1.4
135.11690	0.8
145.10155	0.7
147.11728	0.7
171.11748	0.7
173.13191	0.6
181.10271	0.5
185.09656	0.5
247.13043	3.4
303.15726	3.0
317.20914	1.6
337.27536	0.6
373.23608	1.8
520.44629	0.5
527.29767	0.7
547.77344	0.5
597.37653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01875	6.2
55.05508	7.1
57.03430	6.9
57.07079	32.5
67.05511	14.2
69.03436	46.3
69.07066	9.9
69.11512	2.9
69.24261	16.2
69.24667	6.6
70.06593	10.8
71.04999	3.4
71.08635	28.5
73.02921	4.9
79.05504	3.5
81.03428	25.6
81.07060	17.8
83.08643	11.3
84.04502	9.8
85.02909	61.7
85.10189	12.5
91.05489	6.0
93.07047	7.6
95.08614	25.7
97.02889	31.1
97.10159	9.2
99.04453	7.3
105.07027	10.1
107.08617	6.4
109.02876	17.1
109.10155	14.7
116.07078	21.0
117.28314	2.5
119.08595	7.8
121.10152	8.6
123.11720	6.0
127.03922	64.9
131.08551	3.9
133.10133	5.7
135.11713	4.5
137.13271	3.0
142.07776	2.9
143.08543	4.2
145.04953	29.9
145.10107	7.4
155.08589	2.7
156.09300	4.0
157.10127	3.8
159.11842	3.0
163.11128	4.7
167.10712	4.6
171.11800	2.8
173.13387	3.0
180.08733	5.8
181.12242	2.7
183.11696	3.7
207.11755	2.6
221.15292	3.5
239.23657	24.7
257.24747	4.3
321.22195	2.4
339.28595	3.4
348.26999	2.5
383.23007	4.4
383.27914	46.2
401.29016	100.0
484.92563	2.5
518.33154	3.7
598.27466	6.1
598.39825	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	598.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.1
55.01861	4.8
55.05503	24.1
56.05603	3.1
57.03440	21.1
57.07066	6.9
66.24354	3.1
67.05504	70.2
69.03414	4.3
69.07083	18.1
71.08627	3.4
78.61595	2.6
79.05496	46.8
81.03420	94.0
81.07063	76.4
83.04976	12.4
83.08630	25.5
85.06563	4.6
91.05482	50.3
93.07047	61.9
95.04979	30.2
95.08614	54.8
97.06535	8.3
97.10161	7.1
98.20798	7.8
105.07037	39.6
107.04952	7.9
107.08581	26.8
109.06496	4.6
109.10147	23.1
111.08060	9.2
117.07013	8.8
119.08585	33.3
121.10126	30.2
123.08004	3.9
123.11692	7.6
125.09638	7.7
129.06995	10.3
131.08566	29.7
133.06500	4.7
133.10130	21.8
135.08054	3.5
135.11710	14.1
137.09660	5.7
142.07831	3.1
143.08554	6.9
145.10083	14.2
147.08052	7.6
147.11693	22.4
149.09610	6.1
149.13213	7.3
151.11105	3.5
155.08586	5.7
157.10143	18.7
159.11655	9.7
161.09499	3.9
161.13278	8.2
163.11206	5.3
163.14861	5.0
167.10641	5.2
169.10130	5.3
171.11714	4.4
173.13252	5.4
175.11191	9.1
175.14854	3.4
179.31857	2.9
181.10081	2.9
187.14853	4.5
189.11182	5.2
193.12193	23.9
197.13506	3.2
199.11298	3.2
211.13289	6.0
227.12773	6.7
233.15359	4.1
243.21045	6.1
261.22186	18.2
267.15912	100.0
285.16974	6.1
301.25305	7.1
317.24689	4.3
335.25809	74.0
337.26981	4.0
350.01007	3.7
435.32431	8.3
453.33514	11.5
471.34781	5.1
489.42520	4.0
509.36737	4.4
527.30066	5.0
527.37402	64.9
545.38422	39.7
563.39142	6.4
598.39667	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.2
55.05511	32.8
55.54759	3.5
57.03446	26.3
57.07074	3.5
63.26039	3.2
66.57836	3.5
67.05511	85.2
68.82400	3.0
69.03406	5.3
69.07072	18.0
69.66661	20.2
71.04995	6.3
77.68883	3.2
79.05495	65.6
81.03421	78.9
81.07063	78.5
83.04980	9.9
83.08626	29.2
85.06560	5.5
87.04469	3.9
89.47159	3.7
91.05492	47.7
93.07053	62.9
95.04981	34.1
95.08617	55.1
97.06556	7.8
97.10185	10.4
99.08128	5.1
105.07027	46.0
107.04955	8.5
107.08597	37.4
109.06513	7.1
109.10143	23.9
111.08088	11.4
113.32285	3.6
117.07038	12.4
119.08612	28.8
121.06495	4.4
121.10127	33.7
123.08122	4.0
123.11692	7.5
125.09648	4.1
129.07010	13.1
131.08563	23.3
133.10115	25.9
135.11670	17.6
137.09581	5.7
137.13214	4.3
142.07835	5.3
143.08578	5.4
145.10149	14.5
147.08028	4.4
147.11719	18.9
149.09636	11.1
149.13223	11.4
157.10133	12.0
159.11720	11.9
161.13289	8.1
163.11234	5.9
165.12785	3.4
169.10147	3.8
173.13278	9.8
175.11252	17.5
175.14940	4.1
185.13208	5.5
187.14908	6.7
193.12247	23.2
197.13364	4.4
211.13235	6.6
227.12788	7.6
243.21045	7.5
261.22098	22.1
267.15933	100.0
273.13321	3.7
285.16983	13.9
335.25778	92.6
338.53732	3.7
423.21643	4.1
435.32617	6.1
453.33600	10.1
471.34677	6.9
520.12756	3.8
527.37280	82.4
533.46405	4.0
545.38483	50.2
563.39471	9.5
598.38507	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	599.2504
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
55.05503	1.1
57.07068	1.0
67.05511	3.3
68.05579	0.5
69.07073	1.3
71.12286	0.6
71.12608	1.0
79.05502	1.8
81.07075	3.7
81.07452	0.6
83.04981	0.5
83.08641	1.0
85.06555	0.7
89.06038	1.8
91.05479	2.2
93.07044	3.1
95.05007	0.7
95.08617	3.2
105.07038	2.4
107.08586	1.3
108.08182	0.6
109.10168	1.1
119.08591	2.8
121.10166	2.4
123.11703	1.1
131.08591	1.2
133.10170	0.9
135.08058	0.8
135.11653	0.6
142.24419	0.5
143.08563	1.5
145.10088	0.9
147.08078	0.7
147.11710	0.8
155.08569	0.7
157.10168	1.7
159.11694	0.8
165.09105	1.5
169.10132	1.1
171.11656	0.7
181.12172	0.6
183.11702	0.7
185.13240	0.6
203.14400	0.8
207.13829	0.6
209.10767	0.7
209.13235	0.7
221.15402	3.2
222.11545	1.3
223.12347	0.9
235.12248	0.8
236.13226	1.2
237.13879	2.0
238.14754	1.0
249.10257	0.7
249.13927	1.2
249.21651	0.6
250.14746	0.8
250.65144	0.5
251.11874	1.6
251.15631	1.2
261.13998	0.8
264.12570	1.0
265.13232	0.8
279.14969	1.3
314.16467	1.4
315.17200	0.6
324.15033	1.1
325.14658	0.7
328.18094	1.1
329.19049	0.7
330.19666	1.6
336.15140	0.6
337.15649	0.8
338.16168	1.2
339.16113	3.1
340.17245	1.9
341.17822	0.8
351.16504	1.7
352.17798	1.9
353.17755	3.7
354.18430	5.3
355.19650	0.6
358.19208	1.8
363.16199	1.8
364.17325	2.0
365.17682	1.9
366.19022	1.0
367.15195	1.0
367.19342	1.5
368.20413	1.1
369.20773	14.8
369.25177	1.0
375.16055	1.1
377.17603	2.0
378.18893	1.1
379.19333	6.4
380.20483	1.1
381.16794	1.2
381.21161	1.2
382.17963	1.7
389.17969	0.7
391.15213	0.7
391.19736	1.2
393.16663	0.9
393.21030	1.5
394.18259	0.9
395.18637	1.7
397.20294	5.9
398.21005	0.7
405.21283	1.2
408.20084	0.7
409.20538	2.5
410.18430	1.3
419.18576	1.1
421.20486	1.2
423.22333	1.2
424.23047	1.2
425.19748	22.0
425.25250	1.2
426.21280	1.3
436.18652	0.6
437.20004	2.6
439.21332	1.1
440.22440	1.4
441.22754	1.5
444.22665	1.1
448.19217	1.1
449.19647	0.6
450.21756	0.6
451.21381	12.8
452.21902	2.3
453.18820	3.2
455.25003	3.2
456.25549	4.3
461.19794	2.0
462.20438	2.6
466.21469	0.6
467.25137	2.6
468.21722	2.0
469.22592	1.1
479.20694	0.8
480.21387	0.8
483.24112	2.8
484.24759	7.6
489.19107	1.2
493.22055	1.1
495.23877	0.7
497.21872	1.8
498.72739	0.6
511.23486	5.5
512.24207	35.1
515.79980	0.6
518.33527	0.7
519.34314	2.5
521.21838	2.4
539.22888	37.4
540.23273	0.6
554.22491	0.6
555.25916	1.2
567.22589	1.1
571.25183	0.6
581.23206	1.2
582.22308	2.4
598.62573	0.7
599.25031	100.0
599.40784	4.5
599.50305	1.8
600.25610	1.3
616.95917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2503
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
53.69322	0.6
55.05513	2.9
57.03437	0.8
57.07074	2.4
67.05511	4.2
69.03430	2.2
69.07070	4.5
70.06596	1.6
79.05511	3.5
81.07059	6.6
81.37699	0.6
83.04989	1.4
83.08634	2.1
88.07654	0.7
91.05492	6.1
93.07056	10.6
95.04993	2.0
95.08610	6.1
97.06554	1.9
98.98483	0.9
103.05457	1.0
105.07043	9.3
107.08591	7.1
109.06551	2.1
109.10178	3.0
116.07140	0.6
117.07018	1.4
118.06615	0.7
119.08591	7.4
121.06541	1.2
121.10157	10.8
123.08094	3.0
123.11742	1.0
128.06244	0.9
129.07050	1.3
130.07843	1.0
131.08595	4.5
133.06546	0.8
133.10153	6.1
135.08080	2.8
135.11725	2.4
137.09633	1.7
139.11229	1.2
142.07841	2.4
143.08562	4.1
144.09401	1.0
145.10146	7.0
145.47751	0.6
147.08047	3.3
147.11760	1.9
149.06036	1.8
149.09651	2.7
151.07532	3.1
155.08601	1.4
155.10777	0.8
156.09409	2.3
157.10101	4.8
159.08096	1.5
159.11748	3.0
161.09676	1.5
161.13293	1.6
163.11234	1.8
165.07063	0.9
165.09135	4.0
166.07918	0.7
167.08595	1.2
167.09230	0.8
167.10686	11.0
168.09476	0.7
169.10150	2.8
170.10970	1.7
171.11700	4.0
173.09660	1.5
173.13301	2.7
175.11205	1.4
175.14807	1.6
181.10127	1.7
181.12308	1.9
182.10930	0.8
183.11763	3.2
185.09715	0.9
185.13342	1.6
187.14842	1.5
189.12737	1.3
191.14389	0.7
193.10173	1.8
194.00967	0.7
195.11757	1.9
195.44046	0.7
197.13348	1.6
199.11266	1.2
201.12863	0.8
201.16464	0.9
203.14331	1.5
207.11839	1.2
207.13847	2.2
209.13327	2.0
211.14934	1.4
213.12738	1.4
215.14304	1.3
219.11694	0.9
221.13388	1.5
221.15341	9.4
223.14774	1.2
233.13367	0.9
233.15445	4.0
235.14813	1.5
244.12244	0.7
247.14888	1.2
247.17120	0.9
249.16487	1.0
255.17628	0.8
259.14807	0.9
261.16507	1.0
265.19473	0.9
273.18558	1.0
284.29599	0.7
285.18677	0.7
285.29929	0.8
299.20212	1.4
339.28900	3.7
341.10013	0.9
363.16031	1.0
365.17935	1.5
365.24951	1.1
366.19803	0.7
377.17816	1.2
378.18558	0.7
379.19211	1.0
391.19510	1.2
391.26404	1.3
393.20840	1.6
406.17404	0.8
407.18106	1.0
407.22568	2.4
408.19446	1.0
409.20535	1.9
420.19672	1.3
421.19977	4.5
422.20490	0.9
423.21902	1.8
424.19138	1.3
425.19440	1.1
433.16251	1.1
434.21680	0.9
435.18146	2.7
435.22900	1.4
436.22617	2.3
437.23752	4.4
439.21381	3.4
447.22287	3.2
448.18869	1.4
449.19061	5.6
450.18546	0.9
450.24261	1.7
451.21378	1.4
463.20532	7.2
464.22256	2.2
465.22595	1.3
467.20441	0.8
473.23788	0.8
475.21109	13.5
476.22266	1.6
477.22571	1.0
481.26764	1.1
491.24533	3.4
493.26379	1.8
494.23337	1.1
497.21860	1.0
498.22342	0.8
503.20383	0.8
507.34839	1.6
508.20816	1.1
509.25562	13.3
512.24396	2.0
519.23993	2.6
519.34912	1.0
522.22528	0.8
527.26605	13.9
535.23334	1.4
536.23773	0.8
537.25024	19.9
538.24304	0.9
540.23779	0.9
553.24738	6.1
555.26172	4.3
563.22699	1.6
581.23865	10.1
581.39508	3.2
599.25098	100.0
599.40240	22.4
600.25275	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	599.4095
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
50.55054	1.5
53.03940	4.4
55.01867	2.8
55.05510	9.9
57.07074	9.6
58.96264	1.6
59.04989	3.4
65.03935	2.6
67.05503	15.1
69.03413	7.6
69.07065	15.9
69.27027	3.7
69.27433	12.0
79.05489	15.8
81.03429	4.5
81.07063	22.6
83.04977	5.4
83.08611	7.0
85.06552	3.6
89.06089	1.6
91.05479	22.8
93.07044	53.1
95.04958	11.0
95.08614	24.2
97.06521	7.9
103.05512	2.0
105.04449	1.6
105.07024	46.9
105.07697	3.5
107.08588	27.5
109.02857	2.4
109.06502	7.9
109.10155	13.8
111.11694	4.3
115.05435	3.3
116.06248	1.8
116.07018	1.6
117.07032	8.1
119.04964	2.9
119.06083	1.9
119.08583	35.3
121.06514	5.6
121.10150	67.0
123.08073	17.0
123.11726	5.8
125.05949	2.3
125.09612	3.3
127.03912	5.2
128.06219	6.7
129.07007	9.4
130.07834	5.1
131.08560	19.9
133.06493	3.7
133.10132	25.4
135.08034	9.4
135.11676	8.3
137.09602	5.1
139.11171	5.2
141.07019	4.6
142.07762	9.8
143.08540	17.6
144.09294	2.9
145.04849	1.7
145.10135	30.8
147.08047	10.9
147.11682	9.6
149.09622	19.0
149.13258	1.7
151.07532	15.2
151.11201	1.6
155.08527	9.4
155.10629	2.3
156.09344	9.1
157.10127	26.4
158.10895	2.8
159.08049	8.7
159.11700	16.7
160.08847	1.8
161.09648	6.8
161.13242	4.0
163.11185	6.3
165.06917	2.0
165.09109	14.4
167.08534	6.8
167.10674	100.0
168.09335	3.2
169.10121	15.0
170.10883	5.0
171.07980	2.2
171.11685	17.0
173.09634	6.1
173.13228	11.1
175.11192	5.0
175.14816	6.0
177.09036	2.1
179.08588	4.0
180.09190	2.3
181.10106	6.9
181.12263	6.1
182.10997	4.0
183.08052	1.9
183.11760	10.7
185.09628	5.0
185.13277	6.9
187.11156	2.6
187.14806	4.5
189.12764	6.8
191.14284	2.5
192.09282	3.6
193.10135	5.5
194.10907	3.7
195.11693	12.0
197.13232	11.9
199.11220	4.5
199.14804	4.4
200.11743	2.4
201.16286	2.3
203.14287	8.4
206.10976	1.8
207.11661	8.7
207.13795	7.6
208.12459	3.0
209.13231	10.3
209.15334	5.2
210.13908	1.9
211.11131	2.8
211.14786	5.3
213.12758	4.8
213.16374	2.1
215.14372	4.8
217.15765	3.1
219.11696	3.6
219.13777	3.7
220.12468	2.3
221.13260	7.3
221.15375	33.0
222.13765	1.9
223.11223	2.2
223.14836	6.6
225.12749	3.9
225.16325	5.7
227.14227	2.9
229.15785	3.2
231.11728	1.9
232.12430	3.0
233.13257	3.5
233.15334	30.4
234.13893	2.1
235.14758	4.4
237.12740	2.6
237.16379	5.1
239.14218	1.8
239.17859	1.7
245.13232	3.5
247.14787	4.4
247.17000	5.9
249.10849	3.4
249.16365	5.0
251.14369	2.7
251.17934	3.6
253.15836	1.8
259.14706	2.2
261.16379	3.9
263.17908	3.2
265.15851	2.3
269.19083	1.8
273.18649	4.7
281.18900	1.9
283.20593	3.2
286.19360	2.4
287.19965	2.5
293.18726	2.4
299.20010	6.4
311.20078	7.2
325.21640	2.5
339.28790	4.5
353.24658	1.8
361.25537	2.0
365.24692	6.2
373.25415	2.0
377.24475	1.9
384.28329	2.2
391.26294	4.9
402.29227	3.9
417.27896	1.8
419.29791	2.6
485.86572	2.0
507.34412	3.4
519.34253	5.4
563.38397	2.6
581.39679	22.8
599.41418	96.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	4,4'-Dihydroxydiatoxanthin
Peak:m/z	Relative Intensity
52.00701	1.5
53.03954	3.5
55.05508	11.2
55.73326	1.9
57.07083	5.6
59.05007	2.8
65.03938	2.7
67.05506	17.0
69.03432	8.9
69.07071	14.6
75.55078	1.7
79.05499	17.2
79.49635	1.3
81.03444	2.0
81.07064	24.3
83.05000	6.5
83.08633	8.4
85.06551	6.3
91.05486	24.6
91.06030	2.2
93.07052	43.6
93.07641	2.4
95.04966	14.9
95.08612	25.1
95.12263	1.4
97.06519	8.3
97.10201	2.7
98.98479	2.3
103.05500	2.6
105.07037	43.5
107.04984	2.1
107.08593	27.9
109.06555	6.4
109.09518	2.3
109.10155	13.1
111.08129	3.2
111.11734	2.5
113.09679	2.0
115.05476	3.7
117.07005	8.7
119.04948	2.4
119.08584	36.8
119.09351	2.6
121.06529	6.9
121.10152	58.5
123.08082	19.1
123.11718	5.0
125.09676	5.7
128.06274	4.3
129.07014	7.5
130.07797	3.9
131.08571	20.7
133.06535	4.2
133.10149	27.7
135.08046	11.2
135.11671	11.1
137.06035	1.9
137.09637	7.0
139.11212	6.8
141.07039	4.2
142.07748	11.1
143.08566	16.8
144.09398	3.6
145.06563	2.2
145.10135	34.7
147.08038	10.6
147.11731	7.1
149.09625	15.5
149.13263	3.2
151.07541	15.8
151.11192	2.5
154.07933	2.6
155.08617	7.2
156.09322	7.5
157.10147	26.9
158.07437	2.0
158.10934	3.1
159.08089	8.0
159.11703	16.4
161.09660	6.7
161.13303	6.1
163.11212	5.6
165.07114	2.8
165.09116	12.1
167.08525	4.5
167.10695	93.5
168.09381	3.6
168.10765	1.5
169.10155	12.2
170.10924	3.8
171.08185	1.9
171.11687	16.7
172.12447	1.9
173.09656	3.5
173.13321	11.9
175.11192	4.3
175.14882	6.0
177.09189	1.5
177.12828	2.6
179.08592	4.9
180.09404	3.5
181.10188	7.1
181.12296	6.5
182.10941	4.8
183.11699	11.5
185.09641	4.5
185.13274	9.2
187.11263	3.6
187.14864	7.0
189.12825	9.1
191.14368	5.9
192.09486	3.0
193.10121	8.3
194.10973	4.4
195.11754	11.4
195.13618	3.0
196.12488	2.5
197.13263	10.8
199.11285	3.5
199.14925	5.0
201.12851	4.2
201.16513	2.1
203.14403	6.8
205.10281	1.9
205.15965	3.1
207.11787	7.2
207.13892	8.6
208.12488	3.8
209.13353	11.9
209.15268	3.5
211.11308	1.9
211.14772	7.5
213.12724	3.0
215.14339	5.3
217.15907	2.3
219.11717	3.4
220.12547	1.7
221.13278	7.8
221.15472	28.3
221.17372	2.5
222.13947	2.8
223.14905	5.9
225.12880	2.9
225.16467	2.3
227.14407	2.8
233.13304	4.3
233.15355	29.0
234.14113	1.7
235.14897	4.1
237.12892	2.6
241.19774	1.9
244.12526	2.3
245.13310	3.3
247.14999	3.9
247.17177	2.5
249.16449	3.2
251.18034	2.3
253.16013	2.9
258.14267	2.1
259.14700	2.1
263.18103	2.4
265.15750	1.7
265.19351	1.7
273.16110	2.2
275.17972	2.6
283.20660	3.5
285.18738	2.8
287.20230	3.9
289.19534	2.7
299.20135	7.2
303.20676	2.0
311.20322	3.1
313.21838	2.5
335.23975	2.2
339.29004	9.7
365.25046	4.4
391.26401	4.4
563.39111	3.3
571.41388	1.9
581.39990	22.1
599.41064	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01866	1.5
55.05516	10.0
55.06734	1.2
55.39817	1.1
57.07078	7.1
59.04995	2.8
60.65213	1.2
62.53240	1.2
64.49400	1.4
65.03955	2.8
67.05505	15.5
68.05846	1.8
69.03428	7.4
69.07082	8.7
71.52666	1.8
71.53032	1.7
79.05502	15.9
81.07058	21.8
82.07384	1.5
83.04990	6.0
83.08624	5.0
85.06550	5.0
91.05486	19.4
93.07048	30.5
95.04981	12.8
95.08611	18.2
97.02871	1.4
97.06548	6.8
103.05489	1.6
105.07036	33.9
107.04941	2.7
107.08600	27.9
108.08926	1.5
109.06519	8.1
109.10174	10.2
111.08109	2.0
115.05466	2.2
117.07053	6.8
119.08588	29.9
121.06503	6.2
121.10149	39.0
123.08071	12.6
123.11727	5.1
125.06010	4.7
125.09635	3.7
128.06248	5.6
129.07019	5.9
130.07840	3.4
131.08559	19.5
133.06442	2.2
133.10146	18.9
135.08078	10.3
135.11703	8.5
137.09644	6.6
139.11206	1.8
141.06993	4.2
142.07767	10.8
143.08575	17.2
144.09358	3.1
145.06503	1.5
145.10129	22.7
146.07341	1.4
147.08049	11.9
147.11728	8.6
148.92191	1.4
149.09636	12.1
149.13280	1.7
151.07520	13.7
153.09088	1.8
154.07822	1.5
155.08575	7.1
155.10664	1.4
156.09341	7.9
157.10135	21.9
158.10809	3.4
159.08070	8.4
159.11714	16.6
161.09663	4.9
161.13292	4.6
161.35773	1.6
163.11186	9.8
165.07036	4.0
165.09152	14.8
166.07831	2.7
167.08578	5.4
167.10677	28.7
168.09373	2.6
169.10181	10.1
170.10933	4.3
171.11728	14.2
173.09615	4.4
173.13286	9.6
175.11223	4.6
175.14854	4.3
177.12781	2.2
179.08559	3.7
180.09416	2.6
181.10155	5.4
181.12242	10.0
182.10881	4.1
183.11703	8.8
185.09656	3.1
185.13229	6.3
187.11215	4.3
187.14838	3.8
189.12836	4.7
191.14346	2.9
192.09291	2.4
193.10168	5.4
194.10973	4.2
195.11732	8.9
196.12471	3.4
196.56674	1.3
197.09773	1.7
197.13272	9.5
199.11241	3.0
199.14882	4.6
200.25142	1.4
201.12720	2.4
203.14316	8.3
205.10168	1.9
206.10889	2.6
207.11745	6.6
207.13821	5.8
208.12492	3.3
209.13277	9.4
209.15247	2.7
211.11189	3.0
211.14806	3.5
213.12798	3.1
213.16449	2.6
215.14328	5.4
217.10107	1.4
217.15906	1.9
218.10979	1.8
219.11850	2.5
220.12442	1.8
221.13297	7.0
221.15433	25.5
223.14859	4.3
225.12756	3.6
225.16371	2.3
227.14383	3.2
231.11589	2.3
231.13876	1.6
233.13298	2.9
233.15381	21.8
234.13947	1.9
235.14975	4.3
236.37764	1.7
237.12814	2.1
237.16652	3.4
239.17935	2.8
245.13176	2.7
247.14868	3.9
248.15457	2.0
249.16594	2.8
251.14337	2.6
251.18021	1.8
253.16087	1.7
257.19040	3.1
258.14166	1.6
261.16406	2.6
261.22318	2.1
262.22562	3.4
263.17841	1.5
265.15839	1.9
267.17590	2.4
269.18988	1.6
273.16284	2.1
281.18997	4.4
283.20483	2.8
285.18619	3.4
289.19501	1.3
293.19241	1.8
299.20126	4.2
315.21091	1.6
317.19058	2.0
329.29153	1.7
336.26437	1.8
337.26346	2.2
364.62524	1.7
365.24915	2.9
373.25455	1.7
377.24857	1.7
391.26175	2.7
441.29990	1.7
507.34717	29.2
560.06219	1.6
581.39972	15.0
599.40948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01870	8.8
55.05508	3.5
57.03431	2.3
57.81452	0.9
65.03954	1.0
67.05505	6.9
68.33823	1.0
69.03438	9.7
69.07058	7.9
69.62441	5.9
70.06593	1.8
71.04995	4.8
77.14880	0.8
79.05501	8.7
81.03422	22.1
81.07057	16.6
83.04961	2.6
83.08649	1.1
85.02901	3.8
85.06544	4.4
86.09702	2.8
91.05460	5.3
92.18495	0.9
93.07050	23.9
95.04977	5.9
95.08606	8.0
97.02878	5.8
97.06525	11.1
98.21491	1.8
99.04456	10.2
101.06027	1.2
105.01898	1.6
105.07038	21.3
107.04963	1.9
107.08595	37.6
109.02882	19.3
109.06523	9.0
109.10143	2.9
111.04452	2.2
111.08077	5.8
113.06006	3.1
117.07033	2.9
119.08581	8.0
121.06501	10.9
121.10150	22.3
123.08066	6.2
125.05986	1.9
127.03928	19.6
127.07574	2.2
130.07794	1.9
131.08583	3.5
133.06432	1.4
133.10150	1.2
135.08040	3.8
135.11674	9.8
137.09619	1.8
139.07526	1.1
139.11159	2.5
143.08583	1.3
145.02872	3.5
145.04884	1.1
145.10127	21.4
147.08043	1.8
147.11700	4.5
149.05949	1.9
149.09618	10.8
151.07567	5.8
152.81506	0.8
158.07207	1.0
159.11577	1.2
161.09743	1.3
163.11188	57.6
165.09190	1.0
167.10684	17.8
169.08611	59.8
171.11707	1.2
173.09671	6.0
175.11121	1.0
177.05490	7.2
179.10634	0.9
181.12234	12.4
184.07320	6.9
185.09755	1.0
185.11713	3.3
191.10672	27.5
209.11726	33.3
227.12791	100.0
235.13246	1.1
236.16550	0.8
245.13834	2.5
255.12376	3.0
269.13858	7.3
271.13315	2.3
275.20117	1.6
277.10901	1.0
289.14435	5.0
299.20050	1.9
305.13721	1.0
307.15259	1.0
309.17242	1.7
311.14948	1.1
317.13840	3.1
317.21100	4.7
333.50226	1.0
335.14844	7.0
335.22177	6.2
353.15936	43.6
371.16992	28.0
389.17963	3.3
462.57709	1.0
495.59082	1.0
600.26514	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	8.1
55.01639	0.9
55.01876	10.3
55.05512	1.0
55.93262	0.7
57.03445	4.7
59.04995	0.8
61.02930	8.2
67.05495	2.9
68.76942	0.8
68.99783	3.5
69.03436	30.4
69.07064	1.1
70.62171	1.4
70.62517	1.2
71.05003	6.7
72.08163	1.5
73.02917	9.6
79.05476	1.6
80.18633	0.7
81.03426	34.5
81.07081	3.9
83.04973	0.8
85.02913	100.0
87.00838	41.3
91.03986	1.6
91.05460	2.0
93.07031	3.3
95.08590	3.4
97.02899	44.6
97.06510	1.0
97.10172	1.6
98.06042	0.8
99.04465	21.3
99.05112	1.4
105.01871	51.9
105.07032	2.6
107.08575	2.9
108.04463	4.2
109.02888	40.7
109.10153	4.5
115.03937	1.6
117.01850	5.0
117.07021	0.9
119.08563	2.7
121.10159	1.9
123.11681	2.2
126.05543	2.4
127.03926	83.7
129.01857	6.0
133.10120	2.5
135.11688	2.6
145.04976	43.2
145.10004	0.8
147.02887	4.1
147.11688	5.0
149.13280	1.8
159.02907	24.2
159.11652	0.9
161.13283	6.5
162.46745	1.0
173.13264	2.5
175.11226	1.5
177.03947	1.6
187.14853	2.1
189.03905	1.5
193.12245	1.9
207.13779	0.9
213.03928	6.2
230.06500	1.5
231.05016	30.0
243.21115	29.9
243.22957	0.7
248.07742	4.2
249.06088	7.4
253.19456	2.3
266.08658	2.9
271.20557	19.6
289.21643	27.6
317.21167	6.6
335.22208	6.5
519.25745	3.6
565.26526	21.9
600.29675	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	5.1
55.01872	5.3
55.05511	19.1
57.07066	15.3
57.29621	3.1
59.04975	5.2
65.03933	6.9
67.05500	33.1
69.03419	16.2
69.07069	17.3
70.81814	3.2
71.04974	6.9
76.93661	3.1
79.05492	35.4
79.42516	3.1
81.03408	9.9
81.07051	49.0
83.04969	17.5
83.08607	13.6
85.06538	12.9
89.06023	8.0
91.05485	55.5
93.07047	70.2
95.04978	29.9
95.08608	45.9
97.06537	17.5
103.05476	5.3
103.30779	3.7
105.07027	100.0
107.04963	5.8
107.08594	71.7
109.06523	24.6
109.10148	30.0
111.04383	3.8
111.08073	7.5
115.05460	6.3
116.06182	3.7
117.07035	21.1
119.04939	3.8
119.08583	88.8
120.09406	4.7
121.06492	16.1
121.10152	51.2
123.08073	44.1
123.11710	6.8
125.05991	6.6
125.09619	11.5
128.06216	17.4
129.07008	29.0
130.07779	9.5
131.08571	54.2
132.09322	3.9
133.06480	9.0
133.10121	61.8
135.08057	23.6
135.11691	13.7
136.54420	3.4
137.09622	19.7
139.11182	4.8
141.07004	11.4
142.07790	29.3
143.08571	55.1
143.76192	3.3
144.09325	17.7
145.06509	6.0
145.10120	82.4
146.07237	4.5
146.10941	6.8
147.08052	28.2
147.11688	23.9
149.09641	18.2
150.10358	4.2
151.07553	17.8
153.06970	8.0
155.08582	26.5
155.10635	8.8
156.09328	19.0
157.10127	89.5
157.11336	6.8
158.10895	17.0
159.08084	13.8
159.11678	48.7
160.08786	8.9
161.09613	24.2
161.13240	11.9
162.87677	3.9
163.11223	21.3
165.06984	7.2
165.09120	47.6
166.07747	3.9
167.08546	11.8
167.10674	10.3
168.09384	10.2
169.10114	29.4
170.10892	10.3
171.11662	55.4
172.12506	7.9
173.09613	14.0
173.13272	20.6
175.11191	36.3
175.14787	13.0
177.12636	5.7
179.08514	12.1
179.10698	5.2
180.09300	6.3
181.10146	25.8
181.12207	13.4
182.10928	13.2
183.11691	31.2
184.12415	12.1
185.09610	6.9
185.13274	28.6
186.13867	6.4
187.11183	8.4
187.14821	7.0
188.11955	4.7
189.12724	19.8
190.13504	10.4
191.14293	7.9
192.11438	3.6
193.10153	21.6
193.12245	11.7
194.10837	10.3
195.11710	28.9
195.13354	4.9
196.12450	7.6
197.09592	6.5
197.11649	5.5
197.13234	29.2
199.11180	9.2
199.14792	10.5
201.12775	11.0
203.14305	28.4
206.10931	6.6
207.11722	16.7
207.13826	20.7
208.12584	8.5
208.14589	8.3
209.13277	25.3
209.15022	5.7
210.13998	6.6
211.11230	8.7
211.14825	20.6
213.12729	13.0
213.16313	6.7
215.14380	9.8
219.11818	4.6
219.13844	8.9
220.12538	7.3
221.13268	14.8
221.15343	98.6
222.15765	7.1
223.14848	20.2
225.12585	7.5
225.16309	8.1
227.14445	4.7
229.15930	4.0
231.11734	4.5
231.13829	5.5
232.12552	5.1
233.13303	7.5
233.15361	12.6
234.16145	11.0
235.14908	11.4
237.12708	10.7
237.14882	24.8
239.14352	5.4
239.17932	5.3
243.11565	3.8
245.13127	5.6
247.14787	8.5
247.16965	13.1
248.14053	10.2
249.16463	9.3
253.15910	8.8
255.17421	22.2
259.16965	4.7
261.16434	10.8
263.18008	5.7
267.15897	8.3
268.18384	4.2
269.19205	4.5
270.19839	7.0
271.17087	7.7
274.19333	21.3
277.19440	5.9
279.17383	4.9
281.19150	4.5
285.18552	6.9
286.19287	18.1
287.19995	14.7
294.19846	4.8
295.20444	6.8
297.18655	6.0
299.20010	14.9
303.19452	45.9
312.20959	9.8
313.21725	24.8
325.21600	18.7
337.21634	11.8
337.27362	6.5
352.23999	86.4
365.24847	23.3
377.24722	5.6
383.26260	5.3
415.25336	4.9
420.30338	4.7
422.82791	3.5
454.30695	5.1
490.34457	4.8
502.34271	11.7
503.35168	5.9
505.32950	5.4
507.34488	14.9
520.35431	73.6
529.38684	14.9
547.39886	4.4
568.26465	6.0
582.40662	4.9
600.26062	6.2
600.41907	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	600.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.0
55.01873	5.2
55.05507	18.6
57.07074	12.0
59.05006	3.0
65.03943	6.4
67.05509	41.9
69.03431	9.1
69.07069	22.0
69.24290	9.5
69.24701	16.9
70.91962	3.0
71.05003	6.7
72.41763	3.2
79.05066	4.6
79.05500	42.5
81.03401	6.2
81.07059	51.8
81.98982	3.2
83.04980	18.0
83.08614	20.6
83.33956	3.1
84.57710	2.7
85.06560	7.3
85.81532	2.7
87.04467	5.7
89.06036	15.2
91.05484	63.0
93.07048	76.4
95.04980	24.2
95.08604	41.7
97.06557	19.6
97.10176	6.9
98.20722	6.3
103.05471	3.6
105.07037	100.0
107.04932	3.8
107.08602	66.8
109.06527	17.5
109.10171	30.2
111.08086	6.2
113.09645	5.2
115.05458	9.4
116.19267	2.9
117.07028	28.3
118.38332	3.0
119.08587	91.3
120.09383	4.5
121.06529	10.8
121.10155	65.6
123.08086	33.1
123.11690	9.0
125.09655	14.6
128.06206	15.6
129.07008	23.4
130.07791	12.9
131.08563	52.7
132.09386	6.6
133.06488	7.2
133.08601	12.7
133.10136	61.3
135.08086	19.9
135.11685	13.9
137.09621	12.6
139.11073	5.7
141.07019	14.9
142.07777	31.9
143.08566	66.6
144.09323	11.9
145.06500	6.4
145.10136	73.9
146.07262	5.1
146.10892	4.2
147.08070	15.8
147.11687	28.4
149.09627	17.5
149.13188	3.4
151.07591	6.6
152.06267	3.2
153.07054	5.5
154.07759	3.8
155.08575	24.2
155.10692	12.5
156.09355	20.0
157.10133	75.2
158.10902	13.5
159.08078	19.7
159.11693	49.1
160.08850	8.7
161.09662	21.4
161.13240	11.1
163.11179	11.5
165.06978	5.6
165.09131	8.8
166.07822	6.6
167.08556	10.2
167.10695	26.9
168.09340	9.7
169.10132	30.6
170.10895	12.1
171.11684	46.8
172.08788	4.0
172.12535	5.1
173.09654	15.2
173.13266	31.0
174.13806	3.8
175.11180	21.2
175.14760	15.8
177.11237	6.1
177.12715	5.5
178.20807	3.4
179.08578	13.2
180.09296	7.1
181.10123	24.1
181.12207	6.8
182.10878	12.2
183.11714	32.4
184.12436	9.2
185.09700	4.1
185.13239	29.7
186.14072	4.5
187.11169	11.9
187.14838	10.7
189.12730	12.7
190.13499	5.5
191.14317	6.3
193.08623	3.2
193.10167	19.0
193.12202	8.6
194.10915	14.6
195.11740	29.4
196.12466	14.2
197.13298	34.0
198.13991	4.7
199.11237	8.2
199.14822	16.4
201.12732	8.7
201.16542	4.7
203.14310	17.9
205.10062	6.5
206.10933	7.4
207.11702	19.3
207.13670	6.2
208.12553	7.2
209.13290	30.4
209.15199	5.1
210.13969	7.7
211.11234	5.4
211.14867	22.2
213.12782	14.1
213.16376	8.6
215.14368	11.2
217.15923	7.4
218.10913	5.6
218.16570	4.8
219.11693	6.1
219.13817	4.9
220.12437	7.3
221.13287	16.5
221.15407	28.7
222.13853	6.3
223.14897	20.8
225.12814	7.7
225.16409	10.6
227.14302	9.8
229.15845	4.9
230.10983	4.0
231.11679	3.7
233.13300	6.8
233.15363	25.4
234.14087	4.5
234.16112	7.3
235.14822	10.9
237.16447	11.9
239.14322	4.1
239.18001	6.2
241.15883	5.2
245.13269	9.9
246.13879	5.0
247.14729	6.5
247.17001	4.1
249.16316	8.4
251.17941	7.2
253.15904	5.2
255.17455	35.8
259.14728	5.2
261.16437	8.4
263.18005	13.5
265.19437	5.4
265.25186	3.6
267.17505	4.1
269.19095	7.7
270.19788	8.7
272.15567	3.6
273.18594	10.0
275.17999	3.6
277.19510	4.1
279.17462	5.7
279.21326	4.8
281.18933	5.3
283.20547	4.5
286.19458	4.4
287.20230	5.1
289.19272	3.8
295.20572	6.5
299.20053	7.1
315.21173	3.5
321.22101	4.2
327.20807	5.5
347.23663	5.5
349.25571	4.7
352.23828	7.2
360.24332	3.9
365.24728	11.1
383.25894	12.6
415.25327	6.4
419.38062	3.6
549.37109	4.4
557.39899	6.2
567.38116	5.8
582.40045	6.2
600.26251	3.3
600.41852	29.4
617.52869	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.3
55.05507	6.1
55.11167	1.7
57.07079	15.1
59.04997	6.0
65.03944	3.2
67.05506	11.9
69.03427	7.7
69.07066	5.9
69.16981	10.1
69.17407	7.6
71.25757	2.4
77.04860	1.7
79.05499	15.0
81.07066	20.1
81.29125	1.7
83.04972	6.3
83.08627	2.7
85.06543	4.7
86.25242	1.7
89.06093	1.7
91.05479	28.9
93.07042	34.0
95.04977	7.8
95.08603	18.9
97.06535	5.5
99.88680	1.7
105.07038	48.5
106.07868	2.1
107.04951	2.1
107.08591	23.5
109.06532	11.2
109.10174	5.9
111.08073	3.1
113.48817	1.9
115.05427	2.9
117.07002	13.9
119.08586	60.0
120.09357	2.0
121.06506	7.9
121.10139	23.2
122.07265	2.4
123.08084	16.6
123.11751	1.9
125.05997	9.9
128.06227	4.2
128.80353	1.6
129.07019	10.7
130.07790	5.1
131.08572	21.2
132.09384	3.6
133.06485	3.7
133.08615	3.0
133.10129	22.7
134.10823	1.7
135.08054	21.5
135.11711	8.0
137.05971	2.4
137.09612	12.6
139.07545	3.5
141.07011	3.5
142.07803	9.5
143.08572	23.3
144.09317	6.8
145.06509	2.0
145.10123	38.7
147.08060	27.8
147.11708	10.4
148.08936	1.9
149.09604	11.8
151.07533	12.7
154.07809	2.8
155.08510	9.6
156.09340	9.4
157.10136	37.1
158.10883	5.7
159.08087	8.7
159.11693	26.9
160.08859	4.9
160.12474	3.4
161.09627	12.1
161.13268	6.4
162.10371	2.1
163.11166	18.3
165.07019	2.6
165.09122	50.2
166.07930	1.6
166.09407	4.2
167.08525	3.0
168.09282	5.3
169.10144	15.5
170.10878	4.8
171.11673	21.9
172.08806	2.9
172.12462	4.8
173.09599	9.1
173.13232	11.5
175.11179	23.0
175.14821	2.3
177.09111	2.3
177.12738	3.2
178.09935	2.8
179.08591	4.1
179.10715	2.0
181.10124	5.5
181.12250	21.5
182.10921	5.0
183.11714	13.9
184.12329	2.4
185.13266	10.6
186.13924	2.4
187.11179	8.4
187.14767	4.2
188.11694	2.3
189.12796	10.3
190.13513	8.1
191.10750	5.0
191.14381	2.1
193.10120	5.4
193.12250	16.6
194.10928	4.0
195.11690	13.8
195.13603	3.2
196.12460	3.1
197.09579	4.1
197.13293	9.5
198.10509	2.7
199.11197	7.0
201.12778	7.3
203.14322	21.3
204.14755	2.0
205.10133	2.2
206.11104	3.1
207.11719	6.3
207.13834	7.8
208.12665	3.0
208.14586	9.4
209.13316	9.4
209.15094	1.9
210.10455	2.0
211.11205	4.5
211.14795	9.1
213.12775	7.4
215.14322	5.0
219.13821	7.7
220.12401	2.1
221.13388	5.5
221.15358	100.0
222.15776	7.8
223.11148	2.9
223.14857	5.3
225.12698	6.2
225.16397	5.4
227.14305	3.7
229.15877	3.3
231.14040	1.9
233.13228	3.5
233.15326	5.0
234.16148	24.9
235.14771	2.6
237.12785	5.4
237.16315	2.7
239.14348	3.6
241.15868	5.2
245.15579	2.7
247.14760	4.0
247.16949	33.9
248.17747	2.9
249.16383	2.3
253.15915	3.9
255.17415	2.1
257.15332	3.0
259.17014	5.7
261.18643	2.5
265.15900	2.8
271.16934	3.4
274.19312	12.8
275.17868	2.3
279.17502	4.2
281.18994	3.6
285.18658	3.9
286.19254	4.7
287.20013	11.4
297.18463	5.0
299.20099	20.5
300.20792	3.9
310.19342	3.3
311.19983	4.2
312.20798	11.2
313.21646	9.9
319.20590	2.6
325.21609	18.4
326.22507	2.6
327.23099	3.0
337.21524	6.3
339.23233	5.3
340.24039	16.3
352.24005	36.2
353.24823	3.1
365.24783	6.6
366.25403	5.1
377.24725	2.2
379.26315	5.1
387.25531	5.0
391.26184	4.0
392.26700	3.7
400.26065	2.5
413.26749	6.5
419.29297	11.3
420.29971	6.0
425.26761	7.1
426.27631	5.5
427.28519	17.2
428.28915	2.3
440.29205	52.4
442.30804	4.4
454.30365	2.9
475.56406	1.8
493.33093	4.2
505.32507	2.6
507.34534	4.6
508.35257	6.8
520.35486	54.4
567.38086	2.6
585.39063	3.3
600.41504	43.4
600.55920	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05499	6.3
57.04916	1.4
57.07080	9.7
59.04981	3.7
65.03949	2.6
67.05502	10.6
69.03423	10.2
69.07054	5.7
77.03960	1.3
79.05502	12.6
81.07069	21.1
83.04987	6.7
83.08602	2.6
83.97461	1.2
84.92993	1.4
85.06530	5.4
89.06044	2.9
91.05485	26.4
92.06277	3.3
93.06481	2.4
93.07046	31.7
95.04953	7.7
95.08062	1.8
95.08608	21.3
97.06527	5.9
98.21550	3.2
103.05441	2.3
105.07037	49.1
106.07861	2.2
107.08588	20.6
109.06500	10.3
109.10139	5.0
111.08076	3.5
115.05380	1.7
117.07021	12.1
119.04924	1.5
119.08588	64.7
120.08860	1.4
121.06519	7.0
121.10154	20.9
122.94902	1.3
123.08072	22.1
125.06013	13.0
128.06233	5.1
129.07001	10.1
130.07764	3.9
131.08582	26.0
132.09364	4.0
133.06432	4.1
133.10124	21.5
134.24715	1.3
135.08063	22.0
135.11687	7.5
137.05945	3.8
137.09616	13.1
139.07545	3.2
141.06987	4.0
142.07811	9.0
143.08575	21.5
144.09280	4.7
145.06450	1.7
145.10127	37.9
146.10834	1.6
147.08064	25.9
147.11682	6.2
148.08473	1.7
149.09605	11.9
151.07542	12.6
154.07735	1.6
155.08546	11.8
156.09343	7.6
157.10133	33.8
158.10855	4.0
159.08023	6.2
159.11702	22.4
160.12505	2.7
161.09648	10.3
161.13271	7.2
162.10321	2.9
163.11185	23.4
165.06995	2.9
165.09132	48.2
166.09383	2.6
167.08659	3.4
168.09332	4.8
169.10130	14.5
170.10864	5.4
171.11702	19.5
172.12381	2.9
173.09645	9.6
173.13231	7.3
175.11195	22.3
175.14830	3.6
176.11955	1.7
177.09154	3.3
177.12712	1.7
178.09889	2.3
179.08501	2.4
180.09375	2.2
180.11404	3.4
181.10138	5.8
181.12224	24.7
182.10858	5.7
183.11710	12.4
184.12402	3.3
185.09656	3.5
185.13264	12.6
186.10403	2.2
187.11182	5.6
187.14864	3.1
189.12769	10.8
190.13557	8.5
191.10649	6.5
191.14354	3.7
193.10161	5.6
193.12248	14.0
194.10782	1.5
195.11699	11.2
195.13626	2.8
196.12431	4.0
197.09705	1.9
197.13293	11.3
198.10551	1.6
199.11224	7.7
199.14818	3.9
201.12704	11.7
202.13498	2.2
203.10686	2.2
203.14308	20.5
204.14728	2.1
207.11691	5.4
207.13802	11.3
208.12495	3.1
208.14554	10.8
209.13283	8.6
210.13927	1.7
211.11134	4.9
211.14795	8.9
212.11877	1.8
212.15411	2.3
213.12779	5.4
216.15039	2.0
219.11932	2.6
219.13797	8.0
221.13416	5.8
221.15366	100.0
222.15704	11.4
223.11153	2.7
223.14835	5.5
225.12767	4.2
225.16425	3.6
227.14249	4.0
228.15408	2.0
229.15855	3.4
231.13834	2.3
233.15338	3.6
234.16136	23.3
235.14780	3.6
237.12758	4.0
237.16388	2.5
239.14293	3.3
239.17917	2.5
240.18735	3.0
241.15729	2.5
243.13905	2.6
245.15523	1.7
247.14824	2.5
247.16949	36.3
248.17615	3.4
249.16310	2.8
251.14212	2.3
253.15886	2.6
255.13762	2.4
259.16904	4.3
261.18576	2.4
265.15863	2.0
269.15405	2.9
271.17026	2.8
273.18472	2.4
274.19296	14.8
279.17444	4.1
281.19052	4.2
283.26303	1.7
285.18454	3.7
286.19244	5.2
287.20117	12.8
297.18533	3.1
298.19312	2.0
299.20108	17.5
300.20706	3.9
307.20563	2.5
310.19370	2.4
311.20114	3.3
312.20825	12.4
313.21600	7.0
325.21579	17.9
326.22342	2.3
327.23083	4.5
337.21545	4.6
339.23138	5.3
340.23956	20.6
352.23950	33.2
353.24625	1.7
365.24768	6.2
366.25491	4.8
377.24701	4.4
379.26334	3.2
387.25345	5.8
391.26178	2.7
392.26837	5.0
400.26077	3.0
405.27686	2.0
413.26877	7.6
419.29669	9.3
420.30194	3.9
425.26917	9.5
426.27573	5.0
427.28442	20.8
428.29169	2.0
440.29269	62.4
442.30591	4.7
454.30307	2.8
506.33627	1.9
507.34717	3.0
508.35269	5.3
520.35468	48.4
521.35706	2.4
582.40393	2.1
585.38873	3.8
600.41614	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02401	2.3
53.03941	3.7
55.01861	2.3
55.05517	12.9
57.07065	9.6
59.05002	3.2
65.03923	4.1
66.46670	1.8
67.05513	21.1
69.03441	13.4
69.07076	13.2
79.05503	25.9
80.10995	2.3
81.03448	2.9
81.07056	28.9
83.04984	16.3
83.08617	6.0
83.41873	2.3
85.06551	6.5
85.32610	1.9
91.05478	48.4
93.07048	60.2
95.04967	19.8
95.08620	30.1
97.06554	6.8
103.05445	3.1
105.07036	77.8
106.07833	2.5
107.04930	6.8
107.08599	53.5
109.06528	14.9
109.10166	14.8
111.08122	5.3
115.05455	6.1
117.07025	20.0
119.08591	66.3
120.09371	3.3
121.06514	12.6
121.10163	35.9
123.08091	24.0
123.11681	3.1
124.67445	2.6
125.05972	6.5
125.09624	7.5
128.06200	11.5
129.07018	22.0
130.07791	7.5
131.04994	2.6
131.08572	33.5
132.09375	4.5
133.06499	10.2
133.10146	36.0
135.08083	22.8
135.11688	12.0
137.06055	5.0
137.09650	15.3
139.07538	2.9
141.06969	7.3
142.07790	28.4
143.08559	45.1
144.09358	10.6
145.06476	2.9
145.09053	4.5
145.10129	62.2
147.08060	31.6
147.11707	15.1
148.08882	2.8
149.09636	16.1
149.13199	2.1
151.07562	24.2
151.11203	2.7
153.09038	3.8
154.07739	3.4
155.08560	21.4
156.09337	17.1
157.10126	69.5
157.11325	4.4
158.10870	8.6
159.08035	17.7
159.11693	30.5
160.08852	3.0
161.09605	21.8
161.13286	6.4
163.07677	2.3
163.11194	19.6
165.07001	5.5
165.09123	43.7
166.07837	4.2
167.08574	6.0
167.10692	10.3
168.09358	6.9
169.10165	19.9
170.10896	9.3
171.11711	42.2
172.08801	2.6
172.12471	6.0
173.09634	9.9
173.13249	17.1
174.10425	2.5
175.11177	28.2
175.14841	6.4
177.09119	4.5
177.12769	3.8
179.08559	10.0
179.10649	6.0
180.09363	5.2
180.81390	2.2
181.10115	13.6
181.12210	10.9
182.10925	6.5
183.11673	16.5
184.12418	5.5
185.09590	6.3
185.13300	19.8
186.14030	4.4
187.11163	10.6
187.14854	5.4
189.12703	13.2
190.13535	9.8
191.10698	5.0
191.14304	3.4
193.10181	10.7
193.12248	14.4
194.10919	9.4
195.11716	21.9
195.13551	3.8
196.12451	5.7
197.09665	3.6
197.11626	4.3
197.13228	19.5
199.11208	8.0
199.14848	8.9
201.12755	7.9
203.14304	24.4
205.10150	3.0
205.12175	2.8
206.10918	5.3
207.11687	13.6
207.13817	15.6
208.12483	7.9
208.14540	5.8
209.09665	2.7
209.13264	16.8
209.15215	4.6
210.14067	5.8
211.11209	8.4
211.14806	13.3
212.11897	3.4
213.12775	11.7
213.16417	3.6
215.10619	3.2
215.14374	2.6
217.15799	2.7
219.11752	5.7
219.13823	8.3
220.12488	6.0
221.13268	11.5
221.15346	94.6
223.11284	3.8
223.14786	11.9
225.12761	7.0
225.16368	5.6
227.14264	6.8
229.12289	2.9
229.15833	3.8
231.11606	3.8
233.13243	7.3
233.15401	20.9
234.16170	14.6
235.14783	8.8
235.16905	3.5
237.12724	7.4
237.14713	38.9
239.14186	3.8
239.18082	3.7
241.15977	4.6
245.13129	2.7
246.13919	4.0
247.14825	3.8
247.16995	13.5
248.13971	13.2
249.13039	2.5
249.16406	5.8
250.15553	5.9
251.14256	4.3
253.15910	8.6
255.17439	24.0
259.14789	3.6
259.17194	4.3
261.16345	8.5
263.14212	2.6
263.18182	2.6
267.17407	3.1
268.18127	3.2
269.18982	4.4
270.19849	10.1
271.14447	3.1
271.17004	7.7
274.19357	13.2
277.19592	3.1
279.17459	5.5
281.18958	5.6
283.17108	3.5
285.18625	6.1
286.19290	16.9
287.20209	12.8
289.19492	2.6
291.96594	2.6
294.19769	6.8
295.20728	3.0
297.18680	2.9
298.19116	2.9
299.20099	17.6
303.19568	63.4
307.20718	3.2
311.20267	3.4
312.20886	5.7
313.21796	16.4
325.21613	22.2
328.24146	2.5
337.21466	9.7
351.23145	3.4
352.23981	100.0
359.23691	3.0
365.24719	19.0
377.24838	6.3
383.25839	7.9
420.30005	6.5
437.29962	2.8
454.30502	2.7
487.31644	3.8
489.34491	3.0
502.34586	18.3
503.35052	8.7
505.33020	5.0
507.34833	13.4
508.34903	5.3
520.35522	65.3
546.00580	2.7
582.41376	3.9
585.39093	4.5
600.41705	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.9
51.59512	2.2
52.64549	2.1
53.03936	6.3
53.48717	2.4
54.82713	2.2
55.01873	3.5
55.05512	18.3
57.07061	8.1
57.39050	2.3
59.05002	2.3
65.03938	5.0
67.05510	36.9
69.03438	11.8
69.07068	20.1
69.74735	5.1
69.75143	10.0
71.04979	7.0
74.47324	2.1
77.03884	2.9
79.05494	32.1
79.64290	2.2
80.06268	2.1
81.03419	3.3
81.07057	39.6
83.04975	22.4
83.08636	12.2
83.60200	2.3
85.06522	8.7
87.04446	6.2
91.05479	54.3
93.06488	4.1
93.07047	65.4
95.04967	26.0
95.08611	35.3
97.06532	20.8
98.20761	4.8
99.74762	2.1
103.05440	6.9
105.07033	100.0
106.07837	2.7
107.04968	5.4
107.08595	66.7
109.06525	21.3
109.10162	32.0
111.08065	7.1
113.09641	4.3
115.05478	4.6
117.07033	23.6
119.08586	85.8
120.09323	3.8
120.54296	2.1
121.06508	16.4
121.10149	53.3
123.08082	32.8
123.11704	6.3
125.09619	13.1
128.06239	16.6
129.07016	28.1
130.07784	10.2
131.08572	49.3
132.09334	6.0
133.06529	4.0
133.10143	49.9
135.08055	14.8
135.11691	11.8
137.09618	12.9
139.11172	6.7
140.50375	2.1
141.06985	15.2
142.07797	33.5
143.07510	4.4
143.08572	63.6
144.09349	16.8
145.06483	7.9
145.10124	74.8
147.08067	17.4
147.11693	22.1
149.09615	18.2
149.13231	2.6
151.07529	8.6
151.11119	3.3
152.06267	2.6
153.07016	7.1
154.07719	6.7
155.08582	27.6
155.10667	9.2
156.09349	27.2
157.10136	74.1
158.10916	9.5
159.08084	18.8
159.11694	51.0
160.08841	9.1
161.09653	19.8
161.13226	7.7
163.11176	9.7
165.07033	8.7
165.09140	9.4
165.12723	2.7
166.07825	6.0
167.08580	15.0
167.10672	21.0
168.09320	8.4
169.10124	38.9
170.10883	15.3
171.08015	3.6
171.11703	46.8
172.08873	3.9
172.12462	5.3
173.09671	15.2
173.13283	24.2
174.10347	4.8
175.11180	19.2
175.14809	4.4
179.08525	14.9
179.10710	2.8
180.09329	9.6
181.10091	24.7
181.12242	5.0
182.10938	14.6
183.08110	3.0
183.11726	36.8
184.12465	5.1
185.09586	5.3
185.13258	30.8
186.14044	3.7
187.11192	10.3
187.14796	8.4
189.12769	7.7
190.13521	6.4
191.14339	8.3
193.10201	20.6
193.12010	4.1
193.13936	2.2
194.10916	13.2
195.11681	34.3
196.12415	6.9
197.09695	2.9
197.13260	32.1
198.14078	3.8
199.11192	9.5
199.14810	17.8
201.12708	7.5
201.16397	4.6
203.14308	14.5
205.10095	7.3
206.10947	8.2
207.11671	20.2
207.13768	6.9
208.12544	7.1
208.14500	3.3
209.13306	29.5
209.15195	3.5
210.14072	5.2
211.11307	5.7
211.14841	18.1
213.12743	9.3
213.16373	7.4
215.14273	9.5
217.10219	5.1
217.15799	3.1
218.16682	4.3
219.11665	7.0
219.13707	3.5
220.12546	6.7
221.13222	19.6
221.15359	23.1
222.13995	7.1
223.11185	3.6
223.14859	20.3
225.12735	7.6
225.16335	13.7
227.14330	8.4
229.15883	3.8
231.11667	4.5
232.12451	4.6
233.13225	9.8
233.15390	24.2
234.13947	3.3
234.16075	5.6
235.14798	15.3
235.16888	3.3
237.12701	4.9
237.16502	15.6
239.14308	4.7
239.17905	3.5
241.15819	4.9
243.11578	2.3
244.12587	2.8
245.13232	7.2
246.14050	4.0
247.14728	10.9
248.15625	4.7
249.16370	10.0
251.17960	6.8
253.15881	5.3
253.19557	2.6
255.17471	35.5
259.14694	5.1
260.15491	3.2
261.16342	6.5
262.17276	2.3
263.17993	12.0
265.15744	4.0
265.19363	3.7
267.17365	2.8
268.18240	5.6
269.19003	8.2
270.19754	7.0
273.18475	9.0
275.18094	3.4
277.16095	2.4
277.19461	5.6
279.17520	4.1
281.18976	9.4
285.18701	6.2
286.19244	7.1
287.20163	3.2
289.19388	3.0
295.20459	4.0
299.20096	8.0
301.19293	4.9
303.19662	4.9
305.19037	4.3
309.22284	3.4
313.21786	3.2
325.21634	4.8
331.20627	2.5
345.22021	5.2
347.23749	5.8
349.25458	3.2
352.23932	8.5
360.24515	3.2
365.24826	13.8
383.25919	9.0
520.35449	3.8
567.38251	2.8
600.42017	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.4
55.01883	4.0
55.05514	18.1
57.07090	16.1
57.34012	2.9
59.04992	4.5
65.03922	3.8
67.05510	29.8
69.02157	2.8
69.03420	14.2
69.07080	17.6
77.03902	3.2
79.05502	29.2
81.07063	43.2
83.04971	17.1
83.08620	11.4
85.06536	6.7
89.06019	5.0
91.04996	1.6
91.05479	62.9
93.07044	87.0
95.04988	24.7
95.08603	44.3
96.36116	3.0
97.06541	12.3
103.05482	6.6
105.04533	3.3
105.06316	5.2
105.07032	97.1
107.04935	3.7
107.08596	64.2
109.06526	19.0
109.10149	26.3
111.08102	6.0
115.05450	4.9
116.06234	4.3
117.07038	24.5
119.08586	90.8
120.09341	5.1
121.06546	15.4
121.10138	51.6
123.08081	31.3
123.11710	5.4
125.06001	5.3
125.09662	8.8
128.06204	13.5
128.07140	3.3
128.56773	2.9
129.07011	23.7
129.74113	3.0
130.07817	8.2
131.08578	47.4
132.83945	2.8
133.06517	9.0
133.10146	46.0
135.08061	23.9
135.11707	10.3
137.09610	17.2
139.11212	3.1
140.72351	3.2
141.06979	14.1
142.07791	32.9
143.08569	60.3
144.09322	20.3
145.06505	7.4
145.10124	76.7
145.11282	4.1
146.10947	4.1
147.08041	34.0
147.11697	17.6
148.08812	4.6
149.09608	22.1
151.07547	21.3
151.11192	3.5
153.06972	4.6
153.09119	4.5
154.07788	5.6
155.08583	27.7
155.10583	4.6
156.09367	26.6
157.10143	89.5
158.10895	11.2
159.08060	20.4
159.11691	40.8
159.12871	3.7
161.09625	25.8
161.13268	12.9
162.10312	4.0
163.11195	21.4
165.07008	8.2
165.09102	46.3
167.08575	11.8
167.10663	20.0
168.09363	5.7
169.10136	24.6
170.10953	11.6
171.08028	6.0
171.11693	42.2
172.08881	4.1
172.12450	8.7
173.09595	15.3
173.13257	22.3
175.11197	32.1
175.14880	7.0
177.12807	3.9
178.07912	4.1
179.08534	14.5
179.10764	5.9
180.09282	7.2
180.11644	3.7
181.08768	4.2
181.10115	19.4
181.12231	13.1
182.10912	10.8
183.11719	27.4
184.12457	6.5
185.09673	5.2
185.13284	27.0
186.14095	3.7
187.11224	13.8
187.14859	7.6
188.11951	3.8
189.12738	17.2
190.13564	10.6
191.10751	8.2
191.14285	7.6
192.09370	9.7
193.10150	19.3
193.12297	9.8
194.10915	8.7
195.11716	30.2
196.12421	8.8
197.09644	4.4
197.13261	31.7
198.14099	5.1
199.11191	11.5
199.14874	11.7
201.12689	7.7
203.14349	29.2
206.10930	8.9
207.11693	18.4
207.13805	12.3
208.12462	8.6
208.14601	10.3
209.09702	3.8
209.13274	25.9
209.15219	5.7
211.11185	10.0
211.14799	16.8
213.12718	17.6
213.16356	4.8
215.14308	7.6
218.10922	3.3
218.16728	5.9
218.80377	3.1
219.11720	7.6
219.13812	6.8
220.12535	6.4
221.13248	14.1
221.15335	93.2
222.13998	4.8
223.11278	3.9
223.14833	14.7
225.12769	10.5
225.16391	7.1
227.14308	3.7
229.15929	4.5
231.11781	5.0
232.12390	4.4
233.13261	7.0
233.15401	25.1
234.14030	6.2
234.16145	16.6
235.14839	12.6
237.12720	6.4
237.14630	36.0
239.14500	3.6
239.17816	4.6
241.15697	4.8
245.13062	4.2
246.14030	4.6
247.14749	6.0
247.16942	10.5
248.14130	14.4
249.16425	9.8
251.14308	5.8
251.17998	8.1
253.15907	10.2
255.17453	29.0
259.14673	4.7
259.17020	5.9
261.16348	7.7
263.17886	6.2
265.19550	4.1
267.17331	4.6
269.19040	6.4
270.19800	9.1
271.17059	5.5
273.18655	7.6
274.19278	11.4
277.19412	5.3
279.17477	7.6
281.19113	6.6
283.14597	3.4
285.18631	5.9
286.19250	20.2
287.20053	10.2
289.19458	3.6
293.19293	3.9
294.19803	8.8
297.18597	5.2
299.20193	16.3
303.19547	44.4
312.20691	5.0
313.21893	16.4
319.20340	4.3
325.21722	16.9
337.21649	11.3
347.23737	4.9
352.23972	100.0
365.24744	21.6
377.24643	3.3
383.25946	8.2
419.29550	3.6
487.32098	6.2
502.34344	12.0
503.34915	4.5
505.33014	6.0
507.34573	12.2
520.35535	57.9
582.40387	6.6
585.39612	4.1
600.41394	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10004	3.7
53.03954	4.3
55.01870	4.9
55.05514	17.7
57.07067	13.2
59.04993	4.2
65.03954	3.3
67.05503	28.9
69.03425	12.5
69.07066	13.1
69.18916	4.2
69.19313	29.5
71.05006	3.9
79.05497	22.5
81.07063	40.9
83.04988	10.2
83.08623	13.5
85.06549	4.2
89.06050	11.4
90.32906	3.0
91.05492	34.2
93.06485	5.1
93.07048	63.9
94.07357	3.8
95.04986	16.7
95.08609	38.3
96.08955	5.5
97.06531	21.3
105.07037	65.2
107.08604	40.6
109.06527	12.7
109.10155	22.8
111.08134	5.0
113.09650	7.5
117.07030	16.0
119.08588	58.3
121.06515	9.6
121.10170	36.8
123.08090	28.5
125.06014	6.8
125.09600	6.0
128.06206	11.1
129.07019	16.7
130.07796	6.9
131.08589	35.9
132.09373	3.4
133.08603	7.8
133.10136	34.9
135.08051	16.8
135.11720	9.3
137.09622	17.4
139.11189	13.3
141.07005	8.6
142.07822	16.8
143.08572	28.6
144.09334	11.0
145.06468	21.5
145.10136	49.2
147.08037	26.2
147.11682	11.3
149.09645	10.3
151.07573	11.2
151.11148	3.3
153.09128	4.1
153.12737	5.4
155.08621	15.4
155.10672	12.1
156.09331	15.2
157.10136	48.5
158.10878	7.2
159.08084	12.3
159.11694	26.6
160.08865	64.8
160.12468	4.1
161.09641	10.3
161.13278	7.0
163.11165	15.8
165.07065	4.8
165.09146	37.2
166.09529	3.5
167.08565	7.4
169.10127	19.3
170.10863	7.9
171.11694	30.4
172.12332	4.0
173.09648	10.0
173.13286	8.1
174.10454	3.7
175.11235	18.8
177.09081	3.8
179.08542	4.8
179.14395	4.5
180.09273	5.8
180.11447	4.3
181.10210	11.6
181.12221	22.0
183.05956	3.2
183.11699	23.2
184.12234	3.3
185.09558	4.1
185.13281	12.9
187.11220	6.7
187.14923	3.8
189.12801	7.3
190.13510	7.9
191.10728	5.0
191.14218	4.7
193.10190	8.8
193.12260	11.1
194.10843	6.5
195.11681	14.0
195.13660	6.6
196.12491	4.6
197.11752	3.7
197.13248	18.4
199.11212	7.9
201.12778	6.0
203.14326	18.8
204.14630	3.3
206.11028	5.2
207.11751	8.6
207.13782	10.2
208.12535	3.8
208.14551	10.9
209.13281	14.2
209.15247	3.8
210.13885	5.4
211.14848	13.0
213.12704	4.7
219.13852	8.9
220.12463	4.0
221.13483	4.9
221.15379	100.0
222.15714	15.9
223.14821	9.6
224.15503	3.7
224.47911	4.4
225.16533	3.9
229.16039	4.1
234.14030	5.5
234.16185	23.7
235.14798	5.0
237.16402	6.4
245.15378	5.1
247.16942	17.2
248.17595	6.0
249.16240	4.1
259.16992	7.7
263.17929	3.8
265.19711	3.5
271.17017	5.8
274.19257	10.1
281.18893	4.6
283.26248	4.7
285.18698	7.3
286.19327	22.0
287.20053	10.2
289.19440	4.0
297.18594	6.7
299.20093	25.6
300.20825	13.5
311.20148	10.1
312.20776	12.8
313.21533	6.8
325.21667	15.9
337.21576	6.7
339.23276	4.9
340.23831	9.6
351.23602	3.7
352.23938	43.1
365.24750	11.1
377.24585	5.2
379.26193	8.9
391.26257	3.7
392.26776	6.3
400.26047	3.1
413.27103	3.7
415.25543	5.4
419.29462	10.3
420.30240	5.3
426.27429	7.8
427.28595	5.7
440.29279	47.5
445.89267	3.6
454.31451	4.3
508.35278	5.8
520.35492	41.9
600.41376	52.6
600.56641	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	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.9
55.05517	19.0
57.07065	11.3
59.04995	4.0
65.03941	5.2
67.05502	35.1
67.13289	2.7
69.01125	2.5
69.03436	16.2
69.07066	18.9
70.97605	4.6
70.97944	4.8
71.04988	5.7
72.41698	3.5
76.31625	3.5
79.05493	38.8
81.03417	14.7
81.07068	45.6
83.04992	20.6
83.08617	13.1
85.06561	7.0
89.06042	5.3
90.23297	2.7
91.05482	53.3
91.37116	2.9
93.07052	69.6
95.04966	26.4
95.08603	41.4
97.06525	12.9
103.05499	5.1
105.07037	89.8
107.04950	4.1
107.07888	3.6
107.08601	63.3
109.06528	19.5
109.10155	23.2
111.08061	6.5
113.09695	3.7
115.05450	6.2
116.06243	5.3
117.07019	23.4
118.07743	3.0
119.04971	4.4
119.08591	89.4
120.09390	5.4
121.06541	20.0
121.10153	46.9
123.08096	32.0
123.11728	9.2
125.05983	7.0
125.09634	11.0
125.64143	3.0
128.06230	13.6
129.06996	28.6
130.07773	9.2
131.08566	48.1
132.09258	3.2
133.06464	8.5
133.10135	52.7
135.08063	28.7
135.11674	13.1
137.09619	19.3
139.07535	4.1
139.11221	5.9
141.07010	11.2
142.07756	22.8
143.08583	59.8
144.09317	11.8
145.06534	8.8
145.10130	62.8
146.10820	2.9
147.08044	33.1
147.11696	18.3
149.09625	20.6
150.86371	2.8
151.07536	18.8
151.11211	4.6
153.06964	4.1
154.07779	3.8
155.08528	21.5
155.10603	4.8
156.09386	19.1
157.10143	75.9
158.10930	12.9
159.08113	21.2
159.11700	40.8
160.08847	28.2
161.09589	22.4
161.13248	9.5
163.11140	18.3
165.06963	9.1
165.09117	41.7
166.07762	4.0
166.09340	4.1
167.08565	9.4
167.10707	13.8
168.09317	10.5
169.10144	32.0
170.10930	12.3
171.08049	5.7
171.11700	38.2
172.12439	8.2
173.09601	12.0
173.13237	17.9
175.11186	22.7
175.14844	6.4
177.12756	5.0
177.29053	3.1
179.08571	11.5
180.09352	5.5
181.10088	19.0
181.12276	14.6
182.10860	9.0
183.11697	23.0
184.12503	8.4
185.09627	6.2
185.13283	20.8
186.14130	3.5
187.11171	10.7
187.14767	6.6
189.12752	12.4
190.13490	13.9
191.14267	6.5
192.09309	3.8
193.10150	12.0
193.12224	16.7
194.10886	8.6
195.11693	28.0
196.12494	7.0
197.09604	5.7
197.11742	3.1
197.13309	22.4
198.14011	4.2
199.11215	9.1
199.14836	8.0
200.11914	3.6
201.12755	7.2
203.14282	31.6
205.10213	5.3
205.12276	4.7
206.10866	5.0
207.11696	15.6
207.13823	17.2
208.12468	10.0
208.14531	9.7
209.09618	4.0
209.13315	21.3
210.13994	5.4
211.11238	4.8
211.14825	13.7
213.12755	9.4
213.16423	5.5
215.14320	11.0
217.12236	3.8
219.11761	7.0
219.13860	8.7
220.12531	7.7
221.13264	16.6
221.15335	92.9
223.11218	4.5
223.14830	13.6
225.12715	8.0
225.16399	10.0
227.14378	4.7
229.12271	3.9
231.11581	6.3
233.13358	6.9
233.15390	32.6
234.14037	4.2
234.16023	14.9
235.14940	6.4
235.16895	4.5
237.12714	7.3
237.14680	37.8
239.14299	5.5
239.18036	3.3
241.15858	4.2
245.13277	4.6
247.14835	3.6
247.16939	12.1
248.13940	16.1
249.16383	9.5
251.14186	3.7
251.18120	3.9
253.15833	4.2
255.17447	23.8
261.16458	8.0
263.18036	6.7
267.15781	6.1
268.17966	3.0
269.18930	4.3
270.19733	7.6
271.16907	8.9
273.18637	5.4
274.19186	8.0
277.19489	5.1
279.17218	5.2
281.18982	4.4
285.18518	8.6
286.19351	19.1
287.20013	9.9
294.19675	7.8
295.20767	3.7
297.18454	5.7
299.20209	18.2
303.19556	53.9
307.20297	4.2
309.18561	4.3
311.20132	6.1
312.20874	6.8
313.21487	14.1
319.20538	4.5
325.21848	15.5
325.61136	3.6
337.21649	7.5
337.27393	7.8
347.23587	5.2
352.23969	100.0
353.24567	3.9
365.24808	15.6
377.24722	7.0
383.25900	3.9
404.34616	3.5
502.34314	11.2
503.34888	5.7
507.34778	14.5
508.35187	4.2
520.35571	57.2
529.38678	8.2
547.39606	3.5
567.38171	4.3
582.40430	8.8
585.39355	4.0
600.41675	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01581	2.4
51.02392	3.2
53.03937	4.5
55.01875	3.6
55.05510	21.2
57.03416	2.7
57.07078	13.3
59.04991	5.0
65.03931	5.6
65.41030	2.3
66.59018	2.1
67.05179	3.2
67.05506	38.7
69.03439	13.6
69.07069	27.5
69.26453	3.4
69.26862	15.2
71.04994	5.8
71.08627	5.6
79.05499	39.5
81.03392	2.4
81.07064	50.1
83.04639	1.8
83.04998	19.0
83.08617	19.0
85.06536	9.7
85.10165	3.5
87.04457	7.2
89.06034	42.9
91.05485	58.0
93.06487	4.5
93.07047	69.3
95.04971	24.5
95.08057	3.8
95.08611	41.4
97.06537	17.3
97.10175	4.1
103.05472	3.9
105.04514	3.9
105.07036	100.0
106.07874	2.8
107.04956	7.3
107.08595	66.7
109.06508	15.5
109.10162	42.4
111.08073	9.1
113.09677	3.6
115.05449	9.1
116.06197	4.0
117.07034	24.2
119.04874	2.6
119.08588	83.5
120.09374	3.6
121.06519	14.9
121.10152	56.8
123.08073	29.7
123.11718	6.7
125.06027	3.2
125.09646	15.1
128.06242	16.3
129.07014	26.5
130.07808	10.6
131.08574	49.7
132.09329	4.5
133.06441	7.0
133.07632	3.3
133.08629	22.4
133.10136	54.1
135.08086	20.0
135.11693	19.0
137.09631	14.2
139.11183	5.5
141.06989	14.0
142.07797	38.1
143.08562	56.3
144.09358	13.7
145.06512	5.1
145.10132	76.7
146.10893	5.2
147.08072	13.6
147.11679	24.9
148.08841	3.3
149.09641	17.7
149.13263	6.8
151.07507	7.8
151.11147	3.8
153.06969	6.6
155.08586	19.3
155.10670	9.3
156.09357	25.3
157.10130	78.2
157.99284	2.3
158.10881	10.0
159.08063	24.3
159.11705	46.7
160.08789	8.1
161.09619	18.0
161.13255	9.4
163.07449	2.3
163.11209	9.9
165.06949	9.4
165.09128	10.0
166.07751	5.0
167.08597	13.6
167.10709	15.9
168.09320	10.2
169.10115	36.8
170.10887	15.5
171.08078	4.7
171.11700	47.3
172.08823	3.4
172.12523	5.0
173.09601	12.3
173.13272	28.6
174.10353	3.2
175.11188	16.9
175.14763	7.4
177.09117	2.4
177.11212	10.9
177.12714	4.9
178.07785	3.8
179.08528	16.4
179.14339	3.2
180.09334	8.8
180.11424	2.0
181.10104	26.2
181.12206	6.4
182.11015	12.8
183.11714	33.0
184.12439	7.6
185.09641	9.1
185.13264	30.7
186.14084	4.9
187.11208	12.2
187.14827	10.2
189.12788	12.9
190.13492	4.9
191.08582	3.2
191.14262	6.1
191.15903	2.3
192.09273	5.3
192.15001	2.1
193.10129	17.5
193.11983	4.7
194.10933	10.8
195.08000	3.1
195.11713	36.0
196.12473	11.3
197.09615	5.3
197.13275	35.0
197.40479	2.5
199.11195	8.8
199.14836	19.8
200.11888	2.2
201.12775	7.3
201.16391	6.5
203.14343	13.8
205.10184	2.5
206.10840	7.1
207.11728	22.0
207.13614	4.8
208.12440	9.1
208.14426	3.0
209.13280	31.1
209.15169	3.6
210.14009	6.3
211.11238	6.6
211.14862	24.3
211.63237	2.3
212.11949	2.5
212.15376	4.6
213.12881	11.8
213.16396	5.9
215.14288	14.2
217.10207	4.2
217.12192	2.5
217.15823	4.8
218.10988	3.2
218.16640	4.6
219.11671	7.2
220.12492	6.3
221.13287	20.0
221.15395	23.7
222.13950	5.9
223.11288	5.1
223.14851	20.0
224.15553	3.8
225.12747	9.3
225.16371	10.7
227.14305	10.6
227.17905	5.1
229.10040	2.6
229.15933	5.5
231.11649	7.0
231.13756	3.1
232.12465	4.2
233.13173	9.7
233.15379	24.2
234.13943	5.4
234.16122	9.0
235.14871	9.1
236.15536	3.9
237.12720	3.2
237.16475	18.0
239.14319	8.1
239.17969	5.3
241.15804	5.1
243.17418	2.9
244.12552	2.3
245.13222	4.9
246.13992	3.6
246.16255	3.7
247.14812	8.9
247.17059	2.4
247.24142	6.4
248.15683	5.8
249.16376	8.7
251.14363	3.1
251.17981	8.9
253.15894	6.8
253.19519	2.4
255.17462	38.3
256.12393	2.4
259.14780	5.2
261.16391	8.2
263.17932	8.0
265.16113	4.6
265.19586	6.8
265.25272	12.3
267.17349	4.9
268.18201	4.0
269.18951	8.5
270.19763	7.8
271.14600	4.3
271.17194	3.1
273.18512	9.7
275.17963	4.3
277.19553	3.9
279.17282	2.4
281.19064	10.3
283.20615	4.2
285.18607	6.1
286.19257	4.4
287.20255	5.0
289.19376	3.9
291.17459	3.1
293.18890	3.3
295.20459	5.7
297.18707	4.9
299.20044	9.2
307.20514	2.9
311.20050	3.6
315.20923	2.9
317.22498	3.5
327.20947	3.2
329.22656	2.9
331.20541	3.7
333.22095	3.5
335.23712	3.2
339.28998	6.9
345.22015	2.8
347.23563	6.5
352.24030	3.6
357.29855	3.8
365.24808	9.4
383.25806	11.5
415.25421	9.2
434.80588	3.3
505.49411	2.2
508.35089	4.0
531.35217	2.6
567.38184	2.7
582.40961	2.9
600.41620	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	601.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55120	1.8
58.18861	1.8
69.03426	4.1
71.51564	2.4
75.56533	1.8
82.99857	2.7
83.60542	1.9
85.02912	10.1
90.49354	2.0
97.02885	4.8
101.00897	15.2
113.00870	3.2
115.02424	4.8
119.01925	18.8
127.02417	5.6
127.03883	4.2
131.01889	8.9
133.03476	13.2
139.02367	3.1
143.01900	26.6
145.01611	3.5
145.03415	12.3
145.05035	3.3
149.02933	4.7
152.05698	3.6
155.01881	21.4
156.22789	1.9
157.03477	6.4
159.05124	2.0
161.02960	18.9
163.02713	4.1
167.01871	10.9
169.03464	5.8
171.01428	18.7
171.05042	3.3
173.02997	26.5
175.00995	2.4
175.04529	4.3
179.01903	6.0
185.02965	46.6
187.02789	3.2
187.04459	4.1
189.02466	26.1
191.04010	3.8
197.02980	17.1
199.00868	6.9
201.02402	5.4
203.04013	14.2
215.04034	14.2
217.01871	8.0
221.05028	4.5
227.04085	13.8
227.51804	2.0
229.01920	3.2
231.03499	22.3
243.01221	2.2
243.03537	5.7
245.05084	100.0
247.04848	4.9
249.04608	8.2
255.03542	2.8
257.05057	6.4
258.62637	2.1
259.00433	2.8
259.02887	14.3
261.04578	3.4
263.06104	13.3
271.03012	2.9
273.04605	7.0
275.06064	13.8
277.04031	7.1
289.03983	5.8
291.05560	7.2
293.07037	2.7
303.05637	6.7
305.07355	9.5
319.05112	9.2
319.11002	2.1
333.06732	9.2
340.03278	2.4
347.08432	2.1
348.53583	2.9
349.03314	2.6
351.07709	6.3
361.06061	11.9
365.09326	21.5
379.07294	9.6
393.08829	3.4
421.77405	2.1
471.10886	2.4
513.12970	13.6
541.12573	20.3
588.49896	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	601.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30080	0.4
52.50093	0.4
55.05502	0.6
67.05513	2.4
69.07060	0.7
70.77916	0.4
70.78739	0.8
70.79097	0.9
79.05482	1.7
81.03416	0.5
81.07069	2.4
91.05467	1.3
93.07055	2.0
95.04916	0.6
95.08598	1.1
97.06494	0.5
105.07009	1.2
107.08578	1.7
108.34752	0.4
109.06553	0.4
109.10134	1.1
115.02400	0.4
115.03693	4.7
116.53537	0.3
117.08986	0.4
119.01960	0.5
119.08566	1.7
121.10142	1.6
123.08063	0.6
123.11660	0.5
131.01880	1.2
131.08554	1.0
131.47646	0.4
133.03484	3.3
133.10097	1.5
144.09106	0.4
145.03471	1.1
145.10117	1.2
147.11755	0.5
149.02095	1.5
149.09570	0.6
151.04605	0.7
157.03470	1.1
157.10167	0.9
159.11713	0.9
161.03027	1.0
161.09622	0.5
163.11165	0.5
167.01863	0.8
167.10677	0.6
169.03519	0.4
169.10135	0.4
171.05106	0.9
175.04507	0.7
182.98119	0.6
183.05005	0.5
185.02989	1.4
187.04541	0.9
187.14888	0.7
189.06131	0.4
201.06110	2.2
212.98499	0.5
213.06155	0.6
215.14088	0.5
217.05527	0.7
221.13147	0.5
230.99579	2.9
239.00723	1.4
241.05708	0.6
249.00369	2.0
267.00320	0.8
281.01746	1.4
301.20102	11.8
302.20673	0.5
305.01724	1.4
319.21188	1.5
320.02167	0.5
323.03162	0.4
341.05124	11.6
342.22852	1.3
357.24094	0.8
375.25073	100.0
376.25381	0.7
417.26105	1.0
482.69464	0.4
503.29892	1.7
541.23071	3.0
565.23474	0.6
583.25531	5.5
583.40070	0.5
601.25690	17.4
601.40912	0.8
602.25641	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
53.59962	1.4
55.05511	8.6
56.15585	1.6
57.07084	9.2
59.04986	3.1
65.03968	1.6
67.05508	16.2
69.03436	5.8
69.07059	8.2
69.14954	7.6
69.15388	6.9
71.04993	1.7
79.05496	14.5
81.03400	2.4
81.07063	21.1
82.07346	1.8
83.04974	4.4
83.08624	6.4
85.06520	4.7
89.06017	1.7
91.05492	20.7
92.05784	2.4
93.07049	34.9
95.04975	5.2
95.08615	23.3
97.06537	3.4
97.10165	2.2
98.21650	3.4
101.53921	1.4
103.05455	2.8
105.06402	2.6
105.07043	35.2
106.07334	2.5
107.04935	1.8
107.08601	21.5
108.08878	1.8
109.06532	7.9
109.10159	11.1
111.08068	2.6
115.05455	2.5
117.07029	9.6
118.62426	1.5
119.08585	38.1
120.08914	2.2
121.06504	5.4
121.10149	18.3
123.08070	17.9
123.11684	2.4
125.05988	3.2
125.09669	2.2
128.06219	2.5
129.07054	8.5
130.07809	3.1
131.08585	15.3
132.08856	1.8
133.08624	1.6
133.10144	21.4
134.10403	1.8
135.08044	14.4
135.11682	6.0
137.09613	13.0
139.11177	1.6
141.06953	3.2
142.07759	5.5
143.08597	14.8
144.09297	5.7
145.06485	2.8
145.10132	28.8
146.10498	3.3
147.08054	21.3
147.11676	6.6
148.08438	2.4
149.09596	5.2
149.13229	1.7
151.07576	9.2
153.09189	1.5
155.08559	5.9
155.10623	1.8
156.09335	5.6
157.10150	21.0
158.10608	3.0
159.08070	4.7
159.11717	19.7
160.08777	3.2
161.09625	3.8
161.13234	4.9
163.11188	7.6
165.07011	1.9
165.09123	45.4
167.08594	4.1
167.10779	1.8
168.09277	2.8
169.10138	9.8
170.10852	3.6
171.11699	11.8
172.12209	2.9
173.09666	2.8
173.13278	7.7
175.11197	4.2
175.14845	3.7
179.08543	2.6
180.09244	1.7
181.10156	3.4
181.12260	7.4
182.10864	3.7
183.11766	10.9
184.12234	2.0
185.09566	2.6
185.13252	8.9
187.11156	2.4
187.14859	3.5
189.12737	3.4
190.13443	2.0
191.14207	2.0
193.10109	3.4
193.12163	2.2
195.11630	4.8
195.13600	1.6
196.12379	2.3
197.13246	6.5
198.10104	1.8
199.14833	3.6
201.12732	3.5
203.14313	16.8
204.14673	1.9
207.11653	4.0
207.13832	4.3
208.12445	2.4
209.13191	5.8
209.15128	2.7
210.13689	3.2
211.14755	2.3
213.12473	2.1
213.16481	1.8
214.16740	1.7
220.12273	1.7
221.13379	5.6
221.15369	100.0
222.15723	4.1
223.14804	4.3
225.12871	2.1
225.16391	1.5
234.15979	2.8
235.14732	3.7
236.15433	1.7
237.16354	1.5
239.17783	1.5
247.17035	3.8
248.17435	1.9
249.16481	2.4
287.20001	4.0
288.20551	1.5
291.19360	1.6
297.18591	1.9
299.20215	2.8
305.17758	1.6
311.55368	1.7
314.21530	1.5
326.22192	2.6
332.31134	1.5
334.21008	1.5
337.21426	1.9
340.16913	1.5
352.23920	8.4
353.24231	8.8
365.24567	2.2
378.25372	1.6
420.30042	1.6
441.29575	1.6
455.31406	2.6
472.33490	1.6
491.35153	6.9
508.34967	1.6
509.35971	2.9
520.35773	2.8
521.35913	19.5
583.41180	10.0
601.34100	2.3
601.42609	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	602.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	5.1
58.06603	3.1
65.03954	1.2
67.05503	1.1
70.06596	16.8
71.08627	3.2
71.53454	0.9
81.07050	1.4
88.07098	1.0
88.07634	19.5
91.05497	0.8
95.08611	0.8
97.06572	0.8
102.09186	13.9
102.09808	1.0
149.02347	29.6
158.54410	0.6
175.03963	1.5
193.04976	38.5
200.20107	45.0
208.35455	0.7
209.13460	0.6
219.06686	1.0
225.05478	0.7
237.07590	10.7
244.22765	1.1
269.04504	1.0
297.04016	1.1
313.07144	2.0
319.22641	1.0
341.06601	8.8
343.08273	0.7
355.44250	0.6
359.07648	6.4
385.09167	18.7
429.11871	25.3
516.32233	0.6
584.28687	1.9
602.29590	100.0
603.29980	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	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96354	0.5
53.61858	0.5
54.44797	0.5
55.05502	0.7
61.02945	0.7
67.05495	1.9
69.03431	3.3
69.07059	1.5
70.06587	0.9
71.05000	0.6
71.52525	0.7
79.05502	1.9
81.03439	2.7
81.03844	0.6
81.07079	3.3
83.08628	0.7
85.02911	6.5
86.09704	0.9
87.00819	2.8
91.05495	1.5
93.07034	3.1
95.04950	0.6
95.08609	4.6
97.02899	1.7
97.06524	1.6
99.04462	1.2
105.01849	2.6
105.07047	1.4
107.08592	4.7
109.02878	1.9
109.10143	1.8
111.08078	0.7
119.08565	2.8
121.10157	4.0
123.08057	1.0
125.09573	0.5
127.03926	3.6
129.10287	0.5
131.08559	2.1
133.10121	1.7
135.08046	0.7
135.11662	1.2
137.09654	1.5
139.11136	0.9
141.09073	0.6
143.08543	1.1
145.04994	0.9
145.10133	1.9
146.42795	0.6
147.08020	0.7
147.11699	1.5
155.08469	0.8
157.10159	2.0
159.11703	5.2
161.09656	2.0
161.13287	2.5
163.03889	0.9
163.11089	0.7
165.09100	0.6
169.10120	0.6
171.11650	1.5
173.13235	2.7
175.11186	2.1
175.14815	0.8
177.12767	1.5
181.10054	0.6
183.11720	1.5
184.12305	0.6
185.03897	0.5
185.09590	0.8
185.13249	1.4
187.11324	0.9
187.14830	0.9
189.12744	2.1
193.12224	0.6
195.11740	1.1
197.13219	1.0
199.14854	2.1
201.12758	1.4
203.14354	1.5
209.13283	2.0
211.14882	0.8
213.12788	1.5
213.16440	1.8
215.14343	0.6
217.15965	0.7
219.13828	1.1
223.14883	1.6
225.16373	3.1
227.14418	2.7
227.17969	0.8
237.16354	0.7
239.18034	1.2
241.15852	1.5
241.19640	1.2
243.17522	1.1
245.15340	1.6
253.19511	1.2
255.21129	1.0
257.19019	1.6
265.19501	2.5
271.20602	3.5
283.20584	7.8
289.21649	5.7
301.21628	13.5
319.19669	0.5
319.22675	17.9
337.23740	100.0
338.24002	0.9
380.23114	0.5
505.27948	4.3
523.28925	1.5
531.25171	0.7
549.26923	4.1
567.28058	2.2
602.38446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
54.87818	0.8
55.01846	0.9
55.05508	1.5
55.23639	0.7
57.63859	0.8
67.05495	1.0
69.03419	2.8
69.43674	6.1
70.06598	1.0
71.39410	0.9
79.05486	1.6
81.03417	3.0
81.07062	4.9
83.04987	0.9
83.08649	0.9
85.02906	8.4
86.09696	1.0
87.00838	2.3
91.05492	1.2
93.07046	3.1
95.04986	0.9
95.08581	4.4
97.02918	2.3
99.04499	1.1
105.01866	3.5
105.07044	2.8
107.08604	4.3
109.02876	2.5
109.10156	2.1
117.01861	0.8
119.08580	3.5
120.08131	0.9
121.10162	4.3
123.08083	0.9
127.03921	4.8
131.08598	1.8
133.06454	0.9
133.10161	2.3
135.08109	0.9
135.11679	0.9
143.08540	1.4
145.04933	2.1
145.10132	1.7
147.11681	1.3
149.09642	1.5
157.06570	1.1
157.10136	2.3
159.08086	1.3
159.11693	3.1
161.05981	1.0
161.09587	2.7
161.13271	2.2
169.10056	1.2
171.11739	1.9
173.13260	1.7
175.11273	2.1
177.12756	0.9
183.11674	1.4
185.13287	1.4
189.12651	1.1
191.14310	1.0
192.07883	0.9
193.08652	1.6
193.12286	1.7
197.13150	1.0
199.14844	1.6
201.12733	1.5
203.14291	1.0
209.13199	1.1
211.14810	1.2
213.12733	1.3
213.16296	1.3
215.14272	1.1
219.06647	1.0
219.13832	2.8
223.15047	0.9
225.16409	2.1
227.14294	1.6
239.17946	1.2
241.15894	1.3
243.17424	1.3
245.15352	1.7
253.19450	1.0
255.21130	1.0
257.19006	0.9
259.16861	0.9
265.19565	1.4
271.20447	2.3
273.21869	1.0
273.61972	0.8
275.20166	1.0
283.20517	5.1
289.21667	5.3
301.21579	10.0
302.79874	0.9
319.22681	18.2
329.18973	0.8
337.23737	100.0
338.24008	1.1
443.01508	0.8
505.27762	2.1
549.26538	2.6
567.27985	1.1
585.29169	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01871	1.5
55.05510	4.5
67.05503	2.4
69.03428	4.0
69.07050	1.8
69.58681	8.5
70.06597	3.9
79.05499	2.6
81.03419	4.7
81.07056	5.3
83.04973	2.2
83.08646	2.7
85.02930	6.1
85.28970	1.1
86.09740	2.9
87.00823	2.7
89.61767	1.3
91.05486	3.4
93.07052	4.5
95.04967	1.4
95.08626	5.2
97.02893	2.6
97.06557	1.9
99.04459	1.4
100.07603	1.5
100.11263	7.7
101.11584	3.3
105.07023	4.0
107.08607	4.9
109.02898	3.8
109.06481	1.4
109.10181	4.4
110.07229	1.2
111.04453	2.2
119.08616	4.7
121.06570	1.4
121.10139	6.0
123.08070	1.2
123.11700	1.9
127.03944	5.2
128.07080	1.8
133.10175	2.4
137.09631	1.8
140.07062	1.3
143.08655	1.8
145.10167	2.7
147.08063	2.3
149.09709	1.7
157.10179	1.8
159.11700	3.0
161.09648	2.9
163.03938	1.3
163.11169	3.2
171.11687	1.5
173.13368	1.7
175.11226	2.6
175.78688	1.2
177.12784	2.2
182.15417	4.6
183.15814	5.9
184.15987	2.5
185.13252	1.9
189.12769	1.9
201.12788	1.7
203.14452	1.7
210.14949	5.2
211.15266	8.3
212.15506	4.3
227.14340	1.2
241.19382	1.6
243.17592	2.4
257.19046	3.7
259.20541	3.2
263.05624	1.3
265.19470	2.0
271.20593	2.8
283.20483	6.7
289.21509	3.7
301.21713	14.6
319.22717	13.7
337.23764	100.0
505.28152	1.4
584.40094	6.6
602.41064	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	603.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.5
55.01863	7.1
55.05508	17.9
57.03434	6.5
57.07070	3.3
61.02927	3.7
67.05512	13.9
67.22146	2.4
68.99787	2.9
69.03434	23.8
69.07075	20.8
69.17163	16.6
69.17589	6.6
71.01351	2.1
71.04984	7.8
73.02930	3.8
75.04475	5.3
79.05492	16.6
81.03417	26.5
81.07063	39.3
83.04971	14.0
83.08617	7.7
85.02434	3.7
85.02906	49.5
85.06540	5.9
86.09695	3.0
87.00848	21.6
87.04465	5.9
91.05483	17.4
93.07054	35.1
95.04972	13.3
95.08607	46.6
97.02895	28.3
97.06543	14.8
97.10165	12.3
98.20768	3.8
99.04453	13.2
99.08102	5.5
99.59472	2.1
105.01851	14.8
105.06403	3.5
105.07041	48.2
107.04970	4.9
107.08605	43.4
109.02884	23.1
109.06520	13.3
109.10155	26.2
111.04425	2.8
111.08061	7.1
111.11701	3.5
113.06003	3.9
115.07538	6.9
117.01812	2.5
117.03322	2.5
117.07048	5.4
119.08578	53.6
121.02865	8.2
121.06483	7.0
121.10143	34.1
123.04370	2.2
123.08028	5.2
123.11700	9.3
125.06019	3.8
125.09644	3.2
127.03915	32.3
129.06990	5.3
131.08580	27.9
133.10115	29.2
135.08066	16.4
135.11670	14.4
137.09583	8.7
139.07315	2.1
139.11163	7.0
141.09052	3.0
142.07796	3.6
143.07025	4.8
143.08559	10.6
145.02835	9.0
145.04942	11.9
145.10130	48.3
147.04425	4.4
147.08031	3.1
147.11688	24.8
149.06012	2.9
149.09558	5.4
149.13257	7.9
151.11165	8.3
153.01816	10.2
155.08530	6.1
156.09364	4.8
157.08594	32.5
157.10104	20.6
157.12225	4.0
158.10802	3.6
159.02855	11.1
159.08089	2.9
159.10336	4.2
159.11685	33.2
161.06030	2.3
161.09541	5.4
161.13277	21.6
163.03899	3.6
163.07466	2.5
163.11174	6.6
163.14824	7.7
164.03467	2.6
165.09172	2.7
165.12740	3.0
167.10635	3.0
169.08748	2.3
169.10135	8.2
169.25160	2.4
171.08055	3.1
171.10344	2.4
171.11664	14.3
173.05997	3.8
173.09633	3.1
173.13255	29.2
175.11133	6.7
175.14888	12.7
177.05467	15.0
177.12706	5.0
177.16344	5.3
181.10127	3.4
183.10162	7.3
183.11702	10.3
185.13232	12.9
187.11226	5.3
187.14804	33.3
189.05386	3.2
189.12788	6.3
189.16360	14.6
191.10579	2.4
193.12206	7.4
193.15862	4.3
195.11778	3.3
197.13228	7.3
199.14832	14.8
201.12750	8.5
201.16394	21.4
203.17957	14.1
205.12335	3.9
205.15990	15.8
207.13847	2.9
209.13222	5.7
211.14763	7.8
213.03975	2.9
213.12834	2.8
213.16405	20.0
215.17967	12.9
217.15932	2.8
219.13800	7.8
221.15150	2.7
223.14877	4.6
225.14565	3.3
225.16559	4.1
227.17868	7.7
229.12181	8.0
229.19618	2.4
231.04971	7.7
241.19563	7.9
243.21152	5.7
247.13261	3.9
253.19466	12.6
255.21059	7.3
257.18869	4.7
265.19495	7.5
271.20581	28.4
273.22095	2.9
275.20166	7.1
283.20587	23.3
289.21622	22.5
301.14355	7.3
301.21655	35.7
307.22675	49.7
317.21106	3.0
319.22690	100.0
319.26480	5.5
321.20755	2.7
325.24097	2.7
337.23730	38.6
355.24780	33.1
374.24207	2.6
381.09625	3.5
399.10611	8.1
427.24875	4.5
513.24982	3.9
531.25580	6.4
549.26685	3.3
566.01086	2.6
567.28528	4.5
585.30176	6.8
603.33667	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.05499	1.7
57.03435	1.0
69.07064	2.0
71.53406	0.6
71.53846	1.1
75.71569	0.7
79.05502	3.0
81.07068	4.6
83.08617	1.7
91.05499	2.4
93.07050	4.0
95.04948	1.1
95.08599	4.0
97.10153	0.7
105.07050	1.9
107.04958	0.8
107.08595	2.2
109.06547	0.7
109.10185	2.4
117.06941	0.7
119.08612	2.1
120.08894	1.0
121.10173	1.6
131.08592	1.6
133.10098	1.7
135.11708	0.7
137.09618	0.8
145.10152	1.5
147.11662	0.7
149.09775	0.7
157.10098	1.4
159.11716	1.0
190.79840	0.7
251.12561	3.3
269.13626	6.8
275.20093	1.2
285.28638	0.6
286.79590	0.8
293.21198	1.3
301.77948	0.8
325.16211	2.0
335.25824	1.9
400.03522	0.8
585.37457	3.2
603.38660	100.0
604.38843	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3872
Annotation	25-Anhydrocimigenol-3-O-beta-xyloside
Peak:m/z	Relative Intensity
53.03951	0.4
53.40595	0.3
55.01880	0.5
55.05512	1.6
57.03434	0.6
64.28165	0.3
69.07070	1.7
71.04991	0.6
71.53550	0.3
79.05489	2.2
81.03414	0.4
81.07058	3.6
82.07366	0.4
83.08614	1.3
91.05486	2.0
92.05840	0.4
93.07052	3.1
95.04962	1.5
95.08616	2.5
96.08910	0.3
97.06527	0.7
105.07029	2.1
106.07359	0.4
106.79575	0.3
107.04936	0.5
107.08604	1.7
108.08905	0.3
109.06544	1.2
109.10157	1.1
117.07082	0.6
119.08567	1.7
119.80430	0.3
120.08870	0.4
121.06525	0.3
121.10156	1.9
122.10510	0.4
123.08079	0.6
123.11713	0.3
129.07033	0.4
131.08568	1.5
133.10164	1.4
134.10487	0.7
135.08066	0.5
135.11652	0.7
139.11154	0.4
142.07735	0.4
143.08553	0.7
145.10152	1.7
146.10429	0.4
147.11685	0.8
149.09624	0.6
156.09335	0.3
157.10109	1.1
159.11711	0.7
160.08876	0.3
169.10098	0.4
171.11703	0.7
173.13284	0.4
175.14926	0.4
183.11728	0.4
197.13289	0.3
199.14825	0.4
209.13312	0.4
222.15799	0.4
225.14835	0.7
251.12643	2.1
269.13620	5.8
275.20023	0.4
277.21225	0.3
292.19894	0.5
293.20935	1.1
300.54800	0.4
307.15234	1.2
325.16238	2.9
335.25723	0.8
541.34448	0.3
567.41980	0.5
567.91290	0.3
585.37500	3.7
603.38672	100.0
604.39087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
54.27019	4.4
54.37905	3.8
55.01862	5.7
55.05511	33.6
57.03421	9.3
63.13923	4.9
65.42971	4.0
67.05508	47.7
69.07070	42.9
69.19085	7.2
69.19481	39.9
70.16445	4.4
71.04995	6.6
79.05492	45.3
81.06642	6.0
81.07058	52.5
83.04986	8.6
83.08611	13.4
85.06515	6.2
91.05482	41.8
93.07049	69.8
95.04961	12.5
95.08614	41.2
97.06534	18.2
97.10160	12.9
105.07034	50.6
107.04984	7.1
107.08600	36.7
109.06497	10.7
109.10137	20.5
117.07008	12.9
119.08588	41.0
121.06438	5.6
121.10163	22.2
123.08055	6.5
123.11706	7.0
125.09626	9.0
129.06996	15.6
131.08565	26.0
133.10127	32.2
135.08060	6.1
135.11679	8.2
137.09607	5.5
139.11130	12.6
143.08551	9.9
145.10110	22.0
147.11644	22.2
149.09599	13.9
155.08485	6.3
157.10129	15.5
159.11736	26.6
161.09595	6.8
161.13217	12.7
163.11139	8.6
169.10101	9.1
171.11688	12.7
173.13269	8.5
183.11833	9.8
185.13225	16.7
191.96530	5.3
197.13245	6.5
203.12753	11.3
219.17432	6.3
221.15417	24.6
239.17839	6.6
257.19043	12.1
275.17303	8.0
275.20084	100.0
286.50604	5.5
293.21167	42.4
333.02869	5.3
385.27521	6.0
431.18872	20.4
585.41052	8.9
603.49768	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	604.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16905	2.4
52.21534	2.1
53.03948	5.0
53.69994	2.0
54.60146	2.2
55.01860	4.2
55.05503	5.3
58.08363	1.9
64.05564	2.1
65.03959	2.1
67.05516	12.6
69.03436	16.3
69.07084	16.3
70.06584	3.4
71.04996	7.7
71.52134	3.7
72.08159	3.7
79.05499	18.1
81.03423	27.5
81.06592	2.9
81.07066	34.9
83.04992	15.8
83.08601	4.7
85.02922	20.9
85.06541	7.1
86.09698	2.7
91.05465	13.4
93.07047	42.9
95.04988	16.5
95.08611	24.1
97.02893	14.9
97.06550	31.2
99.04475	19.5
101.05986	2.8
103.03925	9.1
105.07042	29.8
107.04951	7.6
107.08605	33.3
109.02904	32.5
109.06535	27.1
109.10139	5.4
111.08096	19.7
113.06009	3.3
119.08569	15.6
121.06509	45.6
121.10157	17.1
123.04418	4.7
123.08065	8.3
123.11722	8.5
125.06023	18.6
127.03924	41.5
127.07561	7.3
131.08574	5.0
133.06488	3.3
133.10150	16.8
135.04448	4.3
135.08066	10.2
135.11725	4.2
135.77016	2.4
137.06006	5.5
139.07552	14.8
143.07037	11.8
143.08562	5.7
145.04965	8.2
145.10120	12.8
147.08047	3.6
147.11711	37.2
149.09648	3.5
149.13274	4.2
151.07585	3.3
151.11238	4.8
156.09354	2.5
157.08612	7.3
157.10149	10.4
159.11751	2.5
161.06064	3.6
161.13286	6.6
163.11200	21.1
165.12708	13.9
167.07068	3.2
167.10725	5.8
169.08615	15.4
169.12296	16.5
171.11752	12.1
173.09625	2.7
175.11176	22.3
178.76218	2.2
181.10085	5.3
181.12334	3.5
184.62762	2.5
187.06053	5.6
189.12758	18.3
191.10580	10.8
191.14211	2.4
193.12263	20.2
198.88640	2.3
199.11211	17.5
201.00835	2.9
205.07001	4.7
207.13803	9.8
209.11679	13.4
211.13339	23.8
217.12233	52.4
218.06226	2.3
227.12807	26.6
229.14212	10.7
235.13303	66.9
237.11229	4.0
240.81918	2.6
243.03008	2.5
253.14362	100.0
263.12872	3.8
269.13770	4.8
271.15417	19.8
281.13846	7.8
285.22253	2.4
289.16620	6.7
305.13870	7.2
313.16110	2.4
343.15576	4.6
347.14911	4.9
353.15942	9.0
361.16559	4.7
371.14566	2.1
371.17398	3.3
379.17239	12.8
389.16046	3.7
397.18576	21.6
415.19662	7.9
419.64688	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	604.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01871	2.6
55.05516	3.6
57.03442	1.7
67.05511	9.0
69.03438	9.5
69.07054	7.2
70.18414	5.3
70.34493	1.4
71.04993	6.3
79.05497	9.5
81.03419	14.8
81.07061	27.1
83.04987	17.2
83.08596	2.8
83.75549	1.3
85.02921	10.7
85.06541	4.5
91.05491	10.3
93.07051	26.8
95.04979	12.5
95.08067	2.2
95.08619	24.5
95.97930	1.4
97.02908	7.6
97.06534	20.9
99.04464	13.3
100.55624	1.5
101.06036	1.9
103.03947	2.5
103.06071	1.4
105.07036	18.9
107.04944	3.8
107.08610	14.1
109.02903	19.1
109.06517	17.7
109.10146	4.6
111.04431	2.7
111.08089	13.6
113.06030	2.3
117.07006	2.6
119.08595	12.4
120.50880	1.4
121.06527	40.9
121.10152	4.3
123.04412	3.6
123.08125	3.2
123.11697	6.5
125.06000	15.4
127.03929	24.1
127.07566	5.7
129.07018	2.3
131.08591	3.5
133.06520	3.1
133.10136	12.4
135.04439	3.2
135.08095	8.1
137.05965	7.1
139.07570	14.1
141.05400	2.0
142.07770	3.0
143.07036	13.3
143.08557	5.5
145.04945	3.7
145.10129	6.8
147.08049	2.3
147.11697	32.0
151.07611	2.1
151.11186	3.8
153.09076	2.2
155.08502	1.8
157.08624	5.8
157.10153	9.0
159.06560	5.5
159.07988	2.4
161.06030	2.1
161.09650	2.3
161.13206	7.9
163.11232	1.5
163.14807	2.1
165.12746	14.1
169.12274	12.6
171.08272	1.5
171.10323	1.7
171.11612	8.6
173.08026	1.4
173.09648	3.2
175.11215	23.7
181.10074	2.7
187.06038	6.8
189.12761	18.6
193.12268	25.8
199.11208	18.7
205.07040	2.6
207.13824	9.1
211.13292	18.8
217.12248	50.4
229.14311	12.6
233.08163	1.5
235.13297	59.9
237.11136	2.2
251.12843	2.3
253.14372	100.0
271.15436	18.8
289.16425	10.5
295.15527	2.1
305.13971	2.3
308.32556	2.0
313.16544	3.8
315.15765	2.3
331.17532	1.7
343.15503	3.5
347.14774	2.2
361.16452	6.2
379.17560	15.5
397.18607	28.9
415.19583	10.8
433.20404	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	604.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
55.01876	3.6
55.05511	6.0
57.03429	4.7
61.02932	1.3
63.85871	1.0
67.05506	4.0
68.99789	2.1
69.03429	12.4
69.07066	7.8
70.47308	3.6
71.04993	5.1
73.02911	4.6
75.04470	2.2
79.05493	3.3
81.03424	14.7
81.07066	9.2
83.04976	4.5
83.08624	3.8
85.02911	40.2
85.06506	1.4
87.00842	15.9
87.04476	3.1
91.03989	1.7
91.05475	4.1
93.07043	10.4
95.04951	2.9
95.08614	16.3
97.02904	17.7
97.06539	8.2
97.10165	1.8
99.04449	8.9
99.08092	2.3
105.01869	14.7
105.07051	7.1
107.08613	12.1
109.02892	14.9
109.06530	1.5
109.10172	13.2
111.08089	2.0
113.09653	1.4
115.07567	6.3
117.01877	1.8
117.07010	1.3
119.08588	18.8
121.09339	1.8
121.10149	16.7
123.08056	3.1
123.11720	4.4
125.09569	1.2
127.03925	27.0
129.01878	2.5
129.06979	1.5
131.08580	4.3
133.10136	11.2
135.11693	6.9
137.09619	2.6
141.09105	4.6
143.08586	2.3
145.04965	11.0
145.10147	8.1
147.02896	1.2
147.11696	9.7
149.13243	5.5
157.08612	13.4
157.10135	3.0
159.02913	9.6
159.10190	7.0
159.11716	10.9
161.13266	8.8
163.11195	1.7
163.14821	16.3
169.08690	1.2
169.10110	2.4
171.11681	4.5
173.13242	3.6
175.11206	1.2
175.14835	4.4
177.16426	2.5
183.10197	2.3
183.11688	1.7
185.13293	2.9
187.14795	6.4
189.12785	2.9
189.16414	5.7
191.17920	1.6
193.12308	1.8
197.13228	1.9
199.14882	1.3
201.12697	1.2
201.16380	11.0
203.14357	1.7
203.17981	4.1
211.14923	1.8
213.03990	2.0
213.16394	1.2
215.14270	3.1
215.17937	5.2
217.19501	13.5
225.14687	1.6
225.16628	1.3
227.17979	9.4
231.05028	8.7
237.14970	1.1
241.19467	3.5
243.21147	6.0
249.06160	3.8
255.21132	1.5
257.22717	2.1
267.21036	7.3
269.22739	1.3
273.22089	1.9
285.22137	27.6
294.88495	1.3
303.23184	33.0
321.24249	100.0
322.24490	1.4
339.25229	1.2
358.48892	1.4
363.25458	1.6
400.11261	1.7
411.25421	1.8
428.85132	1.2
533.27228	1.6
551.28436	4.0
569.29535	1.7
586.30261	1.5
604.32178	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33183	2.1
53.03941	4.2
55.01867	5.2
55.05511	6.8
57.03441	4.7
61.02926	3.4
65.03942	2.1
66.00679	1.9
66.29241	1.6
67.05511	9.0
69.03432	17.2
69.07066	9.3
69.17549	14.6
69.17976	6.6
71.05001	5.2
73.02914	5.1
73.93511	2.0
79.05495	6.8
79.64732	1.9
80.27854	2.0
81.03429	20.0
81.07053	19.0
83.01366	2.4
83.04991	2.5
83.08620	3.7
85.02917	36.4
85.17327	1.9
87.00846	17.7
91.05495	8.7
93.07052	10.2
95.04991	5.7
95.08609	16.0
96.05323	2.7
97.02898	27.7
97.06533	4.7
97.10167	3.7
99.04448	7.6
99.08105	3.0
105.01876	16.9
105.07014	9.3
107.08586	16.5
109.02878	15.2
109.10179	18.3
111.04459	2.3
111.08057	2.9
115.05407	2.1
115.07550	3.1
116.90853	1.8
117.01855	2.7
117.07021	3.4
119.08596	16.9
121.06486	2.5
121.10172	14.5
123.11709	9.2
125.09653	4.0
127.03903	29.9
131.08574	6.2
132.08910	2.4
133.10139	15.7
135.08054	4.0
135.11719	8.6
139.11171	2.1
145.04968	8.9
145.10107	10.8
147.04462	3.7
147.08061	2.5
147.11717	14.2
149.09695	3.5
149.13226	4.9
151.11221	4.1
153.12799	2.3
157.10104	6.4
159.02864	4.4
159.11723	11.0
161.05965	3.1
161.13261	10.1
163.11201	7.1
163.14816	4.3
165.09102	2.8
165.12750	4.7
171.11719	4.6
173.13245	4.7
175.11153	2.9
175.14828	4.8
177.12761	16.2
177.16281	2.4
180.36066	2.1
185.13252	2.7
187.14790	7.8
189.16380	2.6
191.14310	5.1
193.12202	2.7
199.14751	4.2
201.16426	4.7
203.14397	2.8
205.15857	13.3
213.04204	4.3
231.04987	10.2
231.17529	3.9
243.21007	4.0
249.06087	2.4
267.21158	4.5
270.19574	2.4
273.14822	3.2
273.22107	10.8
285.22192	36.0
291.23196	4.3
301.14252	3.1
302.14764	2.6
303.23209	56.9
321.24252	100.0
339.25327	6.2
440.30502	2.4
533.27399	6.8
551.28632	6.5
565.41302	2.2
568.29749	2.3
569.29169	3.5
586.30713	6.2
604.31738	12.5
616.20380	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	604.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33183	2.1
53.03941	4.2
55.01867	5.2
55.05511	6.8
57.03441	4.7
61.02926	3.4
65.03942	2.1
66.00679	1.9
66.29241	1.6
67.05511	9.0
69.03432	17.2
69.07066	9.3
69.17549	14.6
69.17976	6.6
71.05001	5.2
73.02914	5.1
73.93511	2.0
79.05495	6.8
79.64732	1.9
80.27854	2.0
81.03429	20.0
81.07053	19.0
83.01366	2.4
83.04991	2.5
83.08620	3.7
85.02917	36.4
85.17327	1.9
87.00846	17.7
91.05495	8.7
93.07052	10.2
95.04991	5.7
95.08609	16.0
96.05323	2.7
97.02898	27.7
97.06533	4.7
97.10167	3.7
99.04448	7.6
99.08105	3.0
105.01876	16.9
105.07014	9.3
107.08586	16.5
109.02878	15.2
109.10179	18.3
111.04459	2.3
111.08057	2.9
115.05407	2.1
115.07550	3.1
116.90853	1.8
117.01855	2.7
117.07021	3.4
119.08596	16.9
121.06486	2.5
121.10172	14.5
123.11709	9.2
125.09653	4.0
127.03903	29.9
131.08574	6.2
132.08910	2.4
133.10139	15.7
135.08054	4.0
135.11719	8.6
139.11171	2.1
145.04968	8.9
145.10107	10.8
147.04462	3.7
147.08061	2.5
147.11717	14.2
149.09695	3.5
149.13226	4.9
151.11221	4.1
153.12799	2.3
157.10104	6.4
159.02864	4.4
159.11723	11.0
161.05965	3.1
161.13261	10.1
163.11201	7.1
163.14816	4.3
165.09102	2.8
165.12750	4.7
171.11719	4.6
173.13245	4.7
175.11153	2.9
175.14828	4.8
177.12761	16.2
177.16281	2.4
180.36066	2.1
185.13252	2.7
187.14790	7.8
189.16380	2.6
191.14310	5.1
193.12202	2.7
199.14751	4.2
201.16426	4.7
203.14397	2.8
205.15857	13.3
213.04204	4.3
231.04987	10.2
231.17529	3.9
243.21007	4.0
249.06087	2.4
267.21158	4.5
270.19574	2.4
273.14822	3.2
273.22107	10.8
285.22192	36.0
291.23196	4.3
301.14252	3.1
302.14764	2.6
303.23209	56.9
321.24252	100.0
339.25327	6.2
440.30502	2.4
533.27399	6.8
551.28632	6.5
565.41302	2.2
568.29749	2.3
569.29169	3.5
586.30713	6.2
604.31738	12.5
616.20380	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	604.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01880	6.0
55.05280	0.7
55.05517	7.5
57.03438	1.8
57.07064	0.9
60.73008	0.7
65.03954	1.0
67.05507	17.3
69.03423	1.7
69.07072	23.2
70.04590	2.7
71.04985	2.4
71.08605	0.9
74.03246	0.7
79.05495	19.4
81.02945	0.7
81.03422	13.7
81.06593	1.2
81.07060	17.3
81.07529	1.1
83.04985	9.9
83.08631	2.5
85.06535	1.9
91.05492	13.2
93.06483	1.4
93.07050	20.5
95.04971	7.1
95.08611	19.1
97.06530	7.0
97.10148	2.8
99.04462	2.4
101.83360	0.7
105.04575	0.8
105.07024	8.7
107.04960	42.1
107.08595	14.6
109.06522	2.9
109.10153	6.8
111.04464	7.5
111.08063	0.8
115.05443	0.8
117.07042	5.4
119.08593	10.8
121.06498	4.0
121.09328	1.0
121.10152	12.1
123.08067	3.6
123.11708	1.7
123.43552	0.7
125.09647	2.6
129.06987	2.8
130.07841	0.9
131.08568	8.1
133.06512	2.8
133.10155	8.2
135.08066	6.2
135.11691	2.3
137.09622	3.0
139.11160	4.2
141.06958	0.8
143.08565	2.5
145.10117	7.0
147.08063	2.9
147.11690	3.1
149.09630	28.6
149.13258	2.5
151.07558	2.6
151.11197	1.5
153.09096	2.3
156.57912	0.6
157.10205	3.9
159.08092	0.9
159.11728	5.2
161.09618	4.7
161.13269	1.7
163.11180	2.2
165.12767	1.2
167.10684	2.3
167.14322	3.3
169.10165	1.6
171.11708	2.2
173.09637	1.1
173.11755	1.0
173.13222	2.2
175.11299	3.9
177.12784	2.4
179.10666	3.6
183.11617	1.3
185.09630	1.2
185.13300	1.1
187.11205	1.7
187.14772	0.9
189.12750	1.6
193.12225	1.0
195.13818	5.2
203.10818	1.4
203.12778	3.0
213.13129	0.7
217.19627	0.8
221.11723	2.5
223.13234	0.8
227.18045	1.4
231.17389	1.2
235.13242	2.0
243.21187	1.0
245.19046	4.0
255.17456	2.2
261.22165	3.1
263.20081	2.8
273.18491	13.5
275.20065	1.7
277.21625	2.2
279.23419	1.0
291.19556	100.0
299.40027	0.7
309.20572	5.2
343.63971	0.7
353.86383	0.7
385.19382	0.7
445.46432	0.7
457.33307	0.8
533.39703	0.9
551.40759	2.0
569.41553	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	604.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77119	1.8
53.03936	5.2
55.01868	7.5
55.05513	24.6
57.03434	4.3
57.07068	4.1
67.05510	33.9
68.86639	1.6
69.03429	3.4
69.07073	22.5
70.70125	3.6
71.04981	2.2
79.05498	49.3
81.03414	4.9
81.07059	61.4
83.04963	7.2
83.08632	16.4
85.06540	3.3
87.04473	3.1
91.05481	34.0
93.07051	39.4
95.04965	17.9
95.08610	23.8
97.06526	9.8
97.10169	16.4
105.07040	25.9
107.04957	14.7
107.08599	22.9
109.06520	7.2
109.10153	10.1
111.04461	9.3
111.08096	3.5
115.05408	2.3
117.07030	12.2
119.08585	32.7
121.06503	8.1
121.10148	19.9
123.08053	10.0
123.11737	3.7
125.09638	12.8
129.06990	7.3
131.08597	15.0
133.10144	16.2
135.08064	14.0
135.11687	9.8
137.09639	4.1
139.11163	8.0
143.08560	6.8
143.10611	2.2
145.10130	15.3
147.08055	10.9
147.11688	8.9
149.09607	5.6
149.13298	2.9
153.09079	4.2
153.12663	2.5
155.08580	2.9
156.73921	1.8
157.10103	6.9
159.11665	6.6
161.09601	3.4
161.13242	2.8
163.11208	8.4
165.09128	6.1
169.10092	3.0
171.11713	3.8
173.09673	2.3
173.11818	2.3
173.13275	4.2
175.11160	3.3
177.12706	2.2
181.12213	5.4
183.11784	2.0
183.13707	2.1
189.11258	15.7
191.10774	3.4
203.12793	4.6
207.13780	1.9
209.11705	2.6
213.16312	2.0
223.13304	6.6
227.12753	5.6
227.17882	2.3
237.14806	4.0
245.18820	2.7
248.62987	1.9
249.14857	2.6
251.08209	1.7
255.17421	4.9
257.19077	3.4
259.20416	2.5
261.22180	4.2
269.24762	2.0
273.18500	24.5
275.20074	52.7
277.21649	9.0
291.19553	100.0
293.21075	17.9
309.20593	6.4
377.51025	1.6
551.40790	4.1
569.41455	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	604.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.9
55.05513	15.4
65.16658	2.1
67.05508	25.5
69.03414	2.4
69.07074	34.1
70.77642	5.0
79.05074	2.6
79.05501	34.0
81.03403	4.1
81.06658	3.0
81.07067	33.7
83.04971	10.1
83.08611	7.7
85.06531	3.4
86.04326	2.4
91.05473	33.2
93.07054	41.6
95.04991	14.6
95.08614	23.3
95.49666	2.0
96.12295	2.4
97.06523	7.6
97.10142	2.9
99.62349	2.4
105.07043	34.5
107.04964	17.3
107.08598	20.3
109.06527	4.3
109.10175	5.0
111.11757	3.0
117.07042	10.9
119.08588	24.7
121.06493	2.2
121.10154	23.1
123.08057	2.6
123.11693	4.0
129.07028	4.1
131.08578	14.6
133.10124	25.2
135.08034	16.5
135.11667	5.5
137.09470	2.8
139.11160	11.9
143.08549	4.6
145.10115	12.0
147.11697	11.8
149.09618	6.3
149.13168	2.8
155.08646	2.2
157.10077	5.0
159.11699	8.5
161.13211	3.4
163.11246	4.0
169.10057	3.5
171.11676	5.2
173.13258	6.7
183.11761	2.6
185.13261	3.4
187.14865	2.7
197.13239	3.2
203.12769	9.1
207.13850	2.5
223.13307	2.8
237.14888	8.8
239.18018	5.8
247.20599	3.8
257.19022	5.1
259.20502	4.3
275.20074	100.0
276.20749	3.5
277.21680	7.8
293.21103	35.2
367.29861	4.7
369.27744	4.9
379.03741	2.3
515.38898	2.4
551.40607	4.9
576.53241	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	605.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17354	0.4
55.05500	1.2
57.07069	0.7
67.05506	1.4
68.12907	0.4
68.90074	0.4
69.07079	0.8
71.08643	0.9
71.44749	0.5
77.94151	0.5
79.05500	0.9
79.32341	0.4
81.07049	2.4
83.08642	0.4
84.58295	0.4
91.05490	0.7
91.21458	0.4
93.07066	1.0
95.08630	1.2
105.07048	0.9
107.08597	1.2
109.10178	0.6
119.08586	1.0
121.10138	0.9
133.10104	0.7
135.11690	0.6
145.10115	0.5
179.59116	0.4
269.24698	0.5
275.20078	1.1
313.27551	1.0
339.43207	0.5
349.23840	1.0
401.17444	0.7
412.17789	0.5
413.17865	0.5
414.18561	1.4
415.19125	3.6
416.20279	1.3
427.19781	1.0
428.20297	1.4
429.20935	6.7
430.21658	4.2
431.22803	0.6
443.22626	4.1
444.23782	5.3
445.24341	3.8
448.26263	0.8
456.19473	0.5
457.19400	0.9
457.24820	0.8
458.25677	2.1
459.21802	2.6
459.26196	1.4
471.21957	1.0
472.22723	3.1
473.23578	4.9
474.24039	1.4
485.23529	3.3
486.24170	1.6
487.24997	20.6
488.25674	0.9
489.22333	0.9
501.24292	0.5
503.24768	2.1
504.25858	0.6
513.22681	0.8
517.26379	3.3
518.23273	0.9
531.24310	0.7
532.24384	0.6
545.25568	18.1
546.26147	3.5
573.25128	1.5
577.28021	0.5
587.47064	0.5
590.24927	0.6
605.27625	100.0
606.27960	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83619	1.7
53.03946	5.3
53.67242	2.0
55.01865	4.7
55.05497	10.4
56.42981	2.0
57.03430	3.3
57.07080	4.0
61.02911	3.8
67.05495	12.6
69.03434	21.5
69.07061	14.4
69.62171	12.2
71.04997	6.7
73.02919	2.9
79.05497	13.3
81.03417	20.3
81.07056	37.3
83.04984	6.0
83.08611	5.0
85.02909	54.6
85.06552	4.1
86.09705	3.0
87.00822	23.2
91.05470	13.0
93.07043	27.5
95.04969	7.2
95.08604	45.8
95.09180	3.4
97.02893	22.1
97.06521	11.5
97.10174	3.5
98.21473	4.1
99.04448	13.8
99.08112	2.9
105.01877	15.9
105.07037	43.2
107.08606	29.9
109.02882	20.8
109.06531	7.5
109.10159	25.4
111.08091	4.4
111.11717	2.1
115.07559	5.7
117.07018	6.7
119.07814	3.5
119.08589	46.2
121.06528	2.8
121.10145	28.6
123.08112	2.4
123.11701	13.4
125.09663	2.3
127.03906	38.6
129.01762	2.5
129.07008	2.3
129.84912	1.9
131.08560	22.7
133.09149	2.0
133.10138	38.3
135.08069	2.4
135.11700	13.3
142.07863	3.5
143.08553	12.7
143.10698	4.8
145.04939	14.2
145.10132	48.5
147.02863	2.0
147.11682	32.6
149.13289	12.9
151.11208	5.4
155.08540	4.7
157.10161	16.4
159.02910	8.2
159.11682	28.2
161.09648	2.5
161.13252	20.4
163.03889	2.5
163.14827	4.9
165.12816	3.8
169.10155	10.4
171.11682	16.3
173.09784	3.4
173.13258	24.8
175.14821	100.0
177.12791	5.9
177.16406	6.7
182.10983	2.2
183.11687	9.2
185.13235	13.1
187.14830	21.2
189.16364	19.5
191.14365	5.8
193.15880	44.9
196.12379	2.8
197.13240	8.0
199.14795	19.8
201.16325	9.8
203.17982	6.1
205.15858	10.7
207.17509	4.5
209.13257	2.5
209.15356	3.8
211.14828	9.1
213.16463	6.2
215.17943	19.4
225.16420	8.2
227.17940	6.9
229.15894	3.2
229.19540	3.9
231.04968	11.6
241.19518	5.6
243.17387	2.6
243.21121	10.3
245.18895	3.7
249.05954	2.2
253.19623	2.0
255.21072	38.8
255.23627	3.0
255.43019	2.1
257.22778	11.0
261.22186	2.2
267.21091	32.1
269.22583	3.1
273.22116	39.7
285.22107	59.7
291.23154	46.5
301.11365	2.0
301.21576	3.0
303.23169	60.5
309.24316	4.9
321.24265	31.1
328.11826	2.0
339.25348	14.9
357.26492	2.5
393.24310	3.2
411.24802	2.1
412.47845	2.0
497.25235	2.8
515.26166	6.3
521.27344	2.3
533.27325	8.5
551.28278	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	605.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26539	2.4
52.62708	2.4
53.03947	7.4
55.01867	5.0
55.05515	31.7
57.03435	8.3
57.07072	9.1
59.05014	5.1
61.02931	14.7
67.05503	40.7
69.03437	25.9
69.07072	50.4
70.06593	4.8
71.04992	8.6
73.02924	9.7
79.05499	37.6
81.03443	26.1
81.07066	100.0
83.04987	12.0
83.08624	8.6
85.02908	39.1
85.06532	5.9
87.00840	5.7
87.04497	13.5
91.03960	5.8
91.05499	34.2
93.07049	66.5
95.04969	30.0
95.08617	71.3
95.33522	2.5
97.02894	27.5
97.06541	11.4
97.07101	2.9
97.10178	55.6
99.04465	10.5
99.08107	8.3
101.06071	3.8
103.03938	3.6
105.01847	5.1
105.07040	39.9
107.04969	5.0
107.08605	35.4
109.02882	16.9
109.06525	14.9
109.10171	30.1
111.04447	3.1
111.08109	13.3
111.11721	12.0
117.07029	7.9
118.11072	2.7
119.08593	30.8
121.06505	5.9
121.10154	34.7
123.08079	10.8
123.11722	51.2
125.06023	3.7
125.09661	9.4
127.03934	22.5
127.07559	2.7
129.07039	9.2
131.08600	9.7
133.06534	3.2
133.10141	23.6
135.04572	2.6
135.08081	4.6
135.11697	30.7
137.09631	6.4
137.13239	14.6
139.11194	32.5
143.08562	6.3
143.10661	6.1
145.04977	7.6
145.06445	4.0
145.10133	18.2
147.04472	5.4
147.08038	6.4
147.11716	36.5
149.09618	8.0
149.13260	11.7
151.11201	8.7
151.14931	3.9
153.12750	18.5
157.10208	7.8
157.12231	17.8
159.11711	19.3
161.09555	3.1
161.13278	12.2
163.03897	2.9
163.11200	7.7
165.09125	3.2
165.12804	9.9
167.08659	3.5
169.10115	2.9
169.12309	4.0
169.40681	3.7
171.11702	12.6
171.13821	3.8
173.09612	3.8
173.13258	8.5
175.14877	3.7
177.12732	5.5
179.14281	6.4
183.11743	5.2
184.07330	3.6
185.13315	4.6
187.11276	3.5
187.13297	8.5
187.14911	8.2
189.11270	3.5
189.12840	6.0
191.14259	3.9
201.16400	4.6
203.12767	6.8
207.13861	21.3
211.14993	4.0
213.03870	4.1
225.12856	3.6
233.15416	3.9
235.73212	2.9
251.16531	8.6
257.22916	3.3
267.20990	5.2
269.17560	3.8
275.23575	5.5
277.21570	6.2
281.17465	47.1
281.20361	4.6
285.22159	10.2
287.16467	4.6
291.23264	10.0
303.13458	11.5
303.19711	3.6
303.23218	63.0
309.24210	10.4
315.23584	3.1
319.38089	2.9
321.24292	92.2
331.19052	4.0
339.25287	45.1
357.26346	6.7
361.20200	7.4
389.19998	3.5
425.21561	4.9
429.26749	3.8
443.22971	8.2
447.26855	3.5
533.27582	3.1
605.24438	10.3
605.34338	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	606.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02419	0.4
53.03941	1.7
54.48034	0.4
55.01871	0.6
55.05278	0.7
55.05518	7.8
57.03441	7.1
57.07075	0.9
63.12590	0.5
65.03925	1.1
67.05511	31.9
68.05022	1.3
69.03436	0.4
69.07072	8.0
70.06598	1.1
71.05003	2.7
71.16798	0.8
72.04517	0.9
73.72301	0.4
79.05499	14.4
81.07064	25.2
82.06564	0.8
83.04990	0.9
83.08616	2.4
85.06551	0.9
87.89687	0.4
88.80270	0.4
91.05485	9.0
93.07049	17.2
95.04968	1.8
95.08614	21.5
96.08139	2.6
97.06537	1.5
97.10162	1.0
100.03992	0.5
105.07038	4.1
107.08601	6.7
109.06494	1.1
109.10168	5.8
110.09718	2.2
111.08128	0.5
113.06012	1.6
114.05533	1.7
114.09177	6.2
117.07027	1.3
119.08598	4.5
121.10162	5.7
123.08023	0.7
123.11737	1.5
125.09638	0.6
131.08551	2.3
133.10103	2.0
135.11697	2.7
135.43932	0.4
138.09134	2.1
145.10118	1.9
147.11693	1.6
149.13284	1.4
149.63609	0.4
156.10208	9.5
159.11717	0.8
160.12021	0.5
161.13316	1.2
163.14830	0.5
173.13297	0.6
174.07693	1.4
174.11269	27.3
212.07001	0.6
261.22232	0.9
272.08954	30.6
289.44345	0.5
335.25818	100.0
346.12671	0.5
550.00415	0.5
606.33978	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60275	0.4
53.03934	1.6
55.05515	7.9
56.05021	0.7
57.03195	0.7
57.03440	7.1
60.26865	0.5
60.99625	0.5
65.03932	2.0
67.04243	0.5
67.05508	30.2
69.06729	0.7
69.07075	7.8
70.06593	5.8
71.05006	0.6
79.05499	15.7
80.05017	2.1
81.07060	25.6
82.06581	2.6
83.04955	0.6
83.08613	2.7
84.04500	1.6
84.08139	1.0
85.02879	0.5
85.06535	0.7
86.06067	1.3
91.05482	7.5
93.07047	19.3
93.07644	1.0
95.04979	0.7
95.08614	19.2
97.06520	1.2
97.10126	1.0
98.06059	11.2
105.07037	4.6
107.08608	7.4
109.09473	0.8
109.10170	8.4
112.07602	2.1
112.14039	0.5
113.08396	1.1
114.09174	1.0
117.07007	1.1
117.35225	0.5
119.08591	4.0
121.10153	6.2
123.08085	0.6
123.11691	1.9
128.07057	0.9
131.08583	2.8
133.10138	2.5
135.11678	3.4
138.09114	0.6
145.10075	1.6
147.11659	0.7
149.13237	1.2
154.02780	0.5
156.10217	2.1
159.11725	1.0
168.04218	1.3
174.11272	6.5
187.12569	0.5
196.03702	4.9
210.13330	0.5
261.22290	0.8
270.07562	1.0
272.08948	31.1
335.25815	100.0
336.26221	1.3
417.83459	0.6
519.23450	1.0
606.24072	0.7
606.33545	0.7
607.25500	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	606.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43024	0.8
53.03946	5.6
55.01878	6.8
55.05517	11.9
57.03442	5.4
57.07067	3.1
60.69500	0.9
61.02936	5.3
63.17124	0.9
67.05514	10.1
68.99787	2.2
69.03089	1.8
69.03436	26.5
69.07070	12.2
69.18597	8.4
71.05023	6.2
73.02932	5.6
79.05502	9.0
81.03421	25.7
81.06590	1.6
81.07060	22.5
83.04995	2.6
83.08626	9.9
84.04516	1.2
85.02911	62.8
85.06520	2.4
87.00836	29.4
87.04465	1.1
91.03953	1.4
91.05479	8.3
93.07050	19.4
95.04958	2.7
95.08614	29.5
97.02897	32.4
97.03527	1.5
97.06536	3.4
97.10200	4.5
98.20708	2.0
99.04460	13.0
99.08081	3.4
101.06022	1.0
105.01872	26.8
105.07040	21.3
105.71451	1.0
107.08602	30.3
109.02889	22.2
109.06509	2.1
109.10165	29.1
111.08109	1.8
111.11729	1.2
113.05933	1.0
115.03933	1.5
115.07561	3.2
117.01846	3.4
117.07020	2.5
117.09135	3.3
119.04945	1.0
119.08590	30.6
121.10154	33.5
123.08077	1.9
123.11709	10.7
125.09644	2.4
127.03926	45.2
129.01865	3.5
129.06998	1.6
131.08580	7.2
133.09138	1.5
133.10135	28.0
135.11707	19.3
137.09608	2.8
137.13266	2.9
139.11191	2.3
143.08554	4.4
143.10672	9.2
145.04979	15.6
145.10121	14.7
147.02896	2.1
147.11697	22.7
149.09589	1.1
149.13271	11.9
151.11160	2.0
157.10138	8.2
159.02892	11.9
159.11699	17.3
161.09500	1.2
161.13277	16.7
163.11183	2.0
163.14822	19.7
165.12726	2.1
171.11684	5.7
173.04492	2.3
173.13284	12.1
175.14830	10.3
177.12759	3.4
177.16394	17.0
179.14316	3.8
185.13300	6.1
187.14836	10.0
189.03912	1.2
189.16400	35.0
191.14308	5.6
191.17961	11.5
195.13608	1.1
199.14815	5.8
201.16441	9.1
203.14397	3.4
203.17923	7.0
205.15869	5.8
205.19482	1.5
207.17447	34.4
209.15334	8.1
210.14967	2.7
213.03920	4.1
213.16420	10.3
215.17973	3.1
217.16092	1.9
217.19528	15.2
221.15388	5.7
221.19067	1.8
227.17924	4.5
229.19531	6.6
231.05026	12.1
231.17424	1.7
241.19492	1.5
243.21040	8.4
245.22696	1.4
249.06078	4.3
257.22595	3.8
259.24139	2.7
267.21042	1.7
269.22662	43.2
271.24127	6.3
275.23795	2.6
277.05411	1.6
285.22217	1.8
287.23703	63.6
289.25348	1.5
303.23169	2.2
304.23596	1.4
305.24765	100.0
323.25766	9.8
395.25867	1.5
499.26520	2.1
517.27917	6.2
523.28674	1.4
535.28851	5.8
538.33710	5.2
553.30334	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	606.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01886	3.1
55.05509	9.1
56.76490	1.3
57.03431	4.0
57.07085	1.8
61.02919	3.2
67.05495	5.6
69.03432	18.2
69.07079	11.6
70.05275	5.2
71.04999	3.1
73.02916	5.8
74.42347	1.4
79.05502	5.3
81.03426	20.8
81.07065	19.8
83.08624	9.5
85.02909	62.1
85.06540	2.1
87.00832	26.7
87.04473	1.7
91.05470	9.1
93.07043	16.0
95.04967	3.9
95.08616	28.2
97.02901	27.0
97.06527	2.6
97.10155	4.5
99.04465	10.5
99.08102	2.5
105.01866	26.1
105.07035	14.7
107.08596	28.3
108.98523	1.4
109.02883	20.3
109.09463	2.3
109.10162	23.3
111.08062	1.8
111.11732	1.8
113.54279	1.3
117.01837	2.3
117.09213	1.6
119.08586	24.3
121.10143	28.2
123.11697	6.5
125.09646	1.6
127.03922	43.5
127.04828	2.8
129.01843	2.2
131.08575	7.2
133.10135	23.2
135.08025	1.6
135.11694	17.4
137.13245	3.4
143.08586	3.1
143.10635	7.0
145.04955	19.3
145.10135	12.6
147.11691	21.1
149.13275	7.3
157.10121	6.6
158.10861	1.8
159.02882	9.4
159.11705	15.8
161.13263	16.8
163.11203	2.9
163.14813	19.2
165.12825	1.9
171.11729	6.0
173.04483	1.8
173.13278	12.4
175.14885	7.2
177.12804	2.5
177.16364	14.9
179.14362	2.9
185.13222	5.6
187.14841	11.5
189.16388	32.0
191.14359	4.7
191.17960	11.5
199.14790	6.6
201.16403	5.9
203.14342	2.6
203.17976	5.7
205.15881	5.0
205.19586	1.5
207.17461	25.9
209.15314	4.4
213.03909	3.9
213.16379	8.1
214.50404	1.6
215.17940	2.7
217.16058	2.3
217.19580	13.8
221.15334	4.1
221.18988	2.1
227.17899	5.2
229.19562	5.3
231.05052	12.6
241.19531	2.5
243.20984	6.8
245.22743	1.8
249.06064	4.5
257.22571	2.1
259.24249	1.9
261.28128	1.5
269.19931	2.9
269.22659	42.6
271.24210	3.5
287.23706	53.7
289.25339	1.8
305.24756	100.0
323.25735	10.5
427.92093	1.6
499.26831	2.7
517.27893	5.8
535.29388	8.7
538.33850	3.1
553.29779	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	606.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.6
55.01859	4.7
55.02098	1.3
55.05514	8.7
57.03422	3.6
57.07060	1.3
61.02907	4.5
67.05500	7.5
69.03435	20.6
69.07063	8.8
69.20942	6.8
69.21363	5.9
71.05002	3.5
73.02904	3.9
73.06538	1.8
79.05495	6.2
81.03439	14.9
81.07065	18.4
83.08642	9.4
85.02916	48.7
85.06545	3.1
87.00830	23.8
88.29153	1.2
91.05475	4.8
93.07054	13.8
95.04951	2.6
95.08610	24.7
97.02901	25.0
97.06536	3.7
97.10165	4.0
98.21486	2.2
99.04456	8.1
99.08080	4.6
102.55669	1.2
105.01196	1.8
105.01877	24.6
105.07041	14.2
105.10397	1.4
107.08607	22.6
109.02889	17.1
109.10165	24.5
110.64423	1.1
113.06032	1.7
115.07556	2.9
117.01864	2.1
117.07042	2.5
117.09136	3.3
119.07803	2.3
119.08591	22.4
121.10152	25.5
123.11700	10.2
125.09656	1.9
127.03925	40.7
127.07544	1.4
129.01794	3.2
131.08566	7.9
133.10149	18.8
135.11691	14.1
137.09618	1.8
137.13231	2.2
139.11150	1.7
141.09099	1.5
143.08562	3.6
143.10658	5.3
145.04977	13.5
145.10144	12.1
147.11707	18.8
149.13260	8.9
157.10103	5.5
157.78795	1.6
159.02951	10.2
159.11697	17.7
161.13280	17.7
163.14833	20.7
165.12712	1.6
171.11700	4.6
173.13260	10.5
175.14864	10.5
177.12827	2.6
177.16393	11.6
179.14255	4.2
185.13275	6.0
187.14771	12.0
189.16405	27.4
191.12758	1.6
191.14325	5.5
191.17981	14.8
193.12216	1.9
199.14857	8.8
201.16435	7.0
203.14264	3.6
203.17960	3.9
205.15932	7.3
205.19443	1.9
207.15572	2.6
207.17459	36.6
209.15384	6.9
213.03931	2.7
213.16364	10.4
215.18028	2.4
217.15961	2.0
217.19510	14.9
221.15407	3.3
227.17952	3.6
229.19479	5.5
231.05008	12.3
243.21059	8.2
245.22609	1.8
249.06053	4.6
257.22653	3.6
259.24387	3.0
269.22672	43.6
271.24182	5.5
285.22232	1.5
287.23712	57.6
305.24765	100.0
323.25897	8.6
395.25793	2.3
398.01660	1.4
453.13742	1.4
468.85876	1.3
506.35837	1.5
517.28143	7.4
535.28656	8.7
536.83301	1.6
553.29724	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	606.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.7
55.01857	5.2
55.05514	19.9
57.03440	3.6
57.07068	6.7
65.03919	2.4
67.05180	3.7
67.05511	54.7
69.03419	6.9
69.07070	37.6
69.17868	23.3
70.07424	3.1
71.04995	4.6
71.08626	8.7
79.05495	50.1
81.03426	21.9
81.07060	43.0
82.07393	3.1
82.36171	2.0
83.04966	9.9
83.08620	9.5
83.44873	2.0
85.06534	6.0
91.05485	38.5
91.56442	2.1
93.07049	53.3
94.07385	3.9
95.04971	19.9
95.08610	38.3
96.08911	3.9
97.06562	10.5
97.10165	9.8
99.08107	4.7
105.07037	26.5
107.04964	17.8
107.08608	27.3
108.05372	4.7
109.06516	5.2
109.10152	19.2
117.07010	11.2
119.08582	22.5
121.06509	2.9
121.10152	32.4
123.08061	5.4
123.11700	3.5
125.09516	2.6
129.06990	5.5
131.08583	15.4
133.10129	23.0
135.08075	6.3
135.11699	14.4
137.09630	13.1
137.13297	2.5
139.11191	12.6
143.08586	4.6
145.10143	14.0
147.11708	14.2
149.09671	12.8
149.13261	9.2
150.09961	4.7
151.11211	10.7
157.10162	5.8
159.11723	9.8
161.13220	6.8
163.11206	5.3
167.10733	2.2
169.10075	2.9
171.11777	3.5
173.13286	5.8
175.11252	2.2
175.14818	5.4
185.13303	3.0
187.14894	2.3
189.12766	2.6
191.14232	2.3
195.13832	2.4
203.12766	9.8
203.14490	2.6
212.08794	2.2
213.74658	2.3
221.15517	3.0
239.17819	2.2
241.19722	4.3
259.20496	6.3
261.22095	3.8
274.18839	3.1
275.20090	54.9
276.20663	5.5
277.21640	100.0
291.19553	16.3
292.19827	25.1
293.20523	24.7
295.22690	77.0
301.21579	5.0
302.05646	2.8
369.31451	4.7
515.54669	2.3
535.41406	3.6
546.25482	7.4
553.42126	7.7
571.43164	5.7
606.26874	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	606.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01886	3.8
55.05514	10.1
57.07070	5.6
58.35738	1.7
67.05515	22.2
69.07065	6.0
71.04998	3.7
71.08631	28.0
79.05499	13.9
81.03427	13.4
81.07056	22.5
83.04977	11.9
83.08617	3.4
85.06541	3.7
91.05482	11.8
93.07050	16.4
95.04966	17.1
95.08601	22.1
97.06510	2.2
99.04468	3.3
99.08100	25.0
105.07027	8.3
107.08585	8.3
107.09222	1.8
109.06538	3.8
109.10162	9.3
112.71139	1.8
117.07014	4.9
119.08574	5.6
121.10159	6.7
123.11670	2.3
130.50873	2.0
131.08620	6.2
133.10143	6.7
135.11678	5.3
137.09605	7.4
141.09158	1.8
145.10074	3.2
149.13225	4.6
151.11183	64.2
155.10675	11.6
159.11679	5.4
161.13257	2.1
167.14333	4.1
173.13251	2.0
177.12784	8.0
190.60654	1.7
195.13820	24.4
247.20195	2.4
251.41429	1.9
261.22202	5.6
275.20105	10.5
277.21603	2.9
293.21112	100.0
295.22729	2.2
535.41577	2.1
553.43018	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	606.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.4
55.05508	29.7
57.07071	20.1
61.82391	6.6
63.17836	5.8
67.05505	51.8
69.07075	40.4
71.08630	8.3
72.10403	6.7
79.05515	53.9
81.03419	14.9
81.07050	58.8
82.43187	7.4
83.04973	10.6
83.08601	11.5
85.10187	30.6
91.05469	51.5
93.07021	53.6
95.04971	20.4
95.08616	49.1
97.06515	12.3
97.10144	17.5
105.07027	51.3
107.04969	18.5
107.08576	43.0
109.06494	9.5
109.10159	22.9
113.09664	14.6
117.07052	19.5
119.08556	37.2
121.10146	29.0
129.07005	9.5
131.08604	11.8
133.10109	39.6
135.08043	11.4
135.11711	12.0
137.09703	6.3
143.08615	11.3
145.10187	18.0
147.11702	20.9
149.09578	6.6
151.11133	15.5
154.98203	6.8
159.11760	10.8
161.13295	11.1
163.11116	10.4
165.12767	19.7
171.11676	10.2
198.70740	7.6
203.12740	8.6
244.78612	7.1
255.61345	8.5
275.20062	87.2
277.21616	87.8
293.21082	29.5
295.22723	100.0
332.23059	7.0
546.25531	16.0
571.43927	9.2
593.70435	7.9
606.27594	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	607.2549
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
69.61275	1.3
73.35551	0.2
107.11467	0.2
111.06803	0.2
144.08112	0.2
183.09119	0.2
207.09296	0.2
221.10907	0.2
223.12357	0.3
247.54233	0.2
249.10254	0.2
324.15143	0.2
326.16629	0.2
374.15421	0.4
375.16180	0.5
376.17157	0.4
386.16476	0.3
387.16360	0.3
388.16754	0.9
389.17639	2.5
390.18597	1.0
391.19165	0.8
401.17767	0.4
402.13992	0.5
402.19022	1.0
403.15314	0.4
403.19427	3.6
404.20279	1.6
405.20764	2.8
407.22351	0.3
415.19699	0.4
416.16345	0.9
416.20914	0.3
417.16129	3.3
417.21146	1.9
418.17679	0.8
418.21649	0.9
419.22498	5.3
420.23212	1.1
428.20374	0.3
429.16724	0.4
430.17792	0.7
431.18277	6.4
432.19138	2.8
433.20068	3.3
435.21698	0.3
443.18478	0.3
444.19620	0.3
445.20258	4.5
446.21066	7.3
447.21713	8.2
448.22858	0.4
459.17267	0.7
459.22000	1.3
460.19269	0.7
461.19647	1.8
462.24191	0.6
463.20508	0.4
463.25977	0.4
473.19458	1.0
473.23886	0.8
474.20438	5.3
474.26639	0.4
475.21127	4.5
476.21796	0.6
477.23035	0.6
478.23828	0.7
487.21323	1.9
488.21924	0.3
489.22510	0.3
490.23621	0.5
491.20013	2.7
501.23010	1.1
504.21933	0.5
505.22397	0.8
506.23260	0.5
519.24054	16.5
520.24268	0.5
532.20599	0.4
547.23413	13.8
548.23724	0.8
551.26538	0.7
561.24896	0.5
579.25983	5.9
589.24213	0.4
607.25507	100.0
608.25763	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
50.83216	0.3
55.05449	0.7
57.07010	0.6
67.05409	1.9
67.05787	0.6
69.06995	0.9
69.32613	1.3
69.33041	1.7
76.97837	0.4
79.05387	1.7
81.03361	0.4
81.06960	2.2
83.08545	0.7
85.10095	0.4
91.05379	2.6
93.06936	1.5
95.08493	1.9
97.06455	0.3
105.07036	2.8
107.04871	0.4
107.08471	1.1
109.06470	0.5
109.10063	0.7
115.36216	0.4
117.06937	0.8
119.08467	1.6
121.10031	0.7
123.05430	1.2
127.23199	0.3
129.06854	0.4
131.08519	0.7
133.10150	2.2
135.11566	0.4
143.08469	0.6
145.09984	1.1
147.11586	1.0
157.10051	0.4
158.09656	0.4
159.11697	0.7
169.10016	0.5
179.30215	0.3
197.10626	0.6
201.16524	0.4
219.17355	1.4
221.10664	0.6
222.11288	0.4
223.12216	1.1
223.14520	0.5
225.13747	0.6
234.11400	0.4
235.12334	0.4
237.10283	0.5
237.13730	0.7
244.63571	0.4
249.10033	0.6
251.11682	0.4
259.20605	0.4
275.19977	1.4
296.11884	0.5
313.27313	0.4
314.27393	0.4
324.11328	0.5
326.12744	0.5
338.12625	0.8
352.14413	0.4
368.17719	0.5
374.15387	0.4
387.15707	0.7
388.16943	0.7
389.17841	2.4
390.18585	0.7
401.17941	0.8
402.14130	0.6
402.18478	1.1
403.14618	0.8
403.19611	4.1
404.20370	1.9
405.20929	2.3
412.16763	0.6
415.14978	0.6
416.16284	1.4
416.20923	0.6
417.16864	2.5
417.20859	2.7
418.21930	0.6
419.22479	4.6
420.23505	0.5
427.19376	0.5
429.16925	1.5
430.17850	1.2
431.18384	8.1
432.19159	2.7
433.20120	2.0
443.18680	0.9
444.19720	0.5
445.20386	6.0
446.21042	4.9
447.21750	8.4
459.18201	2.0
459.22824	0.8
460.18491	0.8
461.19260	0.6
462.24139	0.4
463.25418	0.7
472.18173	0.6
473.18875	0.6
473.23999	0.8
474.20502	7.3
475.21191	8.8
476.21808	1.1
487.21313	2.9
488.22021	0.7
490.23547	1.4
491.20627	1.2
501.22803	1.6
504.21625	0.5
505.22372	0.6
518.22552	0.5
519.24164	11.3
529.22308	0.7
532.21051	0.6
547.23450	50.9
548.24030	1.1
561.24927	0.7
575.22943	2.2
579.26123	3.4
589.24426	1.1
607.25568	100.0
607.43182	4.3
608.26520	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07886	0.4
56.21360	0.4
67.05516	0.8
69.07073	0.6
69.26863	4.0
71.08624	0.6
81.07054	0.9
83.08616	0.5
91.05485	0.6
93.07038	0.8
98.21552	0.9
105.07011	0.4
109.10158	0.5
116.87089	0.4
119.08635	0.4
196.08130	0.4
217.91656	0.4
233.88716	0.4
244.91530	0.4
403.19351	0.8
417.16617	0.8
417.21515	0.6
430.18185	0.7
431.18579	1.4
432.19427	1.1
445.20413	1.9
446.21054	0.9
447.22028	0.8
455.18805	0.6
456.19586	0.5
457.16605	1.0
458.17258	0.6
459.17194	2.2
460.18390	3.6
461.23792	0.7
470.20819	1.1
472.19635	0.6
473.19797	4.2
474.20419	6.0
475.21295	23.7
476.22131	1.7
487.21561	0.7
488.22107	7.2
489.23019	3.5
501.18192	0.7
501.23969	0.8
502.19452	3.6
503.24408	21.8
504.25366	0.9
505.22351	0.8
515.20825	0.9
516.21381	2.8
519.20123	4.0
529.22626	0.7
531.24023	11.1
533.21710	2.4
534.22632	4.9
547.23328	7.9
548.24139	20.1
575.22913	11.0
592.23517	0.6
607.25513	100.0
608.25452	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2554
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.85328	0.3
55.05518	0.4
57.03445	0.5
63.54233	0.3
67.05505	2.3
68.05822	0.3
69.07085	0.3
69.24590	1.9
69.24994	0.7
70.06599	0.5
79.05502	1.0
80.05838	0.3
81.07069	2.4
91.05507	0.8
93.07053	1.4
95.08613	1.5
96.08919	0.4
98.06081	0.7
105.07038	0.5
105.51296	0.3
107.08614	0.8
109.10149	0.6
119.08562	0.4
120.08025	0.3
121.10197	0.5
126.83141	0.3
131.08539	0.3
133.10143	0.3
163.03897	0.3
184.36298	0.3
209.10851	0.4
223.12437	0.5
251.12000	0.3
272.08972	1.1
273.09521	0.4
305.45999	0.3
312.14972	0.3
335.25909	2.0
336.26151	5.4
345.92880	0.3
373.14581	0.4
374.15305	0.3
375.16040	0.4
376.17102	0.4
387.17023	0.4
388.16870	0.6
389.17679	2.1
390.18353	0.8
391.19537	0.6
401.17844	0.4
402.18781	0.7
403.15549	0.4
403.19519	3.8
404.20151	1.9
405.20804	2.7
415.19617	0.5
416.16144	0.5
417.16376	3.9
417.21286	1.1
418.17667	0.9
418.22156	0.6
419.22598	5.4
420.23172	0.4
429.17480	0.5
430.17697	0.5
431.18240	6.8
431.23514	0.5
432.19324	3.0
433.20190	3.8
434.21274	0.4
445.20285	6.1
446.21078	6.5
447.21735	7.7
448.22519	0.5
459.17792	1.1
459.22354	1.2
460.18445	0.6
461.19412	1.7
462.24295	0.5
463.20987	0.8
463.26126	0.5
473.19601	0.9
473.23999	0.5
474.20471	5.2
475.21237	4.9
477.23206	0.8
478.23883	0.7
487.21713	1.6
490.23679	0.4
491.20068	2.3
501.22955	1.2
504.22110	0.4
505.22302	1.2
506.23215	0.8
519.24066	17.2
520.24689	0.4
529.22357	0.5
547.23462	13.5
548.24097	0.4
551.26752	0.4
561.25293	0.4
575.23151	0.6
579.26025	5.8
589.24438	0.4
607.25555	100.0
608.25922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2916
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
50.19515	0.1
57.07077	0.1
67.05462	0.2
69.07032	0.2
71.08593	0.2
79.05463	0.3
81.07003	0.4
91.05462	0.1
93.06963	0.4
95.08572	0.2
95.37032	0.1
98.20807	0.3
105.07011	0.3
107.08546	0.2
109.10159	0.1
119.08549	0.3
121.10107	0.2
122.78213	0.1
123.11681	0.1
147.11612	0.1
149.13089	0.1
159.11610	0.1
197.10693	0.1
207.09106	0.1
209.10680	0.2
221.10625	0.2
223.12338	0.3
235.12315	0.1
237.10274	0.1
247.12144	0.1
277.21741	0.2
286.13541	0.1
300.14975	0.1
313.27441	0.2
314.16650	0.2
324.93967	0.1
373.14688	0.1
376.17230	0.1
387.16177	0.2
388.16748	0.5
389.17557	1.4
390.18515	0.3
391.19144	0.1
400.17816	0.2
401.17700	0.5
402.18338	0.9
403.19226	3.1
404.19907	1.0
405.20807	2.0
414.19208	0.1
415.14706	0.2
415.19827	0.6
416.15363	0.2
416.20490	0.9
417.16583	0.9
417.21408	3.4
418.21854	2.1
419.22409	3.5
429.16251	0.2
429.21371	0.2
430.16989	1.0
430.22269	0.5
431.18192	7.7
432.18640	1.8
432.24121	0.4
433.24103	7.9
434.24731	1.1
443.18381	0.2
444.18390	0.7
445.19821	9.6
446.20770	4.7
447.21689	4.2
448.18698	0.1
449.23273	0.3
457.20264	0.4
458.21045	0.2
459.21594	5.1
460.22546	11.0
461.23389	12.5
462.24771	0.3
463.21585	0.3
472.22208	0.2
473.23785	3.5
474.24362	0.9
475.21423	0.2
476.22098	0.2
477.22949	0.6
487.25067	2.1
488.25873	0.6
489.22766	0.6
491.20383	0.4
491.24622	0.5
492.25439	1.0
501.23215	0.2
503.20834	0.2
504.25430	0.3
505.21750	3.0
506.26895	0.6
515.24426	0.7
517.22638	0.3
518.23016	0.5
519.24213	1.7
521.28662	0.2
532.25006	0.6
533.25574	0.5
546.22784	0.2
547.27063	34.2
548.27448	0.5
549.25165	0.2
563.23529	0.2
564.27405	0.2
575.26508	1.2
577.23718	0.1
578.25311	0.5
579.29669	0.7
589.47992	0.2
592.26624	0.2
607.29144	100.0
608.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2917
Annotation	13-epi-Phaeophorbide a methyl ester
Peak:m/z	Relative Intensity
71.13023	0.5
71.13351	0.3
79.05476	0.3
81.07023	0.3
100.58576	0.3
103.97600	0.3
105.06982	0.4
114.91602	0.3
125.67279	0.3
130.41722	0.3
182.35548	0.3
185.73541	0.3
224.84929	0.3
387.16345	0.4
388.16766	0.4
389.17624	1.3
390.18771	0.3
391.19080	0.4
400.17526	0.4
401.17938	0.6
402.18555	1.3
403.19250	3.3
404.19931	0.7
405.20724	1.4
415.18970	0.4
416.20175	0.7
417.16064	0.6
417.21277	3.5
418.21646	2.6
419.22443	3.4
430.17923	1.2
431.18082	8.3
431.23578	0.7
432.18567	2.1
433.23984	10.8
434.24527	1.2
444.19449	0.7
445.19836	10.4
446.20657	4.5
447.21765	3.8
457.20337	0.4
458.21130	0.5
459.21295	4.3
460.22528	10.9
461.23383	14.0
462.19910	0.4
473.23615	3.5
474.24289	1.7
477.22699	0.5
487.25220	2.1
488.25601	0.5
489.22736	0.4
491.24353	1.0
492.25153	0.8
505.21686	2.1
506.26712	0.6
515.24658	0.7
519.27161	2.1
532.24817	0.9
533.25549	0.7
547.27057	49.9
548.27264	1.0
575.26349	1.1
579.29810	0.8
607.29163	100.0
608.29706	1.3
634.90839	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80996	1.2
53.03939	5.5
55.01872	3.6
55.05277	1.4
55.05515	19.8
57.03437	2.5
57.07071	4.7
61.02924	2.3
67.05511	27.3
69.03441	11.9
69.06734	2.1
69.07075	26.7
69.19931	5.6
69.20358	7.1
70.41810	1.3
71.05000	4.8
73.02918	3.2
79.05494	18.6
81.03422	15.9
81.07062	75.0
82.25818	1.3
83.04964	1.7
83.08620	13.6
85.02914	28.3
85.06535	4.1
87.00834	14.1
87.04461	1.4
91.05483	17.0
93.07051	49.4
95.04954	4.4
95.08617	63.2
95.91639	1.6
97.02896	14.6
97.06527	8.1
97.10175	14.4
98.97601	2.0
99.04464	8.9
105.01890	8.0
105.04527	1.5
105.07037	24.4
107.08603	44.2
109.02901	10.1
109.06535	3.4
109.10167	44.7
111.04430	2.0
111.08087	6.2
111.11725	4.1
112.35698	1.4
117.07001	3.5
119.08588	25.7
121.06501	1.4
121.10156	39.4
123.08098	3.4
123.11714	27.2
125.09624	4.3
127.03931	20.0
128.91335	1.4
129.07065	2.0
131.08586	3.6
133.10156	23.2
135.11700	25.9
137.09657	4.6
137.13280	7.6
139.11186	4.4
141.09172	1.5
145.04977	3.2
145.10136	9.1
147.04416	2.3
147.08138	2.2
147.11697	18.5
149.13271	62.1
151.11191	5.5
151.14850	2.8
153.12787	2.9
154.42175	1.5
157.12294	2.2
159.02975	3.0
159.11691	8.1
161.09663	1.5
161.13281	9.9
163.11172	1.9
163.14864	13.4
165.12772	5.3
165.16385	3.8
169.12262	1.4
171.11632	2.4
173.13249	4.6
175.14836	8.5
177.12764	3.3
177.16391	7.2
179.14268	2.6
185.13208	1.4
187.14772	2.5
189.16411	7.5
191.14313	2.5
193.15952	1.4
195.13811	2.1
195.17456	4.0
199.14731	2.3
202.05145	1.6
203.17911	2.2
207.17494	1.5
209.15517	2.5
213.04092	1.8
213.16434	1.7
213.18359	1.5
217.19627	1.7
223.16945	1.9
223.19226	1.5
231.05008	4.1
235.17072	1.4
243.21187	1.7
249.18571	2.2
259.24225	10.8
261.22275	1.8
269.22620	5.6
275.23798	3.8
277.25302	12.6
279.23215	1.9
287.23666	13.1
293.24786	17.2
305.24771	100.0
323.25836	34.8
341.26843	3.0
383.26266	1.6
384.90247	1.7
395.25745	2.3
401.19540	1.4
413.26932	1.8
420.66733	1.6
431.27875	2.8
481.26721	1.4
517.28320	1.4
535.28442	2.7
563.27936	2.2
607.26501	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	607.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.9
53.13872	1.5
55.01867	4.2
55.05510	19.5
57.03438	4.9
57.07065	4.9
61.02926	3.5
67.05509	29.0
69.03431	18.9
69.07074	28.8
69.34843	7.3
69.35262	5.9
70.06614	2.0
71.04990	7.2
79.05500	20.8
81.03416	14.8
81.07061	81.8
83.04975	2.6
83.08617	12.3
85.02916	24.7
85.06522	2.0
87.00837	10.6
87.42439	2.0
91.05483	16.1
93.07045	57.6
93.07638	2.8
95.04980	5.5
95.08611	69.0
97.02903	13.8
97.06547	5.4
97.10168	15.3
99.04447	5.3
103.61518	1.8
105.01887	7.4
105.07041	27.8
107.08600	47.6
109.02890	14.5
109.06530	5.0
109.10157	49.0
111.08080	6.0
111.11717	4.9
117.07088	2.0
119.08593	24.7
121.10146	35.3
123.04450	2.8
123.08082	1.7
123.11724	23.2
125.09628	5.9
127.03930	20.4
131.08574	4.8
133.10144	26.9
135.11696	33.5
137.09628	3.9
137.13237	6.0
139.11214	4.8
143.08525	2.6
145.04939	6.6
145.10127	8.0
147.08070	2.6
147.11690	17.2
149.13268	69.0
151.11171	7.7
151.14876	2.3
153.12767	1.9
157.10139	2.7
159.02957	2.8
159.11653	11.0
161.13203	8.3
163.11150	2.8
163.14847	13.3
165.12842	4.3
165.16444	2.6
167.14299	2.4
169.12244	2.0
171.11630	2.7
175.14845	6.5
177.12737	3.5
177.16370	8.3
179.14291	2.2
181.12184	1.7
185.13364	2.5
187.06111	1.8
187.14853	3.9
189.16385	8.1
193.15985	1.8
195.17459	5.4
203.18018	2.4
209.15370	3.1
213.04044	1.8
213.16403	3.4
215.18018	2.0
223.16872	3.2
231.05115	2.0
231.21022	2.2
249.18527	2.4
256.94940	1.8
259.24292	9.2
261.22150	2.8
269.22684	6.8
275.23666	5.0
277.25208	13.4
279.23199	3.0
287.23679	10.5
293.24716	18.0
305.24756	100.0
323.25809	26.4
413.26895	2.7
431.27759	4.2
535.28577	3.6
623.30066	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	608.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10957	0.4
52.64769	0.3
52.88065	0.3
55.01860	0.8
55.05516	12.1
57.03198	0.4
57.03444	6.5
57.07079	1.7
61.08021	0.3
65.03922	1.0
67.05511	27.1
68.05029	1.8
68.05383	0.4
69.07073	16.0
69.23015	3.4
70.06595	1.2
71.04996	3.2
71.08620	0.7
72.04520	0.6
79.05074	0.6
79.05505	7.9
79.54848	0.4
81.07064	27.4
82.06555	0.8
83.04997	0.5
83.08627	6.9
85.06552	1.3
85.10175	0.5
86.72207	0.3
91.05483	5.5
93.06492	0.5
93.07052	7.7
95.04961	0.9
95.08617	19.0
96.08144	2.9
97.06540	1.7
97.10190	3.8
99.08081	0.6
100.03960	0.8
103.16994	0.3
105.07043	3.4
107.08607	4.2
109.10166	8.4
110.09666	1.8
111.08076	0.7
111.11734	0.5
113.06030	1.9
114.05540	2.0
114.09188	5.9
119.08607	3.0
121.10147	3.1
123.11723	2.7
125.09634	0.4
133.10143	3.0
135.11697	1.8
137.09644	0.6
137.13271	1.1
138.09154	1.3
147.11714	1.6
149.13376	0.3
156.10208	8.1
160.11253	0.5
160.60548	0.4
161.13269	1.3
163.14879	0.4
174.07765	2.0
174.11273	25.7
175.14842	0.9
184.07326	0.5
212.06779	0.8
227.50363	0.4
254.07993	0.8
258.08902	0.5
263.23804	1.2
266.76895	0.3
272.08954	31.1
337.27390	100.0
338.27676	0.6
608.26208	0.9
609.26782	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97670	0.5
52.11419	0.4
53.03931	0.6
55.05272	0.7
55.05515	11.1
57.03194	0.6
57.03444	7.4
57.07071	1.5
57.44098	0.5
65.03935	1.2
67.05508	25.3
68.05031	1.0
69.03410	0.5
69.07070	14.8
70.02949	0.5
70.06589	4.8
71.04983	1.0
71.08617	0.9
71.53661	0.6
79.05494	6.7
80.05021	1.8
81.07059	26.0
82.06575	1.9
83.04999	0.8
83.08621	7.5
84.04472	1.0
84.08141	0.5
85.06505	0.8
86.06055	0.6
86.09713	0.7
91.05487	3.5
93.07043	7.8
95.04967	1.1
95.08607	18.5
97.06530	2.3
97.10177	3.9
98.06062	10.3
105.07047	4.1
107.08582	3.6
109.06525	0.5
109.10160	6.9
110.09735	0.5
111.08118	0.5
112.07601	2.0
113.08393	1.1
114.09142	0.9
117.07013	0.9
119.08609	2.8
121.10143	2.9
123.08017	0.6
123.11713	2.2
125.09588	0.6
128.07091	0.8
133.10143	3.7
135.11707	2.3
137.13271	1.2
145.10147	0.9
147.11664	1.5
149.13260	0.8
156.10188	2.1
161.13237	1.0
163.11172	0.7
163.14874	0.8
168.04228	1.0
174.11263	6.6
175.14903	0.7
176.10777	1.2
182.00757	0.5
182.02222	0.7
196.03726	3.4
227.12762	1.1
235.47200	0.5
263.23831	0.8
270.07214	0.6
272.08960	28.5
283.15448	0.8
291.19647	0.8
337.27368	100.0
337.94333	0.5
338.27655	0.7
472.29700	0.5
514.29175	0.6
573.34113	0.9
608.25964	1.9
608.34924	1.4
608.43689	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0347
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77639	1.2
67.30949	1.5
71.50606	2.0
93.25471	1.2
130.00476	1.7
131.31523	1.2
134.49257	1.3
216.98990	2.2
234.99969	3.2
240.98978	5.4
259.00052	22.4
259.49649	1.6
260.00101	2.4
264.99042	3.8
277.01099	15.1
278.01285	1.4
283.00006	99.3
284.00116	5.4
284.99838	2.3
301.01062	100.0
302.01105	5.8
303.00769	2.3
316.95798	5.0
319.02066	3.1
324.02786	2.6
356.97336	2.1
357.97266	1.5
358.96567	6.6
383.00436	2.1
389.32352	1.7
396.94788	1.4
398.94827	5.3
400.96860	2.3
401.02020	6.5
407.00217	6.1
425.01178	37.4
426.01605	2.4
438.95856	1.6
440.96112	5.0
443.02359	65.5
444.02231	6.3
445.02121	3.9
458.97089	2.5
482.97144	3.4
485.00955	2.0
499.98602	1.6
500.98108	11.6
524.98090	5.0
542.99329	9.6
549.01306	53.7
550.01361	2.5
567.02386	74.7
568.02368	3.9
585.00446	1.8
590.03748	4.0
609.00244	34.8
627.01361	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	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.01884	0.2
55.05521	0.9
67.05505	1.9
69.03429	0.2
69.07061	0.8
71.24110	0.3
73.36929	0.2
79.05493	1.4
81.07062	1.8
83.08613	0.5
91.05499	1.3
93.07039	1.5
95.08603	1.3
97.10150	0.3
105.07029	1.7
107.08606	0.9
109.10169	0.5
114.46630	0.2
117.07032	0.7
119.08567	1.1
121.10146	0.5
126.60271	0.2
128.06213	0.3
129.06998	0.6
131.08560	0.9
132.08128	0.2
133.10144	0.7
135.11726	0.4
141.07002	0.2
142.07872	0.2
143.08600	0.7
145.10156	0.9
147.11720	0.5
155.08586	0.4
157.10136	0.5
159.11749	0.7
167.08519	0.2
169.10152	0.6
171.10464	0.2
171.11743	0.8
173.13304	0.6
181.10185	0.4
183.11757	0.8
185.13309	0.4
187.14839	0.3
195.11739	0.4
197.13297	0.4
199.14900	0.3
209.10722	0.5
209.13303	0.3
211.12538	0.2
211.14912	0.3
221.10831	0.3
221.97202	0.2
222.11537	0.2
223.12309	0.3
223.14951	0.2
224.13170	0.4
225.13882	0.4
235.12384	0.3
237.13878	0.5
237.16400	0.3
238.14542	0.3
239.15562	0.3
249.13965	0.3
251.15437	0.5
265.19537	0.2
275.20206	0.2
283.20761	0.3
291.19440	0.2
313.15720	0.2
345.47684	0.2
361.15341	0.3
375.16721	0.4
376.17068	0.9
377.17780	0.7
377.83926	0.2
378.19073	0.3
379.19394	0.2
387.16360	0.3
388.18066	0.3
389.18506	1.1
390.18723	0.8
391.19339	1.8
392.20044	1.5
393.21167	0.2
400.17078	0.5
401.17633	0.7
402.18951	0.4
403.19812	1.0
404.20627	1.0
405.20911	3.1
406.21515	2.2
407.22336	3.1
413.17688	0.6
414.18430	0.6
415.19263	1.8
416.20288	0.4
417.16583	0.3
417.21329	0.5
418.17432	0.3
418.22198	0.4
419.18469	0.9
419.22461	1.2
420.23172	0.6
421.23996	4.3
422.24542	0.6
427.19324	0.5
428.20071	0.4
429.20880	2.1
430.22128	1.2
431.18640	0.8
431.23029	0.5
432.19470	0.8
433.20166	1.9
433.24844	0.6
434.25415	0.3
435.21802	0.3
438.20538	0.3
442.21716	0.6
443.22675	0.5
444.23688	0.9
445.20480	1.4
446.21048	0.7
447.17349	2.6
448.18640	0.6
449.23438	0.7
452.22177	0.6
455.18719	0.2
456.19656	0.3
457.24567	1.4
458.25339	0.3
459.22366	1.9
460.23572	1.6
461.19223	5.9
462.20163	2.3
463.20847	1.3
465.22986	0.3
470.21771	0.3
471.17551	0.4
472.23001	0.9
473.20047	0.9
474.20264	1.2
475.21170	8.7
476.21756	5.7
477.22501	4.6
478.23779	0.9
479.24457	0.6
484.19064	0.5
485.23611	5.9
486.20215	2.4
487.20053	1.0
487.25455	0.5
488.22299	1.3
489.22922	5.2
490.19733	0.4
493.22330	0.8
493.26880	0.3
494.26752	0.8
497.23441	0.6
499.21228	4.1
500.22278	1.4
501.23279	0.3
502.24268	0.4
503.24564	6.5
504.21664	0.7
504.25281	0.7
505.22449	0.5
507.24216	1.0
513.23022	1.4
514.23718	0.4
515.24420	6.4
517.22382	2.0
517.40161	0.5
518.23297	0.8
521.26123	3.3
526.26154	0.3
531.23944	9.6
532.24518	0.3
533.25385	0.4
535.23529	0.7
535.41400	0.2
541.22394	0.7
548.24316	0.3
549.24921	2.4
550.25702	5.4
559.23456	4.9
563.26569	1.3
577.24341	1.7
591.26031	11.1
609.27057	100.0
609.44934	6.4
610.27130	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2704
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
69.17256	3.0
69.17667	0.9
82.88762	0.4
94.43703	0.4
102.71428	0.4
117.75449	0.3
152.53207	0.4
223.12350	0.6
239.15288	0.4
344.97806	0.4
389.17923	0.9
390.18625	0.6
391.19220	1.5
392.20062	1.5
400.16705	0.5
401.17285	0.6
403.19373	0.4
404.20505	0.9
405.20776	2.8
406.21530	1.8
407.22278	2.7
415.19290	1.7
416.20328	0.7
417.21414	0.6
419.22522	1.1
420.23212	0.9
421.23914	2.6
422.24377	0.5
427.19293	1.0
428.20056	0.5
429.20871	2.6
430.21826	1.2
431.22559	0.8
432.19263	0.5
433.20389	1.5
442.21713	0.6
443.22559	1.1
444.23361	0.9
445.20190	0.8
446.21176	0.6
447.18332	1.5
449.23672	0.9
457.24146	1.7
458.24979	0.4
459.21814	2.1
460.22626	1.3
461.19260	4.7
462.20551	1.4
463.21448	1.0
470.21457	0.5
472.22714	1.4
474.20670	1.1
475.21066	6.7
476.21857	5.1
477.22540	3.4
478.23761	0.7
479.24448	0.5
485.23560	8.8
486.20325	3.1
487.25757	0.7
488.21838	0.9
489.23013	3.5
493.22308	1.1
494.26840	1.0
497.23862	1.0
499.21423	2.1
500.22305	1.4
502.24228	0.5
503.24475	4.0
504.25607	0.9
513.23096	1.3
515.24432	8.0
517.22418	0.9
518.22748	0.5
521.26038	3.1
524.24744	0.4
531.23938	15.0
532.24426	0.6
535.23163	0.8
541.22308	0.7
548.24152	0.6
549.24707	2.3
550.25702	4.4
559.23389	6.4
577.24683	1.0
591.26044	29.2
609.27069	100.0
610.27411	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2708
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
52.89124	0.4
53.03956	0.4
55.01875	0.5
55.05511	1.8
57.03418	0.4
61.21056	0.4
67.05505	4.7
69.07072	2.0
69.77427	0.4
79.05502	3.4
81.07062	4.0
83.08616	1.0
91.05492	2.6
93.07045	2.8
95.08598	3.4
97.10155	0.6
98.21513	1.4
105.07055	3.2
107.08611	2.3
109.10162	1.6
117.07030	1.3
119.08591	2.4
121.10207	0.8
122.04118	0.4
129.06996	0.9
131.08598	2.0
133.10147	1.6
135.11745	0.5
141.06946	0.5
143.08557	1.2
145.10144	2.5
147.11720	0.8
149.13203	0.4
155.08592	1.0
156.09373	0.4
157.10144	1.3
159.11707	1.9
161.13307	0.7
169.10126	1.4
171.11694	1.0
173.13306	0.9
181.10139	0.7
183.11732	0.9
185.13255	0.9
192.10773	0.4
197.13335	0.8
211.14781	0.5
213.16409	0.4
229.52805	0.5
239.18056	0.7
257.19073	1.0
281.16531	0.5
405.20862	1.5
415.19370	1.2
416.20108	0.6
417.16306	0.5
417.21375	0.7
418.17352	0.7
419.22577	1.2
428.19858	0.5
429.21173	3.0
430.21451	0.5
431.18399	0.7
432.19464	0.7
433.19592	0.8
433.24286	1.4
443.22522	1.6
444.23206	1.5
445.24768	0.8
447.22333	2.7
448.22592	1.0
449.23618	0.9
457.19958	0.9
459.21210	3.5
460.22754	2.1
461.19281	1.9
461.23691	2.2
462.20605	2.0
463.21313	0.7
468.37918	0.6
472.22720	2.0
473.23624	0.6
475.21246	1.4
476.21936	2.9
477.22696	2.4
485.23441	1.2
487.25464	2.1
489.22852	1.5
491.20544	0.6
492.25696	0.5
503.24454	1.5
505.26117	0.8
507.24536	0.5
519.24066	2.0
521.21515	2.5
531.23975	22.0
532.24658	1.3
534.22815	0.6
536.23785	0.5
549.24921	13.4
563.26434	0.9
577.23364	0.8
581.27429	0.6
591.26416	3.0
591.43848	0.9
608.43890	1.2
609.27051	100.0
609.44849	10.4
610.27374	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2709
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05498	0.9
57.03428	0.3
67.05507	2.0
69.07061	0.9
69.78133	1.2
79.05491	1.5
81.07058	1.9
83.08622	0.6
91.05477	1.5
93.07038	1.3
95.08607	1.3
105.07027	1.3
107.08593	1.0
109.10155	0.7
117.07037	0.8
119.08595	1.0
121.10165	0.5
128.06288	0.3
129.07019	1.0
131.08548	0.8
133.10144	1.1
135.11674	0.5
141.07040	0.4
141.10199	0.3
142.07826	0.3
143.08569	0.8
145.10139	0.7
147.11694	0.5
149.09695	0.3
155.08588	0.5
157.10158	0.7
159.11699	0.7
161.13370	0.4
169.10133	0.5
171.11722	0.6
173.13286	0.3
176.95093	0.2
181.10114	0.4
183.11749	0.6
185.13240	0.3
195.11751	0.4
197.13362	0.4
199.14769	0.3
209.13350	0.4
210.11565	0.3
238.14780	0.3
239.17987	0.4
253.70410	0.2
264.53079	0.2
275.20105	0.5
324.14810	0.3
377.17902	0.4
387.15933	0.4
389.17752	0.7
390.18466	0.4
391.19254	1.0
392.19867	0.3
393.21280	0.3
401.17706	0.6
402.18289	0.7
403.19562	1.7
404.20358	0.5
405.21228	1.7
406.21548	0.5
407.22330	1.3
414.18365	0.4
415.19272	0.7
416.20474	0.3
417.17081	1.0
417.21054	1.1
418.17517	0.6
418.22195	0.5
419.17700	0.5
419.22855	2.5
420.23059	0.7
429.16403	0.3
429.21353	0.3
430.17447	1.4
431.18082	2.1
432.19516	1.0
433.14767	0.5
433.20224	6.4
433.25510	0.4
434.20999	0.8
435.21945	0.7
443.18726	1.0
444.19086	1.4
445.19965	3.2
446.21307	2.3
447.21936	3.2
448.23059	1.2
449.23755	0.4
457.19833	0.3
458.20978	4.8
459.21716	4.2
460.22760	3.2
461.19269	0.6
463.20917	1.9
465.22964	0.4
473.23520	0.9
475.20511	1.1
476.22079	1.0
477.23044	1.2
478.23752	0.5
489.23019	0.5
490.23444	0.5
491.21060	0.8
493.25961	0.3
503.24268	1.0
505.22327	0.5
513.22717	0.4
516.21210	0.4
517.22461	1.0
517.40265	0.5
518.23059	3.3
519.23914	8.6
520.24731	0.5
521.22284	1.4
521.25079	1.3
531.24036	1.6
532.24615	0.8
548.24640	0.3
549.24829	3.9
550.25482	0.4
551.27094	0.3
559.23547	0.4
563.26233	0.8
576.23218	0.4
591.26044	11.8
591.44366	0.6
592.26617	0.4
609.27051	100.0
609.44922	6.9
610.27765	1.1
637.11914	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2711
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03920	0.6
55.05517	3.1
57.03429	1.2
65.03950	0.5
67.05511	7.4
69.07070	2.8
71.53658	0.7
79.05503	5.2
81.07056	5.7
83.04964	0.8
83.08627	1.5
90.46684	0.6
91.05498	6.0
93.07061	4.8
95.04979	1.5
95.08617	4.8
97.06528	0.9
105.07030	4.7
107.08610	2.6
109.06533	0.8
109.10159	1.5
117.07037	2.0
119.08601	3.0
121.10162	1.6
123.08105	0.6
128.06187	0.7
129.07034	2.1
131.08597	2.1
133.10158	2.6
135.11664	1.1
143.08582	2.0
145.10104	2.8
147.11691	2.1
149.09644	0.6
154.19839	0.5
155.08603	1.7
157.10133	1.4
159.11748	1.7
161.13220	1.1
167.08585	1.3
169.10117	2.8
171.11705	2.0
173.13310	1.2
180.79675	0.6
181.10153	1.0
183.11761	2.1
185.13283	1.4
195.11780	1.2
197.13354	1.2
209.13235	1.0
211.12518	0.8
211.14822	1.1
223.14835	1.1
225.16451	0.9
227.28888	0.7
251.11906	0.9
273.11276	1.1
275.20175	0.7
276.20572	0.5
281.17511	1.6
282.17923	1.0
310.75934	0.7
376.71841	0.6
391.19302	1.9
402.18790	0.6
405.16461	0.9
405.20898	1.7
406.21469	0.7
407.22739	1.2
418.17630	0.9
419.17728	2.8
419.23105	1.1
421.24249	1.5
429.17572	1.1
430.17706	0.7
432.19525	1.2
433.20328	3.8
434.21350	1.0
435.22171	1.4
443.18661	0.8
445.20355	2.0
446.21359	1.3
447.22726	3.9
448.22586	1.8
449.23273	3.5
450.23926	0.7
459.21823	1.2
461.19919	2.4
463.21375	2.1
475.21579	2.3
475.30707	0.8
476.22168	5.8
476.30981	2.0
477.22760	3.3
479.22122	0.7
489.22910	1.3
490.24222	0.6
491.20123	0.6
493.22253	1.2
503.24615	1.1
517.40546	2.3
519.23755	3.5
521.22229	2.9
531.23779	1.6
535.41217	0.9
549.24969	16.0
563.25568	0.7
581.27576	0.7
591.26282	1.7
591.43903	1.8
608.44513	0.8
609.27100	100.0
609.44153	16.0
610.27307	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	609.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
53.26629	1.7
55.05515	8.3
57.03443	7.7
61.02931	15.2
67.05508	14.5
69.03440	9.5
69.07076	4.7
69.32526	3.5
69.32926	12.2
71.05006	3.6
73.02925	4.0
75.08347	1.9
79.05502	13.0
81.03427	78.0
81.07066	14.8
83.04996	8.2
83.08621	18.4
85.02910	26.4
91.03989	10.5
91.05474	14.5
93.07053	10.0
95.04987	24.7
95.08624	3.8
97.02905	17.3
97.06530	3.9
99.04468	5.1
105.07034	12.6
107.04963	7.6
107.08599	3.8
109.02884	6.1
109.06545	4.2
111.04453	3.7
111.08100	8.5
119.08604	10.6
121.06517	2.1
121.10137	6.5
123.04419	3.4
125.09638	3.1
127.03917	8.6
129.05511	3.6
129.07048	9.8
131.08591	7.1
133.10162	8.4
145.05003	6.9
145.23950	1.9
147.04420	3.4
147.08072	3.4
147.11703	11.8
149.09598	4.5
157.10173	11.3
163.03963	2.3
163.06012	3.4
163.11264	2.5
169.83411	2.1
171.09474	2.2
171.11694	2.1
175.11186	14.1
175.14830	6.3
176.15202	5.9
183.06520	3.1
193.12279	65.1
211.13306	31.2
235.13329	4.3
249.14981	2.2
267.15918	37.5
273.14871	3.1
285.16989	100.0
301.14307	5.9
309.16888	16.1
319.63477	2.0
351.18207	2.8
363.18301	3.9
375.18030	5.1
393.19058	7.4
411.20294	4.7
429.21167	19.4
591.25458	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	609.2757
Annotation	Confertoside
Peak:m/z	Relative Intensity
53.03936	3.7
55.01867	3.7
55.05511	8.2
57.03438	14.2
61.02928	36.0
65.03918	1.4
67.05508	12.5
69.03429	20.3
69.07078	3.5
69.15562	3.5
69.15976	7.7
71.01372	2.1
71.04990	4.9
73.02634	1.0
73.02930	10.9
78.44036	1.0
79.05494	13.8
81.03424	53.7
81.07050	14.9
83.04993	11.8
83.08623	16.2
85.02908	55.3
87.04473	2.1
91.03959	23.7
91.05482	21.6
93.07041	10.2
95.04974	15.9
95.08613	5.4
95.87431	1.4
97.02898	40.2
97.03528	2.0
97.06546	3.3
97.10174	2.6
98.21520	2.9
99.04464	5.4
101.02396	2.8
103.03963	4.3
105.07035	14.4
107.04959	4.7
107.08603	5.2
109.02869	8.9
109.06525	4.3
109.10148	2.2
110.12939	1.2
111.04470	4.3
111.08099	7.7
113.06041	1.7
115.03918	3.3
117.05528	1.4
119.08568	12.5
121.10158	4.1
122.58677	1.2
123.08054	2.6
123.11742	1.7
125.09659	1.2
127.03923	15.5
127.07654	1.5
129.07021	8.5
131.08556	8.7
133.06464	2.7
133.10139	11.2
137.09639	2.0
138.56995	1.4
142.07780	3.5
145.04958	7.5
145.10063	1.2
147.08009	2.2
147.11702	14.2
149.09613	4.2
157.10161	10.3
159.06607	1.7
163.05984	3.6
163.11208	2.5
165.12759	3.5
173.04404	1.1
175.11208	13.4
179.85719	1.1
183.06587	4.6
192.57375	1.1
193.12251	54.0
201.07611	3.0
211.13303	76.9
229.14482	2.2
235.13188	1.4
249.14827	2.7
267.08725	1.8
267.15933	22.7
285.16977	100.0
301.14264	1.3
309.16922	4.1
313.16562	2.0
337.16440	2.1
351.18097	1.5
355.17694	2.4
375.18039	2.6
393.19125	5.2
411.19968	9.0
426.23572	1.3
429.21164	24.3
430.14499	1.5
447.22351	1.8
568.03796	1.2
591.27234	1.3
609.20807	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.1
55.01874	4.6
55.05516	14.7
57.03434	4.6
57.07075	6.5
57.70269	1.9
61.02919	2.8
64.72283	1.9
65.03938	2.6
67.05510	27.8
69.03440	11.0
69.07071	32.8
69.18047	10.9
69.18475	10.6
73.64202	2.0
79.05491	12.7
81.03417	9.3
81.06597	4.9
81.07060	82.6
83.08623	15.4
85.02909	18.8
85.06554	5.7
87.00827	8.9
91.05496	8.6
93.07053	18.1
95.04941	3.4
95.08616	100.0
97.02901	10.4
97.06537	6.1
97.10178	17.1
98.98468	3.2
99.04461	2.6
99.08089	4.7
100.11265	3.3
105.01864	9.9
105.07046	13.1
107.08601	21.2
109.02875	7.2
109.10161	49.1
111.08073	6.8
111.11722	13.3
119.08573	9.5
121.10169	14.0
123.11728	26.5
125.09613	4.5
125.13235	2.9
127.03918	13.9
129.09224	2.1
131.08618	3.0
133.10118	8.9
135.11664	10.9
137.13229	11.9
139.11168	6.6
143.10623	2.5
145.04936	6.4
145.10089	3.5
147.04436	2.6
147.11662	7.1
149.13257	7.8
151.11211	2.8
151.14824	28.6
153.12794	2.4
157.12242	5.2
159.11685	4.4
161.13266	6.5
163.11195	3.2
163.14874	4.5
165.12781	3.1
165.16414	5.6
169.12285	2.1
170.10788	2.3
171.13867	3.9
175.14754	5.8
177.12930	3.3
177.16380	3.7
179.14317	7.4
183.13802	2.2
189.16396	3.2
189.94412	2.6
191.17990	2.5
193.15958	4.0
197.15366	5.3
201.16428	2.0
207.17570	3.0
215.18008	5.0
219.17642	2.6
230.06032	2.2
231.04890	3.3
233.19078	4.9
237.18594	3.9
251.20105	4.7
271.24191	6.4
289.25284	21.9
295.26349	3.2
307.26324	57.7
317.83954	2.5
325.27344	10.1
331.26343	2.9
343.28470	4.0
349.23773	8.2
397.27567	4.0
415.28220	5.4
519.29053	3.4
541.26740	4.9
609.26990	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	609.413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89618	0.5
52.76529	0.5
55.05510	3.2
65.03902	0.6
67.05509	7.2
69.07076	3.6
70.49206	0.5
79.05502	5.4
81.07067	7.3
83.08586	1.4
88.39906	0.6
91.05472	5.5
93.07048	6.2
95.08606	5.8
97.06513	1.0
97.10151	1.0
98.21465	1.3
103.05407	0.8
105.07040	4.0
106.25651	0.5
107.08620	3.8
109.10149	3.0
117.07009	2.5
117.07751	0.6
119.01028	2.0
119.08597	5.3
121.10107	2.4
123.11707	0.6
129.06956	2.4
131.08562	4.5
133.10078	2.3
135.11674	1.7
139.47197	0.5
143.08578	3.0
145.10133	4.0
147.07936	0.6
147.11655	2.0
155.08485	2.4
157.10172	3.3
159.11743	3.4
161.13223	1.3
169.10101	2.5
171.11708	2.6
173.13266	1.4
181.10086	1.0
183.11623	1.7
185.13181	1.7
195.11623	1.8
197.13206	1.7
199.14824	0.8
209.13245	1.3
213.16447	0.9
223.14824	0.9
225.16362	1.2
227.17911	0.9
235.14734	0.8
237.16255	0.7
239.17795	0.7
249.16496	0.6
259.20569	0.8
262.11768	1.5
275.19885	1.0
277.21527	0.9
315.23322	0.9
331.18680	2.1
335.59674	0.6
389.42450	0.7
458.93344	0.6
485.22845	0.8
517.39935	1.5
535.41064	0.8
539.38330	0.7
591.25549	1.0
591.43048	1.8
609.25824	2.8
609.40967	100.0
610.41412	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4516
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03942	1.2
55.01871	1.2
55.05514	11.3
57.03442	2.8
57.07079	1.8
59.05024	0.4
65.03936	1.2
67.05506	19.2
69.03419	0.6
69.07072	9.4
70.17039	0.2
71.04994	1.2
76.34564	0.3
79.05495	12.5
81.07059	20.4
83.04974	1.1
83.08621	5.6
85.06555	1.0
91.04900	0.5
91.05480	11.0
93.07047	14.0
95.04977	1.3
95.08609	17.5
97.06550	1.8
97.10168	2.9
99.08105	0.7
103.05491	0.3
105.04536	0.3
105.06314	0.5
105.06468	0.2
105.07034	11.8
107.08599	9.8
109.06521	0.7
109.10159	6.8
111.08102	1.1
115.05460	0.9
117.07019	7.0
119.08588	12.1
121.10144	7.0
123.08072	1.0
123.11718	2.3
125.09640	1.1
128.06230	2.5
129.05527	0.5
129.07004	8.8
129.07925	0.5
130.07791	0.6
131.08566	10.5
131.09534	0.5
133.10138	8.6
135.11707	3.5
137.09692	0.3
137.13277	1.1
141.06992	4.5
142.07776	2.3
143.08560	12.0
143.60876	0.3
144.09372	0.6
145.10129	12.0
147.11688	5.7
149.09644	0.5
149.13254	2.3
151.14841	0.3
153.07010	1.1
154.07813	1.2
155.07281	0.4
155.07489	0.2
155.08563	10.3
156.09335	1.5
157.10136	12.0
159.11699	7.9
161.13251	3.0
163.14859	0.8
165.06960	1.3
166.07823	0.7
167.08571	4.1
168.09294	1.4
169.10130	13.7
170.10948	0.8
171.11691	11.2
173.13243	5.5
175.14853	2.0
177.12799	0.3
177.16428	0.6
178.07907	0.3
179.08559	1.5
180.09389	1.1
181.10135	6.9
182.10915	1.0
183.11691	13.2
184.12497	0.5
185.13266	8.0
185.14868	0.5
187.14818	3.3
189.16400	1.2
191.08580	0.4
192.09409	0.4
193.10168	2.4
194.10933	0.5
195.11700	8.4
195.13425	0.5
196.12576	0.8
197.13271	9.5
199.11458	0.3
199.13237	0.4
199.14818	5.2
201.12708	0.3
201.16455	1.5
203.17952	0.4
205.10165	0.7
207.11739	2.3
208.12457	0.6
209.13271	7.0
210.14046	0.4
211.14830	6.3
213.12933	0.5
213.14650	0.4
213.16423	4.2
215.17958	1.0
219.11746	1.1
220.12500	0.3
221.13251	2.7
222.14000	0.4
223.14803	4.8
225.16393	4.1
225.18456	0.3
227.14458	0.4
227.18069	2.6
229.19504	0.5
231.11566	0.4
233.13286	0.9
235.14767	2.1
237.16389	4.0
237.18582	0.4
239.17957	2.5
241.15854	0.3
241.19865	1.6
247.14888	0.8
249.16435	1.4
249.18648	0.3
250.26460	0.3
251.17926	2.2
253.15775	0.5
253.19769	1.6
255.21225	0.7
257.19031	0.8
259.14737	0.3
261.16464	0.9
263.17969	1.0
265.19458	1.6
267.21262	0.8
269.18866	0.5
271.20523	0.5
275.17712	0.4
275.20328	0.5
277.19556	0.7
279.21185	0.8
281.22864	0.5
283.20615	0.6
285.18674	0.3
285.22281	0.4
291.21320	0.4
293.22736	0.4
295.20505	0.5
295.24188	0.5
297.22137	0.8
299.23697	0.4
305.22363	0.3
307.20496	0.6
309.22311	0.9
311.20206	0.5
311.23694	0.7
313.21686	0.6
313.25232	0.4
315.23065	0.4
319.24307	0.3
321.22156	1.0
323.23691	1.5
325.21658	0.4
325.25192	0.6
327.23297	0.8
327.26910	0.4
329.24985	0.3
333.21991	0.3
335.23819	0.9
337.25119	1.5
339.23151	0.6
339.26932	0.7
341.24915	0.3
345.24796	0.3
347.23541	0.4
349.25311	1.1
351.23160	0.4
351.26984	1.5
353.24686	0.7
353.28436	0.4
355.26392	0.5
363.26846	0.9
365.24518	0.5
365.28482	1.2
367.26227	0.4
375.26556	0.4
377.28448	1.0
379.25955	0.6
379.30121	1.0
381.27924	0.6
383.29822	0.4
389.28143	0.4
391.29944	1.0
393.27432	0.7
393.31686	0.9
395.29498	0.5
403.29749	0.5
405.31583	1.0
407.28998	0.5
409.31226	0.7
415.30191	0.5
421.30960	0.7
423.32578	0.3
429.31329	0.5
431.33084	0.4
433.30722	0.4
435.32214	0.4
437.34122	0.4
439.32715	0.4
443.32993	0.4
447.32452	1.6
449.34085	0.8
459.31812	0.4
461.34113	0.8
473.32761	0.5
475.35077	0.8
476.21338	0.4
483.35217	0.4
487.34354	0.5
489.41385	0.4
499.39764	1.8
501.35953	0.7
513.36407	0.6
515.37909	0.4
517.40503	11.4
521.24719	0.4
521.36383	0.5
523.38000	0.5
525.35669	0.7
535.41589	5.7
539.37286	1.5
540.38141	0.6
541.38544	0.6
551.41132	0.5
553.42023	0.9
555.41809	0.4
573.43262	1.5
591.44086	15.4
609.26135	4.0
609.45129	100.0
610.45349	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	609.4514
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03940	2.0
55.01867	1.1
55.05516	12.5
57.03441	4.4
57.07091	1.4
65.19085	0.8
66.91245	0.7
67.05511	25.8
69.07074	13.1
71.05017	1.1
71.08633	0.7
79.05497	16.6
81.07060	25.0
81.07536	1.4
83.05012	1.3
83.08615	6.0
91.05485	15.4
93.07049	17.6
95.04967	1.0
95.08611	19.1
95.09174	1.4
97.06535	1.8
97.10181	3.0
99.08094	0.9
100.41491	0.8
105.07038	16.2
107.08602	12.6
109.06563	0.9
109.10165	8.7
111.08088	1.0
117.07020	8.9
119.08579	14.3
119.09357	1.0
121.10143	9.1
123.08163	1.1
123.11719	2.1
125.09658	0.8
128.06230	3.0
129.07008	10.2
130.07866	1.0
131.08583	13.2
133.10139	11.1
135.08246	1.0
135.11690	5.0
141.07048	3.7
142.07845	3.2
143.08565	13.9
144.09444	0.7
145.10141	14.7
147.11705	5.7
149.09645	0.9
149.13272	2.5
153.07056	0.9
154.07819	1.1
155.08571	9.4
156.09375	1.1
157.10133	13.7
159.11688	10.4
161.13283	5.1
165.07080	1.2
167.08563	5.9
168.09416	1.2
169.10141	12.6
171.11682	12.1
173.13289	5.5
175.14882	2.2
178.82684	0.9
179.08525	1.1
180.09349	1.1
181.10162	8.2
182.10947	1.7
183.10152	0.6
183.11714	13.1
185.13290	8.0
187.14853	3.2
193.10126	1.9
195.11667	5.9
196.12445	1.1
197.13264	8.2
199.14824	5.6
201.16422	1.9
203.17949	1.1
207.11769	2.2
209.13284	8.1
211.14822	6.7
213.16353	3.5
221.13351	2.3
223.14761	3.6
225.16405	4.6
227.18063	1.2
235.14932	2.8
237.16443	3.8
239.18031	2.1
241.19737	1.8
249.16406	2.3
251.18030	2.2
253.19644	1.7
257.19141	1.2
265.19690	1.7
271.20538	1.2
275.20178	1.5
277.19589	1.0
279.21124	1.8
285.22098	1.1
297.18750	0.9
297.22244	1.5
309.22165	1.0
311.23749	1.0
321.22156	1.1
323.23599	1.3
335.23807	1.1
339.22937	1.0
349.25171	1.3
351.26968	1.8
363.26740	1.3
365.28680	1.7
369.28033	1.0
377.28476	1.0
379.30139	1.0
391.29977	1.0
393.32071	0.9
447.32440	1.7
465.33438	1.0
499.39871	1.2
501.36017	1.4
517.40399	8.6
535.41492	5.4
591.44098	9.0
609.45160	100.0
610.45123	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	610.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47353	2.2
55.05534	2.2
67.05521	4.0
71.06530	2.4
71.52830	2.4
73.04763	48.8
75.02685	2.7
79.05505	4.2
81.07033	6.4
84.39653	2.2
84.68459	2.3
84.73754	2.7
91.05814	72.2
93.07027	4.8
95.08595	5.6
105.07039	4.9
107.08585	5.1
114.07384	16.6
119.08569	2.5
141.27005	3.2
145.10059	4.6
148.40616	2.3
149.04510	6.5
167.05583	27.3
176.89091	2.4
221.08479	5.9
225.04233	5.6
239.09494	35.4
266.99927	9.0
268.97873	11.5
283.03113	4.7
285.00964	39.1
298.29965	2.5
299.06146	36.8
344.97507	6.3
355.07016	100.0
365.50095	2.5
371.10031	3.4
373.07944	7.6
402.96088	2.7
415.03467	7.9
418.99506	10.2
461.00842	2.8
609.44299	4.8
610.18542	3.3
610.27838	4.9
639.54926	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	610.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18660	0.9
53.03946	0.8
55.01865	1.4
55.05508	1.0
67.05499	2.9
69.03429	1.5
69.07056	1.8
71.52544	0.9
79.05503	7.2
80.05020	1.9
81.03408	1.1
81.07072	4.0
82.07361	0.8
83.04998	0.8
84.04540	0.8
85.02910	1.7
86.09712	0.9
87.00802	0.8
91.05452	4.5
93.07049	8.9
94.06566	3.3
95.04963	1.6
95.08611	2.6
96.08140	1.1
97.02882	1.2
97.06532	1.6
100.11272	1.9
103.05464	8.2
105.01857	0.9
105.05791	1.7
105.06992	1.2
107.08591	2.0
108.08134	8.2
109.10157	1.3
110.09679	2.8
110.95138	0.8
111.11829	0.8
118.06543	2.8
119.07352	2.0
119.08570	1.4
120.08112	35.7
121.10136	1.6
122.06036	3.4
123.11671	0.9
127.03952	1.6
131.08534	0.9
133.10135	1.2
136.07573	12.2
138.05516	1.2
138.09142	3.5
146.06030	1.5
147.11646	0.8
148.07578	100.0
152.07089	1.1
159.11699	1.0
163.03970	1.0
164.07082	1.9
165.86919	0.7
166.08650	7.0
198.07816	0.9
199.08604	1.5
208.09695	2.2
209.10680	1.4
210.14952	1.3
211.08615	4.6
212.09274	0.9
213.10283	1.8
215.62276	0.7
222.07767	1.4
223.08504	3.7
224.09317	2.1
225.10205	5.5
227.08136	3.7
227.11740	1.1
235.08650	1.4
237.10246	22.0
238.11000	2.7
239.08121	9.7
239.11754	4.9
240.08792	2.2
241.09686	5.8
244.03542	0.8
247.08734	1.4
248.09293	0.9
249.10239	1.5
251.08192	5.9
252.08687	24.0
253.09727	12.7
255.11385	4.2
265.09738	35.2
266.06897	1.5
266.10443	3.5
267.07654	4.1
267.11295	9.2
269.09207	3.1
275.08090	0.9
277.09744	2.0
279.07492	1.7
279.11383	1.4
281.09195	20.9
283.10764	10.7
287.10254	2.6
293.09207	24.8
295.10806	15.4
299.10245	3.6
301.11868	1.1
302.12823	0.9
307.10687	1.6
309.08621	3.1
309.12024	1.4
311.10284	22.7
311.15805	0.9
314.12955	1.0
315.13358	1.0
321.08725	13.3
323.10315	0.9
325.11768	1.3
327.09763	15.4
327.13281	1.5
330.12225	1.4
331.13245	1.1
335.10159	1.8
339.09756	53.4
341.11453	3.5
343.13144	1.2
344.13934	2.0
353.11462	7.0
356.13956	1.5
357.14767	2.1
358.15533	2.3
359.08078	1.3
359.12396	19.7
371.12399	38.0
372.13101	1.6
382.29303	0.9
384.13458	2.6
385.14166	2.2
386.15121	1.1
400.16824	4.9
418.17758	1.7
428.16190	4.5
430.17746	0.8
446.17221	8.0
474.10327	1.5
474.16605	18.6
478.19769	3.2
488.18204	2.1
492.17679	7.1
506.19305	14.5
524.20416	3.1
532.17560	2.3
534.18768	16.2
548.20508	1.1
550.18323	8.3
560.16608	3.3
566.21198	10.9
578.17706	70.2
592.19092	2.7
610.20184	9.6
610.29108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.9
55.05519	3.0
57.03422	3.6
60.37732	2.9
65.03954	2.8
67.05499	10.2
69.03441	16.6
69.07061	8.9
69.44975	6.1
69.45372	19.9
71.04993	5.9
78.78667	3.0
79.05492	12.8
81.03422	7.9
81.07056	25.8
81.16350	2.5
83.04991	19.6
85.02897	19.8
85.06539	3.7
91.05485	11.4
93.07040	18.9
95.04966	20.0
97.02898	11.2
97.06545	21.2
99.04446	8.8
99.08114	2.7
100.11319	2.7
105.07036	31.1
107.04943	5.8
107.08610	15.5
109.02903	3.6
109.06533	23.8
111.04477	5.5
111.08109	3.2
112.36460	2.5
117.07019	7.8
119.08569	12.9
120.08090	5.5
121.06502	12.5
121.10162	8.6
123.04434	4.4
125.06013	34.8
127.03934	14.0
127.07535	13.0
130.07634	3.5
130.94904	2.6
131.08563	11.7
133.06575	3.6
133.10109	3.6
134.07457	2.6
135.08017	2.8
135.11693	8.8
137.05991	10.3
143.07039	44.4
143.08536	6.0
145.04962	5.5
145.10144	53.1
147.08031	3.9
148.07562	16.8
151.07491	4.2
153.05479	5.7
159.08011	3.3
159.11685	18.8
161.09599	3.3
163.07483	4.1
163.11186	27.3
169.10106	8.0
173.09602	25.7
177.12872	3.2
187.11211	46.6
191.10751	23.7
203.10654	4.5
205.12231	25.6
209.11780	11.9
215.10716	22.6
233.11723	26.7
237.10196	4.0
249.11195	2.8
251.12820	40.0
252.08461	3.9
265.09637	4.1
267.12357	13.2
269.13803	11.1
271.11749	3.5
293.09189	5.6
311.10370	3.6
325.16437	8.4
339.09787	7.5
359.14972	7.5
371.12576	7.1
377.15982	60.1
395.17023	33.6
413.18091	100.0
426.74261	4.0
474.16647	4.6
534.18793	4.3
578.17499	11.6
610.20374	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	610.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10248	0.4
50.32373	0.2
50.61821	0.2
51.40885	0.2
53.17873	0.2
54.18577	0.2
57.47184	0.2
67.05501	0.9
79.05485	0.5
80.05027	0.4
81.07059	0.9
83.08646	0.3
91.05475	0.5
93.07039	0.5
93.13666	0.3
95.08604	0.4
97.10160	0.2
98.98469	3.5
105.07025	0.4
106.06615	0.3
107.08588	0.6
109.10182	0.3
117.05740	0.3
117.07038	0.5
118.06547	1.0
119.07309	0.9
119.08564	0.3
125.00011	12.6
130.06560	0.2
134.09662	14.0
144.08092	5.8
145.08890	3.3
160.11226	86.2
161.11536	0.5
178.12296	5.5
258.08920	100.0
259.09369	0.8
343.36060	0.2
346.25186	0.2
355.06952	0.4
452.97440	0.2
574.32690	1.1
592.24377	0.4
592.34003	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	611.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90011	0.5
53.23577	0.5
69.17121	4.6
88.74233	0.5
94.92999	3.3
112.89610	1.0
134.96107	1.3
136.94023	1.9
148.94052	1.6
162.95628	0.7
164.93526	1.6
166.95110	4.0
176.93510	5.3
188.93558	0.7
196.20340	0.6
206.94582	2.0
250.93663	1.3
268.94641	44.2
268.98230	100.0
381.07956	7.8
618.35724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	56343-26-1
Peak:m/z	Relative Intensity
53.03939	0.4
55.01883	0.2
55.05503	0.2
65.03939	1.0
67.05522	0.3
69.03441	1.5
69.81399	0.4
69.81805	0.6
70.06606	0.2
71.05016	0.2
79.05495	0.3
81.02987	0.3
81.03423	3.3
81.07068	0.3
82.83653	0.2
85.02918	1.0
91.05485	9.3
93.07053	0.3
95.04967	0.2
95.08600	0.3
97.02896	0.5
97.06540	0.3
99.04469	0.3
107.08603	0.2
109.02884	1.3
111.00794	0.3
119.04950	22.1
120.08109	0.3
127.03909	0.8
135.04427	0.2
137.02362	0.5
145.02901	0.1
147.04417	100.0
148.04849	0.4
148.07590	0.9
149.07924	0.3
153.01820	1.0
163.03926	1.5
165.01859	0.3
165.05492	3.0
181.08640	0.2
181.49246	0.2
195.02950	0.1
201.05513	0.4
229.04927	1.0
249.07561	0.2
257.04446	0.5
265.09851	0.2
266.10223	0.2
280.11523	0.2
281.09338	0.2
284.11322	0.3
287.05566	0.2
291.08658	5.0
293.09283	0.2
294.09564	0.3
303.05008	16.5
309.09641	2.4
311.10367	0.2
339.09830	0.3
340.10086	0.3
360.12671	0.2
365.76422	0.2
371.12497	0.2
372.12671	0.3
489.36398	0.2
535.19000	0.2
579.17920	1.0
610.25336	0.2
611.25525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1397
Annotation	Helichrysoside
Peak:m/z	Relative Intensity
55.05527	0.3
60.03459	0.3
65.03938	1.6
67.05505	1.0
69.03427	1.4
69.07062	0.9
69.32497	0.9
69.32912	1.7
70.06580	0.3
71.04973	0.5
79.05490	0.9
81.03421	2.3
81.07052	1.8
83.05003	0.5
83.08620	0.5
84.93195	0.3
85.02909	1.3
86.09705	0.5
91.05480	13.5
93.07047	1.3
95.04965	0.6
95.08624	1.2
97.02892	0.5
97.06523	0.8
97.10162	0.4
98.21445	0.6
99.04450	0.6
99.08102	0.3
105.07027	1.0
107.04964	0.4
107.08587	1.3
109.02873	1.5
109.06507	0.5
109.10152	0.7
111.00807	0.4
111.04457	0.3
111.08092	0.5
117.07030	0.3
119.04947	27.9
119.08564	0.8
120.08128	0.8
121.02925	0.5
121.06512	1.2
121.10152	0.6
123.04459	0.4
123.08107	0.3
123.11743	0.5
125.06059	0.4
127.03943	1.4
131.08569	0.3
133.10181	0.4
135.08041	0.3
135.11696	0.4
137.02342	1.4
139.07520	0.3
143.07027	0.5
145.04991	0.4
145.10141	0.4
147.04414	100.0
147.11674	1.1
148.07584	1.9
149.07881	0.8
149.13237	0.3
153.01848	1.5
159.11732	0.3
161.13277	0.3
163.03917	0.6
165.01857	0.9
165.05521	0.6
169.12247	0.3
171.11610	0.4
173.05887	0.3
175.11179	0.5
179.03397	2.5
183.02896	0.3
184.07349	0.4
186.05739	0.3
189.12752	0.4
193.12274	0.8
199.11134	0.3
201.05444	0.6
207.13879	0.4
211.13275	0.8
217.12238	1.3
223.20628	0.4
229.05011	2.0
235.13284	1.8
237.10176	0.4
252.08670	0.7
253.14389	1.3
257.04443	1.4
259.09744	0.4
266.10104	0.5
274.04776	0.3
285.03970	0.7
285.07202	0.3
291.08737	1.9
293.09308	0.5
294.09406	0.3
303.04996	41.7
308.26071	0.3
309.09671	0.6
312.10916	0.3
339.09924	0.5
340.10034	0.7
345.05875	0.4
351.25217	0.4
353.11084	0.5
360.12619	0.5
371.12152	0.4
372.12784	0.5
383.17401	0.9
579.17761	1.5
611.20538	0.6
611.29919	0.4
629.82684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Rutine
Peak:m/z	Relative Intensity
55.01860	0.3
57.03442	1.7
61.02925	0.4
68.65736	0.2
69.03410	0.9
69.03748	0.2
69.71026	0.5
69.71438	1.3
70.20605	0.2
71.04996	10.1
73.02892	0.4
75.04480	0.4
78.32584	0.2
81.03408	0.8
83.40564	0.2
85.02911	12.9
87.04480	0.5
91.03956	0.3
95.04958	0.3
95.63422	0.2
97.02888	1.2
109.02868	0.5
111.00793	0.7
111.04423	0.4
118.05190	0.2
121.02889	0.6
127.03922	0.9
129.05496	3.3
137.02347	1.7
138.89049	0.3
145.04962	0.8
147.06519	1.0
149.02280	0.3
153.01825	2.6
164.07068	0.4
165.01859	1.4
171.13239	0.3
180.20410	0.2
182.08168	0.6
183.02829	0.6
187.04015	0.5
195.02698	0.3
201.05484	1.1
205.04822	0.3
229.04970	3.1
244.91585	0.2
247.05986	0.6
257.04422	2.1
274.04715	0.8
285.03888	0.9
303.05002	100.0
304.05338	0.6
439.75409	0.3
465.10538	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.3
55.01848	0.2
57.03446	1.5
61.02933	0.9
66.48327	0.2
68.99798	0.4
69.03433	1.1
70.06596	0.3
71.01343	0.3
71.04996	9.9
73.02910	0.3
75.04470	0.5
81.03413	0.9
83.04966	0.5
85.02910	14.4
86.09676	0.3
87.04472	0.5
91.03949	0.4
93.03423	0.5
97.02905	1.2
99.04448	0.2
107.04924	0.3
109.02859	1.0
111.00791	0.8
111.04436	0.7
118.64657	0.2
121.02850	0.7
121.10070	0.3
123.04395	0.2
127.03912	1.0
129.05501	3.1
137.02354	2.3
145.02805	0.2
145.04948	0.8
147.04372	0.2
147.06512	1.0
149.02318	0.3
153.01848	2.5
163.03894	0.5
165.01836	1.4
173.05916	0.4
175.42291	0.2
181.04985	0.2
183.02885	0.7
187.03793	0.2
191.03331	0.2
201.05475	1.3
203.34964	0.2
207.02959	0.2
219.06616	0.2
228.50529	0.2
229.04968	3.6
229.07060	0.3
247.06104	0.8
255.45850	0.2
257.04462	2.4
270.01306	0.2
274.04791	0.8
275.05460	0.2
285.04056	1.2
287.05576	0.6
303.05002	100.0
304.05350	0.7
315.04977	0.3
341.19989	0.2
345.06073	0.5
369.05945	0.4
408.23898	0.2
440.24866	0.2
449.11389	0.4
465.10141	1.3
495.69067	0.2
611.22754	0.3
618.17145	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1611
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.03938	0.3
55.01872	0.3
57.03447	0.5
60.98311	0.1
61.02930	0.8
64.04292	0.1
68.99811	0.3
69.03085	0.2
69.03434	2.1
69.07066	0.1
70.06599	0.2
71.04982	0.2
71.52007	0.2
73.02915	0.3
79.05511	0.1
81.03431	1.3
84.04517	0.2
84.08115	0.1
85.02909	5.8
86.09725	0.1
87.04466	0.2
91.03952	0.2
95.05009	0.2
97.02900	2.3
99.04461	0.4
103.05428	0.1
105.03393	0.2
107.04952	0.3
109.02866	0.6
111.00807	0.5
121.02875	1.9
123.37301	0.1
127.03925	1.3
129.07060	0.1
130.05011	0.2
133.02873	0.3
137.02382	0.5
145.04980	1.1
147.04411	0.5
147.07678	0.2
153.01839	2.6
157.06462	0.2
161.05975	0.1
165.01872	1.1
165.22536	0.1
183.02902	0.6
185.05997	0.4
189.02104	0.1
197.05959	0.1
203.06966	0.1
213.05450	0.9
231.06583	0.5
241.04916	0.7
258.05225	0.7
259.06070	0.3
267.15979	0.2
269.04724	0.1
285.17068	0.2
287.05508	100.0
288.05746	0.7
301.12897	0.1
303.05029	0.3
329.06479	0.1
344.41891	0.1
449.10834	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	611.2826
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
53.03939	2.1
55.01884	0.8
55.05518	7.7
57.03448	3.9
57.07056	1.2
65.03938	1.0
67.05183	1.2
67.05513	20.1
67.05871	0.7
69.03413	0.9
69.07060	6.0
71.04984	1.1
71.08638	18.5
71.52549	1.4
79.05495	15.5
81.03427	4.8
81.07060	19.5
83.04982	5.2
83.08618	4.6
85.06554	1.8
91.05483	12.6
91.96938	0.8
93.06485	1.5
93.07053	22.4
95.04980	4.2
95.08617	15.0
97.06528	4.4
97.10153	2.1
98.98482	8.1
99.08096	13.8
105.07042	8.2
107.04955	2.9
107.08598	10.6
109.02891	1.8
109.06499	1.6
109.10171	6.1
113.09695	1.3
116.01241	0.8
117.07069	1.9
119.08579	9.5
121.10155	9.2
123.08033	1.3
123.11734	1.0
129.07071	1.2
131.08607	1.8
133.10155	6.5
135.08154	0.8
135.11703	10.1
137.09615	1.4
141.09167	1.3
143.08603	1.2
145.10150	2.6
146.30429	0.8
147.11708	2.3
149.13266	4.4
151.11189	7.3
157.10115	1.2
159.11739	1.8
161.09691	0.9
161.13264	6.3
163.11171	4.4
165.12801	1.0
167.10706	1.8
171.11711	1.7
173.13208	0.8
175.14784	0.8
177.12772	1.4
179.14328	34.1
187.52037	0.7
189.12737	1.4
195.13737	1.1
221.15260	1.2
235.16965	1.7
253.18071	0.8
259.20572	2.5
277.21649	22.8
290.88547	0.9
333.24243	2.5
335.07556	1.3
351.25308	100.0
352.25723	1.4
365.23001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.7
61.87531	0.7
67.05495	2.8
69.07045	0.9
71.08617	0.8
71.52469	0.9
72.08157	1.6
73.04765	8.3
74.04699	1.1
75.04479	2.2
79.05492	2.0
81.07059	3.5
91.05824	10.4
93.07043	2.8
95.08612	2.5
105.07053	1.8
107.07963	0.7
107.08621	2.1
108.71837	0.6
109.10175	1.5
114.07383	2.4
117.07027	1.0
119.08614	1.6
121.10139	1.2
131.08565	1.3
135.11728	0.8
143.08598	0.9
145.10176	2.1
147.11717	1.3
149.04433	1.1
159.11714	1.4
163.14949	0.7
167.05592	2.6
168.05626	0.9
173.13246	0.7
197.77167	0.7
239.09520	3.0
240.09625	2.3
259.20749	1.0
268.97980	1.5
285.00961	4.2
286.01010	3.1
299.06055	3.4
300.06281	2.7
345.97699	0.9
355.07001	6.5
356.07065	9.6
377.17545	1.1
391.19553	0.9
405.16763	1.0
407.22656	1.2
419.99673	1.0
432.19095	0.9
433.16562	2.5
434.17548	2.3
435.17551	6.0
447.22388	1.4
448.18494	1.4
449.19254	8.5
463.21146	25.9
475.21243	8.7
477.23135	2.7
490.23782	8.5
491.20602	8.8
493.26450	1.3
498.44037	0.8
501.23129	1.5
508.21344	2.9
509.25616	1.0
518.23126	1.1
519.23816	1.5
521.22479	1.3
537.25055	29.3
564.23645	7.7
579.25842	4.7
611.28662	100.0
611.42865	11.9
612.29242	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	611.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.5
56.96572	0.3
62.55588	0.2
65.03942	0.3
65.69398	0.3
67.05491	0.8
69.07074	0.8
69.73731	1.5
71.04919	0.3
77.90688	0.3
79.05486	0.8
81.03442	0.6
81.07049	1.1
83.17704	0.3
85.02922	0.4
86.09735	0.3
91.05486	0.4
93.07036	0.8
95.04966	0.5
95.08591	0.8
97.02875	0.4
97.06528	0.8
97.49208	0.3
99.04459	0.6
105.07076	0.6
107.08576	0.8
109.02895	0.5
109.10194	0.4
119.04961	0.5
119.08585	0.4
120.08112	0.4
121.10101	0.5
123.04467	0.3
123.11642	0.3
123.75164	0.3
127.03903	0.9
133.10078	0.4
135.11687	0.3
136.07613	0.3
145.10158	0.5
147.04361	1.6
148.07585	0.5
157.10132	0.3
161.13013	0.3
163.03929	0.5
171.11755	0.3
221.67654	0.3
227.05263	1.0
260.59436	0.3
275.19971	0.4
303.05121	1.1
305.21219	0.6
348.96240	0.3
363.24982	4.0
381.24625	0.4
391.11554	0.7
391.24405	0.5
405.25961	0.4
507.29153	1.0
525.30298	14.0
549.30243	1.7
567.31384	36.3
568.31415	0.4
579.18390	0.4
611.30359	100.0
612.30090	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.01868	1.1
55.05517	12.5
55.28185	0.5
57.03448	3.5
57.07072	3.4
65.03942	1.4
65.19504	0.5
67.05509	22.9
69.07074	11.2
69.20204	1.0
69.20617	3.4
71.04990	1.1
71.08632	1.8
72.26512	0.5
79.05497	15.5
81.07059	22.0
83.04999	1.7
83.08622	7.7
85.06553	1.3
90.16293	0.5
91.05483	15.1
91.06024	1.1
93.07050	17.2
95.04985	1.2
95.08611	19.6
97.06527	1.8
97.10188	3.8
99.08109	0.8
105.07037	15.7
107.04953	0.8
107.08600	9.4
109.06527	0.5
109.10167	7.3
111.08115	1.5
111.11742	0.7
115.05437	0.9
117.07024	9.0
119.08591	14.3
121.10148	8.9
123.08047	0.9
123.11712	2.1
125.09662	1.9
128.06232	1.9
129.07010	9.3
130.07776	0.7
131.08583	16.7
131.09544	1.0
133.10147	9.4
135.08090	0.7
135.11682	4.6
137.09650	0.6
137.13289	0.9
141.06999	3.7
142.07758	1.8
143.08571	12.0
144.09270	0.5
145.10123	14.1
147.11697	5.0
149.09616	1.1
149.13269	2.5
153.07080	0.6
155.08572	6.9
156.09395	1.1
157.10143	10.6
158.10881	0.6
159.11703	9.8
159.65346	0.5
161.13295	3.2
162.23045	0.5
163.11148	0.6
163.14854	1.5
165.16455	0.6
167.08577	2.1
168.09399	0.9
169.10141	8.2
171.11697	10.5
173.13272	7.0
175.14877	2.1
177.16420	0.6
179.08664	0.7
179.14368	1.1
181.10103	4.3
183.11703	7.4
185.13271	7.9
187.14833	4.5
189.16441	2.1
190.61153	0.5
191.17973	1.5
193.10204	1.0
195.11652	2.6
197.13263	6.6
199.13200	1.1
199.14818	5.5
201.13066	0.5
201.16438	3.4
203.14398	0.5
203.18018	1.2
205.19542	1.0
207.11748	1.0
209.13251	3.7
211.14868	4.2
213.14690	1.0
213.16502	3.7
215.14449	0.5
215.17966	2.4
221.13295	0.9
223.14899	2.0
225.16414	3.4
227.18083	2.9
229.19443	2.8
233.13187	0.5
235.14841	1.7
237.16365	1.2
239.18065	2.7
241.17604	0.7
241.19612	1.9
243.17520	0.7
243.21158	1.4
247.20482	0.6
249.16510	0.8
251.18001	1.0
253.19568	1.8
255.21190	1.7
257.19116	0.7
257.22696	0.8
259.17068	0.5
263.18295	0.6
265.19632	0.9
267.21274	1.4
269.22791	1.3
271.20718	0.6
275.20203	1.0
277.21872	0.9
281.22696	0.5
283.20520	1.2
283.24234	1.0
285.22083	0.7
293.22665	0.7
297.22211	0.9
299.20026	0.8
301.21625	0.6
306.06931	0.5
309.22226	0.6
311.23642	0.7
313.25427	0.6
323.23587	0.5
324.96948	0.6
325.25174	0.9
337.25296	0.7
339.26657	0.6
353.28531	1.2
355.26120	0.9
367.30148	0.9
395.33075	1.5
407.28781	0.7
423.32700	0.8
431.33374	0.7
435.32370	0.9
441.33704	0.6
449.33984	0.8
499.33453	0.5
501.41510	0.8
513.36017	0.7
517.40125	0.6
519.42017	6.3
523.37982	1.0
537.42999	4.7
541.38934	1.5
555.45453	0.5
575.44659	1.1
593.45642	9.4
599.75885	0.7
611.46735	100.0
612.47034	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	611.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01876	1.7
55.05512	18.1
57.03438	6.0
57.07076	3.8
59.05010	0.7
65.03940	2.3
67.05508	46.9
69.07069	17.3
69.19048	7.4
71.04998	2.4
73.57259	0.6
79.05495	36.3
81.07058	48.6
83.04965	1.8
83.08623	8.7
85.06549	2.7
91.04908	1.6
91.05482	33.6
93.07046	42.5
95.04966	3.2
95.08610	39.1
97.06526	3.6
97.10164	4.7
97.19640	0.8
99.08093	1.4
101.06119	0.7
103.05465	1.5
105.04546	0.9
105.07034	35.3
107.08596	21.7
109.06520	1.8
109.10155	15.7
111.08073	2.2
115.05481	2.1
116.06255	0.9
117.07018	13.9
119.08580	30.5
121.10146	20.2
123.08054	0.9
123.11713	6.1
123.41147	0.6
125.09629	1.7
128.06242	2.2
129.07019	8.3
130.07768	0.8
131.08565	26.1
133.10138	23.4
135.08144	0.8
135.11694	14.1
139.11137	0.9
141.07036	2.8
142.07802	1.7
143.08559	12.5
144.09378	1.1
145.10120	24.7
147.11691	18.5
147.12802	1.0
149.09674	1.6
149.13260	8.3
155.08582	4.4
156.09325	1.6
157.10114	14.6
159.11702	18.0
161.13260	14.4
163.11292	0.9
163.14839	2.7
167.08583	1.9
169.10124	8.1
171.11707	12.0
173.13268	11.4
175.11157	1.0
175.14807	6.9
177.12755	0.8
177.16417	1.6
181.10065	3.5
183.11684	7.0
185.13281	9.0
187.14870	7.3
189.16396	0.9
193.10242	0.9
195.11728	3.0
197.13240	6.6
199.14790	7.2
201.16402	4.2
203.17993	1.1
207.11743	0.9
209.13326	3.8
211.14861	3.9
213.14664	1.0
213.16428	5.0
215.17984	1.6
217.19592	0.7
221.13232	1.5
223.14920	2.0
225.16446	2.2
227.18022	1.9
229.19524	1.7
231.17404	1.0
231.21143	2.4
233.18973	0.8
235.14929	1.0
237.11374	0.7
237.16370	1.8
239.18057	3.4
241.19582	9.7
243.21158	2.8
249.16553	0.9
251.18044	1.6
253.19675	1.7
255.21452	1.1
257.19028	3.6
259.20581	21.0
261.21991	3.3
269.18884	0.9
270.16064	0.7
275.23923	0.8
275.69818	0.7
277.19302	0.9
283.20587	0.7
285.22177	1.0
289.21790	0.8
297.22067	1.3
299.23761	1.1
301.25235	0.8
311.23605	0.7
313.25687	0.9
315.23233	1.6
325.25308	0.9
329.24780	1.0
331.22607	1.3
331.38992	0.7
333.24216	11.9
333.27744	1.0
335.25803	16.5
337.27670	1.1
339.26874	1.3
353.28427	0.9
387.29523	1.0
399.29245	1.0
409.30499	1.0
459.29611	0.7
463.35904	0.9
475.34494	0.9
487.34180	1.2
501.35168	1.5
501.41626	1.2
515.36884	0.9
519.41943	6.2
527.37781	0.9
537.43481	3.9
541.38947	1.5
593.45770	9.1
611.46692	100.0
612.46735	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	611.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.01868	1.9
55.05263	1.4
55.05513	15.7
57.03437	5.7
57.07075	3.1
65.03943	2.0
67.05511	41.3
69.06728	1.3
69.07075	16.4
71.05007	2.2
77.03951	0.9
79.05148	0.7
79.05499	29.8
81.07064	41.8
83.05004	2.2
83.08626	7.7
85.06541	0.9
91.05482	28.0
91.06016	1.6
93.07050	37.0
95.04975	2.0
95.08614	32.4
97.06557	2.7
97.10183	4.6
103.05492	1.0
105.04536	1.1
105.07040	31.7
107.08601	22.7
109.06549	1.4
109.10156	16.1
111.08089	1.0
111.11731	0.9
115.05493	1.3
117.07034	13.7
119.08595	26.2
121.10155	15.8
123.08110	1.9
123.11739	5.2
125.09590	1.4
128.06261	1.7
129.07024	9.4
130.07814	1.4
131.08580	22.9
131.09531	1.3
133.10133	22.1
133.11096	1.5
134.10992	0.7
135.11703	10.8
137.09589	1.2
137.13281	2.0
141.07027	1.5
142.07826	2.5
143.08563	11.7
145.10141	19.4
145.11305	1.0
147.11705	17.2
147.12814	1.3
149.09674	1.8
149.13260	7.1
151.11191	1.0
155.08559	4.4
157.10141	13.4
159.11726	16.5
161.13260	12.5
163.11201	0.8
163.14865	2.9
169.10126	7.0
171.11699	11.5
173.13266	10.4
173.14526	1.1
175.14877	4.6
177.16376	1.0
179.14226	1.1
181.10194	2.4
183.11737	5.8
185.13286	8.4
187.14830	6.6
195.11771	2.0
197.13333	4.7
199.14864	5.6
201.16483	4.0
209.13301	1.9
211.14917	2.8
213.16519	4.0
215.18002	2.7
223.14890	1.8
225.16530	2.2
227.18071	2.2
229.19585	1.3
231.17343	1.1
231.21111	2.0
237.16394	0.9
239.18027	2.5
241.19598	8.5
243.21211	0.9
257.19052	3.5
259.20593	17.7
261.22156	3.8
273.22128	0.9
277.21570	1.4
297.22141	1.4
299.20090	0.8
311.23862	1.4
315.23218	2.0
320.70633	0.9
333.24252	11.5
335.25842	18.9
353.28696	1.3
367.30249	1.3
489.36057	1.3
501.41205	1.0
519.41931	4.2
524.95459	0.9
527.37311	0.9
537.43164	2.8
541.38971	1.1
593.45624	8.9
594.25269	0.8
611.46741	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.1
53.03937	3.3
55.01874	1.5
55.05269	1.3
55.05513	17.3
56.16856	0.9
57.03442	5.5
57.07079	2.1
60.86304	0.8
65.03936	2.0
67.05508	44.4
69.07067	18.1
71.05005	1.9
71.08620	0.9
72.78333	1.0
79.05498	32.0
81.03425	1.3
81.07057	41.7
83.04984	1.5
83.08624	8.4
85.06565	1.7
85.10208	0.9
87.15494	0.8
91.05482	25.6
93.07048	35.7
93.07647	1.7
95.04982	3.1
95.08611	32.5
97.06536	3.0
97.10165	4.0
99.08086	1.2
105.04522	1.3
105.07036	29.0
106.60213	0.6
107.08602	22.1
109.06516	1.2
109.10159	13.2
111.08044	0.9
115.05412	1.3
117.07031	12.0
119.08589	27.3
121.10150	15.6
122.47724	0.7
123.08045	1.8
123.11717	5.0
128.06250	1.3
129.07010	9.3
131.08585	17.7
133.10130	19.4
133.11095	1.2
135.11690	10.3
137.13245	1.4
139.11119	0.9
141.07013	3.5
142.07768	1.5
143.08563	11.2
144.09322	0.8
145.10127	20.6
147.11685	15.2
149.09607	1.0
149.13275	6.7
155.08589	5.2
156.09329	1.2
157.10133	12.1
159.11697	15.8
161.09662	1.0
161.13248	11.3
163.11186	0.9
163.14861	3.3
167.08496	1.2
168.09224	0.9
169.10167	5.7
171.11690	12.5
172.12303	0.9
173.13258	11.0
173.14499	1.0
175.14851	5.8
177.12827	0.9
177.16405	1.4
181.10158	2.2
183.11754	6.0
185.13242	9.8
187.14835	5.4
189.16383	2.4
195.11745	3.1
197.13272	5.1
199.14842	6.0
201.16431	3.2
209.13361	1.5
211.14897	2.2
213.16527	3.7
215.18005	2.8
222.40718	0.8
223.14883	1.7
225.16393	2.6
227.18005	2.2
231.21149	2.2
235.14967	1.2
237.16425	0.9
239.18094	2.3
241.19658	8.4
243.21152	2.1
251.18047	1.0
253.19359	1.3
257.19043	3.5
259.20593	15.5
261.22205	2.8
270.30685	0.8
279.21298	0.9
297.21979	1.1
315.23212	1.8
331.22620	1.0
333.24216	11.8
335.25784	21.5
337.27588	1.1
353.28412	1.7
367.30167	1.3
393.31314	0.9
423.33215	0.8
489.36230	1.2
509.36438	1.1
511.73935	1.0
517.39661	0.9
519.41937	6.9
527.37366	1.2
533.24695	1.6
537.43030	4.1
541.38989	1.5
593.26343	2.2
593.45569	9.9
611.28064	10.1
611.46631	100.0
612.47192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.6
55.01869	1.0
55.05513	12.6
57.03440	2.6
57.07080	5.4
64.31295	0.5
65.03955	0.9
67.05508	24.4
69.03439	2.4
69.07073	11.3
71.05002	1.3
71.08637	2.9
71.53311	0.6
71.53679	0.6
74.35168	0.5
79.05495	13.2
79.05909	0.9
81.03426	2.9
81.07066	21.9
83.04991	0.9
83.08623	7.5
85.06567	1.7
85.10229	1.0
85.60203	0.6
87.14467	0.5
91.05480	10.0
93.07047	13.3
95.04982	1.2
95.08611	15.9
95.09165	1.0
97.02901	0.9
97.06566	1.6
97.10179	4.3
97.81339	0.5
99.08125	0.9
105.07032	12.2
105.07686	0.7
107.08595	9.4
109.06591	0.9
109.10164	10.3
111.04456	0.7
111.08091	1.1
115.05486	1.2
117.07042	7.1
119.08592	11.4
121.10161	5.4
123.08074	1.2
123.11742	2.4
125.09675	2.3
127.03986	0.7
128.06279	1.7
129.07013	7.0
129.07791	0.6
130.07866	0.6
131.08578	13.4
131.09518	0.9
133.10152	7.3
135.11699	3.5
137.09674	0.9
137.13306	0.7
141.07045	2.2
142.07831	1.6
143.08577	10.6
143.09566	1.0
144.09416	0.8
145.10138	13.3
147.11681	3.7
149.13312	2.2
151.11197	0.9
155.08572	5.7
155.10710	0.7
156.09317	0.8
157.10149	10.3
159.11699	10.7
159.12854	0.7
161.13326	2.4
163.14871	1.7
167.08644	2.1
168.09296	0.6
169.10139	8.9
169.11354	0.7
171.11700	8.6
173.11884	1.0
173.13242	5.8
175.14934	2.4
177.16475	0.9
181.10185	3.4
182.10960	0.9
183.11687	7.7
184.01213	0.6
185.13274	7.2
187.14825	3.8
189.16508	1.6
193.10197	1.0
195.11681	3.6
196.12514	0.8
197.13249	6.7
199.13200	1.1
199.14827	5.5
201.16365	2.8
203.18073	0.7
207.11769	1.0
209.13297	3.5
211.14790	3.9
213.16415	4.3
215.17987	2.9
217.19551	0.6
221.13339	1.1
223.14949	2.7
225.16374	3.5
227.18124	3.0
229.19678	2.0
231.17575	0.9
235.14819	1.3
237.16370	1.1
239.18040	2.7
241.19688	2.4
243.21165	1.3
249.16399	0.9
251.18225	1.4
253.19678	1.7
255.21289	1.1
257.18961	0.9
257.22748	1.1
263.18039	0.9
265.19571	1.1
267.21063	1.1
271.63309	0.7
281.22852	0.8
283.24213	0.9
295.97720	0.6
297.22366	0.9
299.15137	1.2
311.23657	0.7
325.25314	0.9
337.25531	0.8
353.28641	1.2
355.17526	0.9
355.26294	0.9
365.28177	0.8
367.30060	0.9
381.31943	0.8
501.41211	2.6
519.42114	10.5
527.38104	0.6
537.43054	7.0
575.44794	1.2
578.82019	0.7
593.45679	15.2
593.54871	0.7
611.47003	100.0
612.47559	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.1
57.94780	0.8
67.05492	1.6
69.07091	0.9
69.93192	4.1
78.22544	0.9
78.91676	0.8
79.05479	4.4
80.05019	0.9
89.03927	1.9
90.98152	0.8
91.05473	2.7
93.07037	2.6
94.06562	10.4
96.08138	1.7
103.05489	2.1
105.05788	1.3
106.06562	1.9
107.07376	1.3
108.04494	3.7
108.08127	8.9
113.02168	0.9
116.04992	11.3
118.06568	2.0
119.07359	1.5
120.04473	5.5
120.08108	20.4
122.06032	24.1
122.09685	1.9
124.07600	11.7
124.51952	0.9
132.04439	1.6
134.06009	1.9
136.07579	24.3
138.05495	1.5
138.09134	2.2
140.32365	0.8
144.04454	16.1
146.06017	18.7
148.03877	1.4
148.07579	65.2
150.05507	1.1
150.09100	1.2
152.07068	4.0
158.06015	2.6
158.09663	0.9
160.03944	6.3
160.07573	1.3
162.05499	3.5
164.07082	3.0
166.08630	3.1
168.06541	3.3
168.07901	0.9
170.05997	1.1
172.03935	48.1
174.05492	9.5
175.11099	1.0
182.08147	2.4
184.09964	1.5
186.05547	5.8
188.07098	1.3
190.04996	57.4
191.05653	0.9
192.06560	1.6
196.09962	1.7
197.10674	0.9
198.11415	1.4
199.08723	0.9
201.10294	1.1
202.33635	1.0
204.06570	44.9
206.08066	3.2
206.09720	2.4
207.09180	5.3
208.09900	5.9
209.10812	2.5
210.07585	1.9
210.09386	1.2
210.11432	2.0
211.08717	2.3
211.12334	3.5
212.09482	1.7
213.10161	1.5
214.77885	1.0
221.10773	2.9
222.07791	1.7
222.11504	3.1
223.12312	11.5
224.09242	1.7
225.10202	5.0
226.10986	3.6
227.11810	3.8
232.06104	1.7
233.10768	1.9
234.09210	3.2
234.11533	2.2
235.08672	2.6
236.09413	9.7
237.10216	1.6
238.11121	1.9
239.08121	1.0
239.11772	2.1
240.08771	1.9
241.09673	1.4
243.11557	1.1
249.10313	4.2
250.10995	7.8
251.11813	20.2
252.08659	20.8
253.09738	3.9
255.11295	4.2
261.12436	1.1
262.08670	1.9
263.08160	3.6
264.08926	8.9
265.09747	1.6
267.11319	3.0
277.09909	1.1
278.10522	10.6
279.11279	51.5
281.09201	6.1
281.12555	1.9
283.10559	1.6
285.12311	2.7
287.10275	6.2
292.08237	1.6
293.09250	0.9
295.10803	5.4
297.12427	8.7
299.10321	10.9
307.10773	63.1
311.10526	1.9
311.13791	1.4
313.11835	3.6
323.10272	12.8
325.11862	23.3
329.11270	11.3
339.13327	6.3
341.11340	13.8
343.12946	1.8
359.12491	1.1
361.13980	2.8
367.12820	5.8
373.13916	2.9
383.12167	4.4
388.16263	1.1
393.10773	2.5
406.17575	1.3
411.11877	83.2
429.12823	5.6
430.17700	2.7
434.17007	2.4
443.14526	3.5
448.18686	7.8
452.18594	1.2
458.17209	2.2
459.34064	1.1
476.18188	97.4
477.18378	1.9
494.19241	11.9
508.20804	1.2
536.20178	6.2
538.18170	4.3
550.21942	2.7
562.18201	11.4
580.19263	100.0
581.19690	2.4
594.20782	6.4
612.21643	2.0
612.33435	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36576	0.6
53.03916	0.7
65.03895	0.8
67.05478	1.4
70.06554	1.4
71.52004	0.9
72.08129	0.9
79.05453	2.3
80.04982	0.8
81.07022	0.9
89.03865	2.0
91.05450	1.8
92.04956	0.6
93.05750	0.7
93.06997	2.6
94.06574	10.1
95.04939	0.9
95.08587	0.6
96.08109	1.0
98.06006	1.0
103.05416	2.6
105.06957	0.8
106.06508	2.1
107.07317	0.9
108.04480	13.3
108.07541	0.5
108.08122	5.5
116.04997	8.7
118.06524	1.1
119.08469	0.7
120.04475	5.3
120.08121	11.7
122.05212	1.3
122.06035	22.5
124.07597	12.2
131.01590	0.5
132.08061	0.7
134.05981	0.6
136.07585	16.5
138.05464	0.7
138.09073	1.0
140.07019	2.1
144.03432	0.9
144.04456	14.0
146.04868	0.9
146.06009	15.9
147.11589	0.9
148.03822	1.2
148.07582	30.4
150.05466	2.5
150.09189	0.7
152.07068	2.3
156.08061	0.6
158.06104	0.7
160.03946	3.8
162.05513	3.4
164.07059	1.5
166.08591	2.6
168.06567	14.1
172.03941	37.4
173.04686	1.5
174.05533	9.7
178.05042	0.7
183.09108	0.8
184.07465	0.7
186.05524	7.1
188.07076	1.5
190.04997	48.8
191.05630	1.2
191.07288	1.0
192.06413	1.0
195.09175	1.1
196.07492	0.8
196.09901	1.0
197.10762	0.8
198.11520	1.4
204.06564	37.6
206.08107	7.9
206.09715	1.3
207.09154	3.5
208.09879	4.7
209.10599	1.3
210.07541	1.5
210.11533	1.9
211.08701	1.7
211.12234	3.2
214.05019	0.8
221.10696	2.5
222.07803	0.9
222.11420	2.2
223.08702	1.0
223.12286	9.5
225.10217	2.2
226.10963	2.8
227.04852	0.7
227.08212	0.7
227.11874	0.7
232.06049	1.3
233.10692	1.4
234.09108	2.6
234.11543	1.4
235.08684	2.9
236.09398	8.8
237.10196	2.0
238.10966	2.2
239.08223	1.0
239.11528	0.9
248.05615	0.9
249.06572	0.9
249.10310	3.5
250.11003	5.6
251.11780	17.2
252.08688	9.4
253.09540	2.1
254.10413	2.0
262.08557	1.7
263.08224	2.8
264.08942	8.8
265.09735	1.4
266.10254	0.9
267.11115	1.2
277.09683	1.4
278.10507	9.1
279.11292	47.9
281.09088	0.9
283.10727	0.8
285.12247	0.7
287.10242	1.6
292.08374	1.1
293.09250	0.8
295.10635	2.2
296.11398	1.1
297.12354	6.4
299.10461	4.6
306.09970	1.6
307.10782	69.1
308.11145	1.3
311.10196	1.3
311.13495	1.5
313.11972	4.4
323.10278	9.8
324.11179	0.9
325.11853	23.3
329.11389	3.9
339.13419	6.6
340.10162	0.8
341.11292	10.3
342.13104	0.8
343.12830	1.8
355.12808	0.8
359.12286	1.5
361.13861	1.2
365.11578	0.8
366.69681	0.7
367.12860	6.2
372.12708	1.0
373.13956	6.1
383.12292	4.6
385.14468	0.9
393.10870	3.3
411.11887	100.0
412.12054	1.2
429.12833	6.2
430.17889	1.0
443.14307	1.4
448.18652	3.2
458.17267	1.4
476.18213	30.8
490.19577	1.0
490.96671	0.7
494.19299	9.8
508.20877	4.4
518.19299	0.8
536.20319	3.4
538.18152	2.0
550.21838	2.6
552.19891	1.0
562.18335	4.3
575.47858	0.6
580.19232	89.0
581.19440	2.0
594.20911	3.7
598.20331	4.3
612.21710	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	612.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
57.07054	1.0
57.56815	0.2
67.05504	1.1
70.67090	0.2
71.08603	0.9
79.05482	0.6
81.07037	0.7
85.10181	0.4
91.05457	0.4
95.08582	0.6
98.21510	0.5
98.98462	1.3
105.07031	0.3
107.08560	0.4
109.02879	0.2
109.10133	0.4
118.06543	4.3
125.00004	5.8
131.08540	0.3
132.08073	1.6
133.08846	0.7
135.11699	0.2
144.08089	11.3
145.08882	0.7
146.09615	0.9
158.09657	4.5
159.10411	2.0
160.11230	1.1
162.09140	2.5
172.11195	4.0
173.12003	0.6
176.10861	1.5
176.14354	23.2
177.11456	0.7
190.12224	1.2
190.85835	0.2
202.15916	100.0
203.16238	0.8
220.16971	95.4
221.17308	0.6
242.07175	0.3
249.25749	0.2
287.17380	0.3
300.13605	63.3
301.13913	0.6
313.27322	0.5
340.60419	0.3
374.17242	0.7
411.21713	0.3
412.22675	0.4
423.22018	0.8
425.19830	0.5
439.20953	0.5
440.22058	0.4
469.22375	0.3
483.24478	0.4
490.60419	0.3
497.21747	0.5
509.21924	0.3
527.26196	0.4
565.48975	0.3
565.91315	0.4
569.27478	0.6
570.24548	0.6
571.25574	4.1
594.39130	6.1
612.40222	42.9
613.26630	4.3
613.40576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01874	5.6
55.05514	18.8
57.03444	19.6
57.07085	4.3
60.94382	1.9
65.03944	2.5
67.05508	59.5
69.03433	3.9
69.07070	15.0
69.75267	10.7
71.04990	3.8
79.05070	3.3
79.05499	46.7
80.05830	2.1
81.03422	88.3
81.07060	59.9
83.05007	8.2
83.08625	21.5
85.06540	2.1
91.05482	36.6
93.06484	3.3
93.07050	56.4
95.04977	25.0
95.08610	43.7
97.02914	3.3
97.06538	5.5
97.10162	5.6
98.21531	2.3
99.08080	3.4
105.07039	32.6
107.04948	6.9
107.08596	28.0
109.06522	3.7
109.10177	21.3
111.08081	6.1
117.07028	8.1
119.04957	1.7
119.08578	26.1
121.06562	2.7
121.10146	22.8
123.08059	3.7
123.11707	6.2
125.09643	7.1
128.06213	2.1
129.07013	11.6
131.08582	20.3
133.06496	3.0
133.10127	17.5
135.11691	14.5
137.09612	2.5
142.07838	2.8
143.08583	3.0
145.10126	7.7
147.08023	4.8
147.11687	17.9
149.09633	4.8
149.13252	6.0
151.11128	2.4
157.10149	11.9
159.11723	9.2
161.13292	5.7
163.11172	2.2
163.14853	5.6
163.35406	1.8
165.12758	2.4
171.11671	3.1
173.11829	1.7
173.13271	7.7
175.11195	8.7
175.14786	2.7
177.12740	1.8
177.16469	2.3
179.14389	3.8
183.11722	2.9
185.13306	2.4
187.14865	4.3
193.12236	23.8
202.15779	2.0
220.17036	2.5
227.12787	5.8
243.21190	6.6
249.14865	3.5
254.62814	1.9
261.22192	18.4
267.15939	100.0
277.21634	3.7
300.13611	2.3
301.21509	2.1
301.25259	4.2
317.24838	5.1
335.25815	82.3
384.84958	1.8
435.32651	3.1
437.74481	2.4
443.14694	1.8
447.23599	1.8
453.33362	7.3
471.34805	4.3
527.37347	61.8
545.38416	27.4
612.27850	7.9
612.47333	17.5
612.57306	2.9
644.37775	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	613.2656
Annotation	Karajinone B
Peak:m/z	Relative Intensity
55.05518	1.7
56.42179	0.8
57.03457	1.2
57.51971	0.8
67.05501	3.7
69.07047	0.7
69.38431	5.5
69.38840	1.6
70.02979	0.8
72.67365	0.7
73.53217	0.8
79.05513	2.4
81.07066	2.3
91.05486	1.9
91.38701	0.9
93.07063	2.8
95.08623	3.6
105.07041	1.5
107.08614	1.4
109.10153	1.2
119.08567	1.4
121.10136	2.2
123.74023	0.8
131.08589	1.2
136.07646	2.7
159.72096	0.7
172.07568	1.6
174.09135	4.8
177.57788	0.8
185.07100	0.9
187.12354	2.8
188.10793	2.9
197.10852	0.9
200.10789	1.0
211.08858	0.9
212.09528	1.1
213.10295	1.3
215.11807	2.3
222.00644	0.8
224.09364	1.2
225.10242	2.9
227.11768	4.6
235.08707	1.5
237.10246	1.5
239.11848	2.3
241.13434	5.1
243.11334	13.3
249.10338	1.4
251.11815	1.5
253.09895	1.5
267.11194	5.2
269.13010	4.9
270.79587	0.8
271.10983	1.7
277.09555	1.1
279.11462	1.1
283.61694	0.7
287.14005	3.0
289.09854	0.9
293.12833	1.2
295.10928	4.0
299.14084	1.0
309.12427	1.3
311.14288	1.6
313.12537	1.0
314.12991	2.3
316.11093	0.9
320.13925	0.9
327.13269	7.1
328.10742	1.1
328.14410	1.6
329.11810	1.8
330.12543	1.9
330.16095	1.6
335.26114	1.8
336.26141	6.5
340.10992	1.6
342.12476	2.7
343.13068	2.1
344.14041	2.8
345.14865	1.0
346.15298	1.1
348.13614	2.3
356.13965	1.8
357.14951	2.3
358.15387	3.9
360.16898	1.2
369.15192	0.9
370.15506	2.7
372.17151	3.2
373.18256	1.6
374.18961	1.2
376.16776	1.5
384.13373	1.1
386.18860	2.2
403.16165	0.9
416.16498	1.1
418.17545	3.3
421.17380	1.1
423.18347	0.9
431.18671	1.8
436.19235	1.3
437.20016	1.5
446.17480	1.4
447.22339	1.1
450.21481	1.1
451.17538	1.2
462.24326	2.5
463.21381	0.9
465.18484	6.4
475.21167	1.3
477.19064	1.5
478.20004	3.3
479.20685	4.1
480.21732	2.9
481.22144	1.1
489.23016	1.3
490.19852	5.0
492.21741	1.6
493.22922	4.0
494.23111	1.8
507.23749	3.6
508.21249	1.9
509.25577	1.0
517.22778	2.3
535.23456	12.6
539.22748	1.8
541.24585	1.9
553.24487	53.1
563.22461	1.9
569.27734	1.9
581.23987	40.3
595.25317	1.5
613.26599	100.0
614.27106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
57.07065	0.7
62.86621	0.5
63.85865	0.5
67.05491	1.9
69.07068	0.7
79.05488	1.2
81.07040	1.1
83.08631	0.8
91.05450	0.7
92.54363	0.6
93.07026	1.3
95.08615	1.6
98.98460	0.6
100.06520	0.6
103.74741	0.6
105.07036	0.7
109.10165	1.0
113.65294	0.5
117.07034	0.5
118.06556	2.3
119.06877	1.0
119.08582	1.0
121.10152	0.6
122.09662	0.7
123.11734	0.7
125.00018	3.6
132.08080	1.2
144.08098	6.0
145.08469	0.8
145.10088	0.6
146.09650	1.3
158.09686	2.0
159.10332	0.9
162.09167	1.0
172.11290	1.8
176.14360	9.5
177.11433	0.7
177.14705	4.3
183.09012	0.7
189.10222	1.4
202.15918	38.7
203.16269	24.8
209.10760	1.0
210.11539	0.6
218.08224	0.6
220.16974	37.8
221.10764	1.2
221.17300	23.3
222.11497	1.0
223.12340	0.9
229.58849	0.5
234.11652	0.6
235.12305	1.4
236.13153	0.6
237.13751	1.5
249.13918	1.3
251.15488	0.9
261.13937	1.0
262.13348	0.8
263.15451	0.7
273.13824	0.6
276.11215	0.7
278.12897	0.6
288.15283	0.6
290.12988	0.6
299.14880	0.7
300.13593	24.0
301.13922	17.0
318.12778	0.5
318.16043	2.4
326.16907	0.5
328.18289	0.7
339.16385	0.9
340.18079	1.1
350.16620	0.7
351.16327	0.9
352.18060	1.3
353.17731	3.1
354.18829	1.8
355.19812	0.8
363.17081	0.6
364.17853	0.5
365.18015	2.2
366.19055	1.6
367.15637	0.6
367.19434	5.1
368.16592	0.6
368.21005	1.2
369.16885	0.8
369.21301	0.8
377.17917	0.7
379.19675	1.2
380.20493	1.1
381.17007	1.6
381.21222	3.1
382.17664	0.9
382.21982	1.2
383.18182	0.9
383.22549	2.2
393.21225	0.9
394.21924	0.9
395.18625	3.1
395.23032	1.3
396.19458	0.9
397.20419	3.5
407.18698	1.4
408.19888	1.2
409.15643	0.7
409.20447	5.0
410.21729	2.8
411.17239	1.0
411.22229	6.3
412.22574	1.8
421.20377	2.0
422.21161	3.0
423.22147	4.3
424.22665	2.1
425.19684	8.6
427.21161	0.8
435.21860	1.4
436.22717	0.9
437.24332	2.7
438.20404	3.7
439.20776	7.1
440.22195	6.9
451.21365	0.9
453.23285	3.3
454.23981	0.9
455.25534	2.6
456.21329	3.0
465.23523	0.7
466.20087	0.8
467.24298	1.7
469.22769	4.1
481.22256	1.7
483.24652	11.4
484.24905	7.3
488.59045	0.6
495.23935	2.9
496.24557	1.9
497.21445	7.4
498.22800	1.3
509.25671	1.5
511.23441	3.6
512.24139	4.4
527.26691	11.7
537.24963	1.2
542.21399	1.1
543.26630	0.7
553.24536	0.8
569.27600	16.8
570.24774	11.7
571.25543	91.5
572.25940	1.3
585.27557	0.9
595.39008	3.1
612.39911	1.4
613.26575	100.0
613.40540	25.8
614.26855	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03937	2.5
55.05265	1.2
55.05509	13.5
57.03441	5.0
57.07069	3.1
65.03942	1.6
67.05504	40.8
69.07064	12.6
70.77219	2.1
71.04990	1.8
71.08637	1.5
75.13057	0.6
77.03935	0.9
79.05489	23.7
81.07054	45.8
82.18953	0.7
82.50059	0.7
83.05005	1.6
83.08622	7.6
85.06538	0.9
91.05473	17.1
93.07042	25.6
95.04975	2.3
95.08604	37.9
96.59389	0.7
97.06524	2.9
97.10168	4.1
99.08091	2.0
105.07024	18.0
106.84884	0.7
107.08586	18.7
109.10156	17.6
111.08113	1.3
111.11739	0.8
117.07018	8.1
119.08576	18.0
121.10144	14.2
123.11695	7.3
125.09643	1.3
129.06987	3.7
131.08571	15.0
133.10132	16.8
135.11690	11.2
137.09612	1.0
137.13261	2.1
143.08571	4.2
145.10120	15.2
146.41696	0.7
147.11685	11.3
149.13248	6.3
151.14835	1.6
155.08594	1.5
157.10062	5.5
159.10428	1.3
159.11679	10.2
161.13268	6.9
163.11200	0.7
163.14813	2.9
169.10153	1.7
171.11668	4.5
173.13258	8.2
175.14743	3.5
177.16422	1.4
179.14279	1.4
183.11697	2.3
185.13237	4.1
187.14789	4.3
189.16388	1.7
197.13315	1.8
199.14899	2.1
201.16489	2.5
203.17982	1.3
209.13208	0.7
213.16454	1.5
213.76430	0.8
215.18019	1.4
217.19514	0.8
227.18040	1.7
229.19536	1.2
231.21117	1.2
241.19518	2.4
243.21053	0.9
255.21310	1.1
259.20618	5.3
261.22168	8.8
263.23755	1.2
277.21655	1.7
287.23471	1.2
287.84326	0.8
295.22812	0.9
309.24075	1.0
313.25418	1.1
315.26996	1.1
323.25568	1.2
333.24176	4.4
335.25787	11.3
337.27393	8.0
347.25748	1.3
349.27756	1.3
356.00034	0.8
422.78473	0.9
435.31036	0.9
477.35696	0.8
503.37164	1.8
517.38934	1.0
521.43524	4.4
529.38409	1.2
539.44366	2.8
543.40588	1.4
595.47131	9.8
613.48248	100.0
614.48383	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	613.4824
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
53.03944	2.5
55.05271	1.1
55.05516	16.4
57.03442	4.9
57.07081	3.1
65.03938	1.6
67.05508	43.9
69.07070	16.8
69.80634	1.9
69.81024	1.6
71.04995	1.4
79.05499	28.0
81.07061	47.9
83.04992	1.8
83.08619	9.1
85.06548	1.8
91.05486	22.2
93.07049	36.6
95.04976	2.6
95.08611	45.8
97.06539	3.3
97.10178	4.5
99.08119	0.9
103.05489	0.9
105.04479	0.7
105.07034	22.6
107.08599	22.7
109.10158	21.2
111.08127	1.7
115.75777	0.7
117.07019	8.6
119.08588	22.0
120.35192	0.8
121.10146	18.3
121.11035	0.9
121.86913	0.8
123.08073	1.2
123.11716	7.2
125.09644	1.4
127.59205	0.7
129.07001	4.3
130.07774	0.9
131.08577	17.0
133.10139	18.2
135.11696	12.0
137.13290	3.2
139.11140	1.2
143.08551	6.8
145.10133	18.7
147.11697	12.5
147.12813	1.1
149.09676	1.3
149.13274	10.5
151.14763	1.2
155.08556	2.1
157.10150	6.3
159.11693	14.8
161.13258	9.4
163.14838	3.1
165.16371	1.2
169.10114	1.9
171.11696	6.7
173.13280	9.1
175.14821	4.7
177.16377	2.0
183.11690	1.7
185.13303	5.0
187.14861	6.6
189.16486	2.7
191.17981	1.2
195.11804	0.9
197.13313	1.8
199.14856	3.0
201.16441	3.5
203.17920	0.8
211.14883	1.5
213.16531	1.7
215.17987	1.9
217.19482	0.9
219.03763	0.7
223.14793	0.8
229.19640	1.5
231.17546	0.9
231.21017	1.6
237.16408	0.8
241.19556	2.9
243.21176	3.1
245.22774	1.0
257.19040	0.8
259.20572	8.0
261.22162	10.1
263.23752	1.6
273.22067	1.6
275.23874	0.9
279.23273	1.7
287.23892	1.0
295.22562	0.7
299.23569	1.1
303.23407	0.8
315.23071	0.8
315.26721	1.0
317.24945	1.0
333.24295	5.7
335.25809	14.7
337.27405	8.9
341.29016	0.8
343.26477	0.8
349.27481	1.0
355.30060	1.2
385.32339	0.7
477.35767	0.8
489.35596	1.5
503.36783	1.3
503.43158	0.9
517.39447	1.0
521.43402	3.8
529.39044	1.6
531.40509	1.1
539.44604	2.5
543.40363	1.4
595.47314	13.8
596.47321	0.8
613.48273	100.0
614.48828	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	8.9
57.03424	6.2
57.07063	4.7
64.85535	1.8
67.05508	26.1
69.07072	15.7
70.06622	4.3
71.08627	3.2
71.26812	2.4
71.54120	2.4
78.51414	2.0
79.05490	9.1
81.03429	3.7
81.07061	33.0
83.04984	2.5
83.08629	11.9
83.45116	2.0
86.93827	2.4
88.07615	7.8
91.05479	8.4
93.07047	14.0
95.04962	4.3
95.08614	13.6
97.06516	3.1
97.10147	6.1
102.09155	3.6
105.07054	11.3
107.08588	7.5
109.10170	12.4
116.63116	2.5
117.06992	2.6
119.08602	10.1
121.10132	9.4
123.08053	3.2
123.11725	2.5
125.09634	2.3
125.72260	2.0
130.16171	2.0
131.08601	4.8
133.10162	5.7
135.11696	2.7
138.45114	2.1
143.08566	2.6
145.10138	5.7
147.11670	5.4
149.02333	12.8
157.10077	4.8
159.08060	2.7
159.11665	3.6
167.10690	2.7
175.11150	3.7
175.14827	2.3
179.31842	2.3
183.11609	2.6
193.04971	18.1
193.12250	2.7
211.13271	3.3
221.15390	2.4
227.12738	4.4
256.26361	11.6
337.27377	100.0
341.06451	3.0
385.09186	15.2
614.24170	2.9
614.33105	37.3
614.42041	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	614.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.4
57.03425	0.5
57.07083	6.4
58.06604	2.4
61.92143	0.3
65.03939	1.0
67.05505	2.0
68.04995	0.5
69.07054	0.8
70.06600	15.9
70.97715	0.4
71.08643	2.4
72.08160	0.4
74.06078	0.4
79.05488	1.5
81.03387	0.3
81.07065	2.1
84.08155	0.3
85.10176	0.8
88.07641	19.5
91.05476	0.9
93.07039	1.4
95.08621	1.6
98.98520	0.4
102.09190	16.2
104.02619	0.4
105.03387	0.5
105.07053	0.5
107.08598	0.8
109.10165	0.4
119.08613	0.3
121.02910	0.4
121.10119	1.0
131.08577	0.5
135.11696	0.4
136.93161	0.6
147.04414	0.6
149.02356	40.2
154.94185	1.2
172.95280	1.0
175.03944	0.7
193.04984	47.9
212.23692	0.3
219.06581	1.2
225.05515	0.9
228.97797	0.4
256.26370	38.2
257.26703	0.3
269.04465	1.4
297.03900	2.1
313.07159	2.3
313.10559	0.4
316.99280	0.4
335.00327	0.3
335.25882	3.1
336.26306	0.5
337.26581	0.6
341.06586	10.2
359.07623	5.6
385.09204	47.5
471.18289	0.9
541.00433	0.4
541.12421	0.3
596.31213	0.4
614.33264	100.0
615.33679	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35558	0.9
53.03945	3.3
53.12630	1.3
53.46077	1.2
55.01862	3.9
55.05513	31.9
57.03441	12.5
57.07082	6.7
59.04992	4.5
65.03925	2.8
67.05508	74.1
68.05828	1.4
68.71947	1.3
69.03414	2.6
69.07069	15.8
71.04974	4.7
71.08632	3.5
71.53761	1.8
79.05495	36.3
81.03423	2.6
81.07058	51.1
83.04967	5.4
83.05414	1.2
83.08627	11.6
85.02914	11.1
85.06536	3.6
85.10184	2.6
87.04472	12.5
89.06034	100.0
91.05482	20.8
92.05750	1.2
93.06480	2.3
93.07047	34.4
95.04961	4.2
95.08614	32.0
97.06527	4.2
97.10171	18.6
99.08093	1.5
105.07036	15.4
107.05017	1.9
107.08595	21.2
109.06527	3.0
109.10165	43.4
110.10509	1.3
111.08119	2.1
117.07015	5.2
117.09116	1.4
118.94854	1.3
119.08585	13.7
121.06502	1.7
121.10149	15.5
123.08037	1.7
123.11711	5.0
125.09622	17.8
129.06979	2.4
130.08620	3.4
131.07027	1.6
131.08545	10.2
133.08603	57.2
133.10092	9.4
135.08025	2.2
135.11684	8.1
137.09601	3.0
143.08536	2.6
143.10649	2.5
145.10132	8.2
147.08067	1.8
147.11681	5.5
149.09596	2.7
149.13257	5.6
151.07515	1.5
151.11180	1.4
155.10565	1.5
157.10081	3.6
159.08034	1.4
159.11652	6.1
161.13260	3.5
163.11122	2.5
163.14844	1.7
167.08543	1.8
167.10725	1.4
171.11658	2.1
173.09555	1.3
173.11731	13.3
173.13251	4.9
175.11157	1.8
177.11235	21.2
181.10103	1.5
183.11659	1.4
185.13239	2.5
187.14772	2.3
193.12198	1.4
195.11713	1.2
197.13307	1.5
199.11476	1.7
199.13301	11.3
207.13809	1.5
209.11797	2.1
221.13606	6.2
221.15579	2.5
225.11272	1.2
227.12767	4.2
229.14330	31.4
233.15327	2.3
243.21068	2.8
245.13612	1.6
247.16975	1.5
261.22107	7.6
265.16336	1.9
269.64645	1.4
283.17490	2.7
301.16467	10.9
327.20001	5.4
335.25821	52.9
352.04150	1.2
363.25391	1.4
371.22803	3.9
379.22470	1.5
397.23801	5.7
415.25406	33.6
476.84842	1.5
477.35501	6.4
489.35764	9.5
490.35516	1.7
503.37387	1.9
529.38800	4.2
534.33191	5.6
561.37543	3.9
599.35767	1.3
614.39258	4.6
614.48627	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	614.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.5
55.01860	4.6
55.05516	42.8
57.03440	20.6
57.07078	8.6
59.04997	5.0
65.03939	4.8
67.05508	100.0
69.03423	5.3
69.07075	20.7
69.22184	8.6
69.22606	6.4
71.04990	3.9
71.08629	5.0
73.06570	1.5
79.05499	51.2
81.03407	3.6
81.07066	61.6
83.04985	7.8
83.08622	19.1
85.02906	12.2
85.06541	4.4
85.10194	2.3
87.04465	13.7
89.06036	69.4
91.05482	31.6
93.07050	43.4
95.04971	10.2
95.08612	41.2
97.02911	2.1
97.06519	4.3
97.10176	20.5
98.20752	3.6
99.08076	1.9
103.03930	2.1
105.07037	24.2
107.04987	2.8
107.07090	1.9
107.08600	28.7
109.06522	5.1
109.10167	44.9
111.08077	3.8
117.07013	7.8
119.08585	26.3
121.06508	4.6
121.10152	26.4
123.08058	6.9
123.11712	3.8
125.09633	21.5
128.06163	2.3
129.07024	4.7
130.08650	2.0
131.07079	2.0
131.08577	13.9
133.06465	1.7
133.08612	45.0
133.10114	12.8
135.08058	5.4
135.11678	12.2
137.09624	6.4
137.13142	1.9
139.11182	2.7
143.08566	7.1
143.10646	4.1
145.06500	3.3
145.10124	13.9
147.08070	8.7
147.11671	8.4
149.09618	5.0
149.13252	6.3
151.07544	2.1
151.11208	2.7
153.12794	2.6
155.08600	3.0
155.10693	5.7
156.09294	3.5
157.10144	7.3
159.08080	4.6
159.11697	9.1
161.09601	4.7
161.13245	3.1
163.11182	5.1
163.14893	3.0
165.09109	3.7
167.10709	2.7
169.10059	3.0
171.08078	2.0
171.11710	5.6
173.09624	4.8
173.11757	12.5
173.13315	6.4
175.11186	6.0
175.14757	2.9
177.11244	18.7
179.08560	2.2
181.10146	3.4
181.12206	3.0
183.11716	4.1
185.13234	4.1
187.11186	2.7
187.14781	3.1
189.09094	3.6
189.12744	3.4
190.13602	1.8
191.10739	2.3
193.10226	2.1
193.12125	3.1
195.11771	3.9
197.09561	1.9
199.11292	3.4
199.13290	9.5
201.12822	2.2
203.14282	3.3
207.11642	2.2
208.35257	1.8
209.11635	2.6
209.13390	3.0
213.12750	4.8
215.10692	2.6
217.12225	4.1
221.13612	6.3
221.15549	7.5
225.16360	1.7
227.12796	5.0
229.14319	37.0
233.15340	7.3
234.16223	2.9
243.21143	2.9
245.13721	1.6
247.16946	3.7
260.67444	1.7
261.22104	9.5
263.14246	2.2
265.16245	2.2
271.17084	2.5
283.17447	2.9
298.19351	2.4
301.16412	14.6
317.24698	2.4
327.19910	3.5
335.25833	78.8
337.26682	1.7
362.84235	1.9
363.25409	2.7
369.53677	1.6
371.22903	3.0
379.22678	7.2
397.23788	17.6
410.03113	1.7
415.25369	29.8
459.34729	2.5
477.36066	10.9
489.35843	12.7
534.33246	15.1
561.37781	4.3
570.28223	2.6
572.25623	5.7
579.38397	1.9
581.36359	2.2
596.38153	4.1
599.37201	6.7
614.27795	7.6
614.39294	14.5
614.47894	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	614.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.4
55.01862	3.5
55.05513	45.6
57.03438	16.7
57.07069	8.5
63.33685	2.1
64.99789	2.6
65.03907	3.4
67.05507	100.0
69.03436	2.9
69.07076	19.7
71.05004	3.7
71.08615	4.4
71.53724	2.9
79.05495	50.1
81.03404	4.7
81.07061	64.3
83.04986	8.2
83.08619	19.2
85.02898	13.1
85.06546	4.5
87.04467	9.8
89.06038	32.6
91.05495	31.5
93.07047	48.4
95.04957	6.8
95.08617	47.5
97.06555	4.2
97.10173	24.7
103.03899	2.7
105.07032	19.2
107.08589	32.4
108.57568	2.9
109.10160	54.6
111.08067	2.8
117.07006	7.5
119.08579	15.9
121.10146	23.2
123.11719	7.0
125.09635	20.0
131.08582	9.8
133.08603	20.8
133.10129	11.2
135.11707	10.3
137.09647	3.0
139.11194	4.2
143.10677	4.4
145.10135	9.1
147.11694	7.0
149.13202	3.9
155.08624	4.2
155.10718	4.0
157.10138	2.9
159.07944	2.5
159.11723	5.8
161.13210	3.1
163.11198	7.2
171.11766	3.1
173.11754	11.4
173.13205	5.7
177.11232	9.9
181.12259	3.8
187.14806	4.6
199.11267	2.5
199.13260	10.5
217.14349	3.2
227.12723	5.6
229.14320	30.0
233.15532	3.3
243.21178	4.6
261.22192	10.3
265.15802	3.0
301.16690	14.3
335.25803	87.9
355.19141	3.1
362.26358	3.5
415.25397	9.5
477.35678	10.9
489.35675	7.4
561.37842	4.7
579.38818	3.4
611.72235	2.9
614.40039	5.8
614.49261	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	614.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.4
55.01868	3.6
55.05513	26.8
57.03439	17.7
57.07070	10.0
59.55407	2.3
61.88011	2.1
62.59391	1.8
63.34072	2.0
67.05511	58.8
67.17989	2.3
69.03432	3.3
69.06723	3.6
69.07071	29.9
71.05004	2.8
71.08642	4.0
71.52655	3.2
74.86878	2.1
79.05496	35.4
80.34006	2.6
81.03421	75.4
81.07060	73.1
83.04986	10.1
83.08158	3.4
83.08622	28.0
85.06555	4.1
89.06039	24.3
91.05480	33.0
93.07051	34.3
94.24695	2.4
95.04966	34.5
95.08614	47.4
97.06556	6.6
97.10182	12.3
99.08108	2.9
105.07037	28.9
107.04984	6.2
107.08609	20.9
109.06524	8.8
109.10156	24.4
111.04387	2.6
111.08076	5.8
113.06022	3.7
115.05460	3.4
117.07029	9.6
119.08595	29.2
121.06511	6.8
121.10155	21.1
123.08068	8.1
123.11698	5.8
125.05959	3.2
125.09646	3.9
128.06245	4.8
129.07011	14.8
130.07849	3.0
131.08574	16.8
133.06494	5.6
133.08658	15.2
133.10103	15.3
135.08044	8.4
135.11737	6.1
137.05963	2.6
137.09628	3.5
142.07808	3.2
143.08578	14.7
145.06569	2.8
145.10152	14.7
147.08115	6.0
147.11719	15.8
149.09680	6.5
149.13251	3.7
155.08583	4.8
157.10152	20.3
158.10776	2.4
159.11674	6.9
160.08920	3.8
161.09579	4.7
161.13292	4.3
163.11201	5.8
163.14926	4.0
165.12859	3.3
167.08649	3.1
169.10121	3.6
171.11705	7.9
173.09645	3.6
173.13269	5.3
175.11230	8.0
177.11234	6.3
181.10191	3.5
181.12152	2.9
183.11719	6.2
185.09654	4.4
185.13297	4.7
187.11214	3.8
193.10529	4.2
193.12251	22.7
195.11731	4.7
197.13260	5.0
199.11247	4.0
205.12358	3.7
206.11012	2.8
207.11787	5.4
209.13307	3.1
210.10339	3.2
213.12793	3.0
220.12405	2.8
221.13504	3.3
225.12799	2.3
227.12630	3.2
235.14862	3.3
253.15863	4.6
257.99179	2.4
259.39709	2.5
263.23730	5.5
267.15930	100.0
273.18427	7.4
278.22058	3.4
284.72964	2.5
286.19296	2.4
303.26840	6.4
305.17563	7.1
323.18701	4.1
337.21436	3.3
337.27399	83.7
352.23917	11.4
384.22867	16.9
409.19965	2.6
415.25433	7.9
437.34070	2.8
455.34885	9.5
473.36411	3.2
476.29138	9.0
529.38940	87.7
530.39056	2.7
534.33173	5.8
547.40002	36.5
554.28101	5.1
561.68585	2.5
570.20081	2.6
582.27734	14.8
596.47675	2.6
614.30145	37.5
614.39545	37.8
614.48431	15.5
634.85016	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	615.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.2
55.05518	22.6
57.03433	3.9
57.07068	10.5
59.05006	5.7
65.03939	6.9
67.05506	36.3
69.03436	20.8
69.07069	27.6
69.58990	14.6
69.59398	5.2
79.05498	45.3
79.83546	3.0
81.03427	4.1
81.07063	40.5
82.02885	2.8
83.04999	16.5
83.08631	18.0
85.06549	9.3
91.05489	65.6
93.07048	83.0
95.04970	24.0
95.08615	43.2
97.06528	14.3
103.05463	6.2
105.04570	3.8
105.07037	87.1
107.04946	11.2
107.08601	84.5
109.06516	22.5
109.10155	38.1
111.04457	5.8
111.08100	6.1
113.09698	4.5
115.05457	12.7
116.06216	4.9
117.07027	21.3
119.04926	5.2
119.06019	4.5
119.08592	84.5
121.06506	34.5
121.10151	98.3
123.08102	19.1
123.11733	12.7
125.05967	5.5
125.09641	12.2
128.06203	14.1
129.07008	24.6
130.07806	5.9
131.08578	68.5
133.06485	13.3
133.07513	3.6
133.10143	57.4
135.08067	24.0
135.11700	18.0
137.09616	7.4
139.11150	7.0
140.45085	3.3
141.06985	11.7
142.07755	18.4
143.08572	48.9
144.05704	3.1
144.09370	6.7
145.06471	13.0
145.10130	70.5
147.08046	32.8
147.11682	26.3
149.06027	5.4
149.09624	36.4
149.13303	3.8
151.07555	16.0
153.07027	7.2
155.08592	22.3
155.10616	5.6
155.37833	3.0
156.09335	18.6
157.10135	48.3
158.10916	9.9
159.08055	45.9
159.11679	31.4
161.05884	3.5
161.09613	12.2
161.13283	7.8
163.07585	14.5
163.11197	13.3
165.07001	5.4
165.09103	7.9
166.07808	5.0
167.08572	11.0
167.10689	69.8
168.09346	4.5
169.10130	31.0
170.10883	10.9
171.08064	8.5
171.11702	35.7
172.12531	3.8
173.09633	18.6
173.13298	35.5
175.07573	6.7
175.11227	16.4
175.14857	15.5
177.09166	10.7
179.08546	8.8
180.09273	7.1
181.10146	19.1
181.12262	9.7
182.07237	5.2
182.10887	11.8
183.11726	25.9
184.12465	4.0
185.09590	15.4
185.13281	11.1
187.07631	20.3
187.11224	13.2
187.14835	28.9
189.12788	13.3
191.14339	9.5
192.09427	5.2
193.10124	13.6
194.10905	7.3
195.11725	22.9
196.12500	5.3
197.09656	11.9
197.13249	20.8
198.10437	4.4
199.11214	11.8
199.14815	13.4
201.09123	5.7
201.12791	5.3
203.14299	7.9
205.10236	4.4
206.10916	5.2
207.11702	16.6
207.13629	6.2
208.12508	6.4
209.09639	8.2
209.13258	16.8
209.15199	4.3
210.13995	3.6
211.11183	14.4
211.14766	18.0
213.12726	10.2
213.16458	14.9
215.10773	3.8
215.14336	13.0
217.12308	3.7
217.15862	3.7
219.11682	8.1
220.12411	4.8
221.13235	8.9
221.15401	19.1
223.11169	10.4
223.14813	12.3
224.11842	3.8
225.12784	13.0
225.16376	11.1
227.10686	7.4
227.14389	6.3
231.17566	6.5
233.13292	5.4
233.15367	81.5
234.10313	3.5
235.14874	8.1
237.12779	8.9
237.16478	8.9
239.10612	3.8
239.14410	7.3
239.17957	8.1
241.12363	4.7
243.11653	4.0
244.12639	4.0
246.14204	4.3
247.14746	5.2
247.17064	4.7
249.12822	4.5
249.16467	6.6
251.14304	5.9
251.18045	7.3
253.12294	9.9
255.17488	9.5
262.16980	4.1
263.17844	5.2
267.17386	10.0
269.19034	14.0
273.18597	9.8
275.14313	4.4
279.17603	4.6
281.18997	5.3
285.18549	7.5
293.19083	4.6
297.18539	5.6
299.20187	6.0
301.15851	4.3
309.18533	10.8
311.20233	5.9
311.25677	4.4
327.19385	4.3
335.20016	4.2
343.73093	3.3
375.23096	5.0
391.22818	4.5
393.24423	8.8
415.26523	4.9
472.40698	3.4
478.20319	4.7
523.32257	5.4
536.20544	9.8
537.21442	15.8
544.66174	3.8
561.37317	4.9
579.38416	20.4
597.39496	68.3
615.24994	35.1
615.40625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
56.96566	19.5
57.07053	0.7
67.05507	2.4
69.03430	0.6
69.07074	1.0
69.38788	0.9
69.39196	1.8
71.95256	0.7
74.97606	0.6
79.05498	1.7
81.07056	3.1
81.99271	0.4
83.04996	0.7
83.08597	0.7
84.96040	15.4
91.05474	2.5
93.07046	3.8
95.04980	1.1
95.08621	2.3
97.06583	0.5
98.97588	15.1
102.97082	1.4
105.07033	3.7
107.08617	2.0
109.06521	1.2
109.10155	1.3
110.97568	4.4
112.99162	1.6
113.42507	0.4
114.27513	0.4
115.05535	0.5
116.98612	5.6
117.07038	1.0
119.08583	3.2
121.06514	0.6
121.10155	2.8
122.10517	0.5
122.97446	0.4
123.08099	1.8
123.11738	0.4
124.99133	6.8
125.98657	0.4
126.97009	0.4
128.98601	3.5
129.07011	1.0
131.00171	2.4
131.08563	1.7
133.06480	0.5
133.10144	2.0
134.99648	0.9
135.08057	1.1
135.11694	0.7
136.92154	0.6
137.09634	0.9
139.00708	1.0
140.00198	0.9
140.98618	3.0
141.07010	0.5
142.07745	0.4
143.00168	13.4
143.01279	0.7
143.08580	1.5
144.09282	0.5
144.98085	5.5
145.10127	2.3
146.99672	1.7
147.08101	1.3
147.11739	1.0
149.01259	3.0
149.09648	0.7
151.07552	2.0
154.93294	0.6
155.00130	2.4
155.08603	0.4
156.09303	0.6
157.01750	0.6
157.10146	1.4
158.99660	2.3
159.08171	0.5
159.11729	1.9
160.08731	0.4
161.01225	8.1
161.09578	0.4
162.99159	3.7
163.11182	0.6
164.98643	0.7
165.09088	1.8
166.01833	1.3
167.02315	0.8
167.10713	2.5
168.11044	0.5
169.10104	0.6
171.03383	0.6
171.11690	1.5
172.02740	0.4
172.94354	1.0
173.01244	2.6
173.09621	0.6
173.13281	0.8
175.02769	0.6
175.11272	0.5
178.01843	0.4
179.02261	0.4
180.94786	2.7
181.12289	0.5
182.01239	0.4
182.99657	6.6
183.11708	0.7
184.02837	0.6
185.01263	1.0
185.13240	0.6
186.00821	0.6
187.11272	0.6
187.14839	0.8
189.00813	0.6
189.12767	0.9
190.95331	0.7
191.02260	0.8
191.10738	0.4
191.14252	0.6
193.10196	0.6
194.10931	0.4
195.11757	0.7
196.02742	0.6
197.13219	0.5
198.95844	5.0
199.14801	0.4
201.00719	8.2
203.02348	0.6
203.14384	1.0
206.01248	0.4
207.11864	0.8
207.13806	0.9
212.97334	0.5
214.95256	0.4
216.96982	0.6
217.03925	1.0
219.01750	1.9
221.15334	3.8
221.97282	0.5
222.15723	0.5
222.95866	0.9
224.02393	1.3
224.97479	1.6
228.96976	1.5
233.15401	0.8
240.96877	3.4
242.98567	1.1
246.95647	2.5
246.97453	0.7
246.98232	0.9
254.98494	0.7
258.97968	0.9
263.98663	0.6
264.96896	9.2
279.12802	0.4
282.97971	15.8
286.19266	0.9
287.98560	0.9
296.99551	0.9
300.99014	9.6
301.02274	0.6
305.99646	1.8
317.17889	21.3
324.00717	0.8
335.18872	6.2
357.01834	2.6
358.20590	2.9
375.02679	2.3
391.22083	1.9
398.04453	0.6
425.29807	0.4
557.20923	0.7
599.22314	1.9
599.40668	1.2
616.40698	1.2
617.23053	100.0
617.41760	4.8
618.23279	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
57.03431	0.7
61.66931	0.5
64.55635	0.5
67.05514	6.4
69.07065	1.8
70.08984	0.6
70.59402	0.6
74.18045	0.5
79.05502	3.1
81.03419	0.7
81.07059	5.9
83.08634	2.6
91.05491	3.2
93.07072	3.6
95.04998	0.6
95.08609	4.1
97.06533	1.0
105.07019	3.0
107.08617	2.6
109.06512	1.2
109.10172	2.2
119.08606	3.0
121.06477	0.6
121.10146	2.6
123.08079	1.0
123.11665	0.7
131.08638	1.4
133.10136	1.3
135.08078	0.9
135.11705	0.7
137.09604	0.5
139.11127	0.5
143.08580	0.7
145.10162	1.3
147.11717	1.2
149.09599	0.9
149.13246	0.9
157.10167	1.5
159.11710	0.9
165.09047	0.8
173.13260	0.7
183.11739	0.8
201.36502	0.5
203.14438	0.6
217.30705	0.6
221.15340	1.9
243.78459	0.7
283.15164	11.2
303.15765	0.9
321.17035	0.8
335.25882	0.8
339.17899	2.3
412.32782	0.6
541.19745	0.6
553.63342	0.6
581.39020	0.6
599.40356	1.0
617.40271	100.0
618.40759	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	617.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05511	3.4
57.03426	0.7
67.05505	6.5
69.07063	2.0
69.80012	0.5
71.52916	0.9
79.05501	5.5
81.07054	6.2
83.04981	0.9
83.08621	2.2
86.18987	0.5
91.05478	4.3
93.07051	5.9
95.04961	1.5
95.08612	5.4
97.06526	1.0
97.10188	0.9
105.07034	3.4
107.08607	4.7
109.06541	1.9
109.10152	1.9
117.07043	0.9
119.08617	3.2
121.10165	3.3
121.97353	0.5
123.08095	1.4
131.08577	2.2
133.06509	1.0
133.10132	2.1
135.08136	1.1
135.11655	0.9
137.06017	0.8
137.09642	1.0
143.08539	1.4
145.10207	1.7
147.07951	0.7
147.11668	1.4
149.09625	1.1
149.13295	1.0
151.07590	1.3
157.10101	1.3
159.11713	1.7
161.09662	0.7
171.11685	0.8
173.09624	0.9
173.13268	0.9
185.44778	0.6
189.11253	0.7
208.72435	0.7
221.15410	1.2
240.78886	0.6
259.20691	0.9
261.22198	2.4
275.16479	1.9
283.15158	10.2
287.16617	0.7
293.17599	2.3
303.15887	1.6
305.17465	0.8
321.17151	2.0
339.17734	3.6
452.76486	0.6
581.38293	1.6
599.39679	2.0
617.40277	100.0
618.40479	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.1
54.81328	2.8
55.01871	6.2
55.05504	7.5
57.03447	3.6
67.05493	10.2
69.03421	13.0
69.07077	14.0
70.06580	7.9
71.04998	8.3
71.52411	4.7
76.45193	2.8
77.60172	3.4
79.05495	18.2
81.03432	22.2
81.07053	33.2
83.04982	28.1
83.08617	7.2
85.02895	18.2
85.06530	5.1
86.09696	8.3
91.05479	17.0
93.07045	40.1
95.04973	14.1
95.08618	33.2
97.02885	10.7
97.06530	26.2
99.04450	15.6
105.07026	32.0
107.04959	4.8
107.08620	21.1
109.02905	24.8
109.06526	22.5
109.10144	6.7
111.04459	3.3
111.08051	15.2
113.05952	3.4
119.04921	3.5
119.08624	15.8
121.06509	50.0
121.10123	7.1
123.04430	5.0
123.08035	7.3
123.11684	7.8
125.05988	22.0
127.03918	26.0
127.07590	7.8
128.45854	2.8
129.07071	3.5
129.10217	3.9
131.08623	4.8
133.10150	15.0
135.08067	14.0
137.05984	4.0
139.07539	13.0
143.07034	17.8
143.08569	8.1
145.10147	3.6
147.04382	5.6
147.08063	4.1
147.11696	38.4
149.09624	3.3
151.11147	5.0
157.08629	5.7
157.10124	11.6
159.06546	8.8
161.05978	3.3
161.13245	10.4
163.03882	3.7
165.12802	14.8
169.12224	16.4
171.11710	14.0
173.09653	4.8
175.11160	26.4
176.11920	2.8
181.39903	2.9
184.08803	3.1
187.06010	5.4
189.12756	14.6
193.12236	26.8
199.11197	21.2
205.07094	5.9
207.13805	14.4
211.13280	24.0
217.12228	54.5
229.14359	9.3
235.13301	77.8
253.11748	5.0
253.14352	100.0
253.16858	5.7
271.15530	19.6
289.16476	5.0
306.92404	3.0
313.16626	4.3
335.22607	3.1
337.80042	3.7
353.10040	6.0
361.16409	3.5
379.17413	13.9
393.89178	3.0
397.18536	24.1
415.19498	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	618.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.2
55.05515	22.9
57.07061	11.1
58.01341	2.4
59.04988	4.2
67.05507	17.4
69.03420	7.1
69.07067	5.4
70.58434	4.2
70.58780	5.1
79.05499	20.8
81.07061	25.4
83.04980	6.6
83.08622	28.0
85.06532	5.9
87.04469	37.1
91.05489	25.7
93.07047	29.4
95.04978	19.6
95.08619	17.9
97.06516	10.5
105.07037	41.9
107.08597	38.8
109.06519	7.5
109.10142	9.4
111.08095	4.6
113.09632	4.8
117.07014	13.2
119.08587	43.2
121.06474	7.0
121.10146	21.3
123.08074	15.2
125.05928	4.3
125.09597	10.2
128.06187	6.1
129.07022	4.6
130.07793	3.8
131.08569	30.0
132.09273	2.9
133.06471	4.0
133.10126	22.0
135.08083	12.6
135.11668	7.2
137.09592	7.3
139.07513	3.3
139.11185	5.7
142.07753	11.9
143.08594	19.8
144.09331	7.7
145.10129	34.5
146.10844	2.6
147.08014	16.0
147.11703	7.2
149.09564	8.6
151.07538	6.8
155.08495	6.2
155.10609	4.2
156.09311	7.8
157.10126	31.8
158.10851	6.7
159.11697	19.7
160.08797	10.6
161.09619	7.2
161.13231	3.6
163.11151	7.2
165.09128	21.6
167.08575	5.4
167.65338	3.0
168.09360	3.1
169.10133	10.9
170.10933	3.4
171.08182	2.7
171.11647	17.9
172.12454	7.1
173.09633	6.5
173.13252	9.9
175.11191	12.0
177.12700	3.9
179.08679	2.5
180.09290	3.1
181.10139	8.1
181.12254	10.1
182.10892	2.8
183.11665	10.4
185.13268	9.3
187.11118	5.6
187.14774	3.3
189.12747	3.0
190.13483	7.9
193.12230	7.0
194.10971	2.6
195.11685	6.4
197.13254	8.5
199.11192	6.2
199.14838	4.6
201.12677	2.6
203.14291	12.2
207.13763	7.8
208.14552	9.7
209.13208	7.5
209.15254	3.2
211.11290	3.8
211.14764	7.6
213.12721	3.7
221.13411	3.4
221.15358	62.7
223.14793	3.3
225.14848	10.3
227.17896	3.1
231.14035	4.2
233.13161	3.6
233.15352	8.3
234.16063	12.8
237.12703	3.9
237.16432	3.7
247.16943	8.2
251.14499	2.5
267.17264	3.2
269.19138	3.6
271.16971	4.4
273.18506	4.7
274.19281	4.5
286.19305	8.7
287.20016	43.4
291.19473	6.1
299.20065	7.9
310.59628	2.7
311.20026	2.6
312.21146	3.2
319.20444	3.4
325.21570	11.0
329.21310	2.5
337.21655	5.5
339.22638	2.9
352.23935	69.4
365.24759	13.6
367.26102	3.2
378.25586	2.5
395.25562	7.0
426.27753	2.7
472.31723	10.5
525.35687	9.6
538.36554	100.0
539.37122	3.1
600.41888	3.1
603.40436	3.4
618.42554	28.7
619.44000	2.8
628.97882	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
55.01860	2.9
55.05519	20.9
57.07087	10.8
59.04987	3.2
67.05504	15.2
69.03423	8.4
69.07056	6.5
71.05000	3.1
74.56502	1.7
79.05499	17.5
80.06271	1.9
81.07066	27.1
83.04965	7.0
83.08624	28.7
85.06543	3.4
87.04478	60.3
91.05480	23.1
93.07057	31.8
95.04981	16.1
95.08613	20.9
97.06548	9.3
98.21521	4.3
105.07044	47.7
107.08603	29.5
109.06504	8.8
109.10176	11.5
111.04498	2.1
113.09686	5.0
115.05470	3.0
117.06997	10.8
119.08589	43.7
121.06516	8.2
121.10149	17.5
123.08081	18.4
123.11657	2.4
125.06011	5.2
125.09599	7.1
128.06184	5.6
129.07037	9.9
130.07791	5.9
131.08604	25.9
132.09357	3.3
133.06409	3.0
133.10138	21.0
135.08047	12.3
135.11697	5.7
137.09612	8.1
139.11165	5.1
142.07814	11.8
143.08583	24.4
144.09293	6.5
145.06453	3.0
145.10138	40.4
147.08055	16.6
147.11702	10.8
149.09630	7.6
149.13190	2.0
151.07530	5.5
155.08501	6.1
155.10594	3.0
156.09323	5.9
157.10153	40.7
158.10925	4.3
159.08099	3.8
159.11708	18.7
160.08868	10.0
161.09622	7.6
161.13263	4.9
163.11198	6.8
165.09149	24.3
167.08572	3.9
169.10130	15.4
170.10860	4.0
171.10173	3.7
171.11694	15.2
172.08765	2.5
172.12468	4.1
173.09581	4.2
173.13254	7.5
175.11179	8.6
175.14742	2.2
177.12814	2.4
178.09904	2.0
179.08508	4.0
179.14352	2.7
180.09373	3.2
181.10104	6.6
181.12222	12.3
182.10925	3.3
183.11697	12.3
184.12454	3.1
185.13243	8.3
187.11197	5.7
187.14876	3.0
189.12773	7.4
190.13481	3.7
191.10599	2.6
191.14325	3.9
193.10214	2.9
193.12173	4.3
194.10860	2.4
195.11702	8.7
195.13643	2.7
196.12579	3.1
197.09575	1.9
197.13223	9.1
198.13904	2.4
199.11183	5.0
199.14838	3.5
201.12782	5.6
203.14420	13.3
205.60677	1.9
207.11713	5.5
207.13803	7.5
208.12712	2.8
208.14531	9.8
209.13245	9.0
209.15067	2.6
211.11249	3.1
211.14839	5.4
213.12749	3.5
213.16502	2.2
219.12054	2.3
221.13251	5.2
221.15349	44.6
222.15796	2.6
223.14832	4.9
225.14604	10.0
231.13760	5.8
233.13228	2.3
233.15384	7.7
234.16138	10.2
237.12810	2.7
237.16309	2.0
239.14268	3.5
241.15715	2.2
247.17052	6.5
248.01003	2.0
251.17957	2.7
253.16000	2.7
259.16940	3.4
269.18842	2.3
271.17062	2.9
273.18561	4.0
274.11047	2.1
279.17401	2.6
280.92349	2.0
286.19370	5.0
287.20068	39.0
297.18353	2.0
299.20013	8.9
311.20258	2.7
312.20825	3.5
325.21582	11.2
329.21335	2.5
337.21503	6.2
339.23270	4.6
352.23984	58.2
353.24670	2.3
365.24655	13.4
367.26193	3.7
395.25821	6.1
462.08917	2.0
472.31689	9.2
524.34723	2.4
525.35333	8.0
538.36603	100.0
559.23431	2.5
600.41113	2.8
618.42499	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	618.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.5
54.16209	2.0
55.01872	4.2
55.05268	3.3
55.05517	49.0
56.72809	2.1
57.07075	8.7
59.05001	2.8
65.03931	3.1
67.05508	32.8
69.03439	12.7
69.07069	20.2
69.18142	22.4
71.04984	7.4
77.03925	2.9
78.16901	2.2
79.05070	3.4
79.05497	38.9
81.03415	4.0
81.07064	53.0
83.04993	18.5
83.08628	67.4
85.02940	2.5
85.06541	8.8
87.04471	4.9
89.06053	4.4
91.05489	63.9
93.06487	4.2
93.07051	63.6
95.04987	32.2
95.08614	35.0
97.06544	25.1
99.04459	6.1
103.05495	5.0
105.07040	100.0
107.04948	8.1
107.08607	74.4
109.06511	16.1
109.10156	30.9
111.04484	2.7
111.08077	6.6
113.09671	15.3
115.05469	7.1
117.07023	23.0
119.04961	2.3
119.08589	89.1
120.09384	2.9
121.06514	13.8
121.10152	59.1
123.08072	19.5
123.11708	8.3
125.09635	23.4
128.06218	16.8
129.07010	25.2
130.07779	11.5
131.08575	50.4
132.09338	5.2
133.06482	5.1
133.10141	54.5
135.08080	15.3
135.11688	11.5
136.06192	10.3
137.09624	8.3
139.11201	11.8
140.40460	2.2
141.07031	11.9
142.07788	24.5
143.08583	50.8
144.09372	15.4
145.06525	5.4
145.10138	78.1
146.07303	3.5
146.10887	2.7
147.08063	17.2
147.11703	23.4
149.09621	20.4
149.13292	3.5
151.07558	8.3
151.11176	3.7
154.07826	2.5
155.08565	21.7
155.10599	13.6
156.09363	21.3
157.10136	63.6
158.10861	6.7
159.08063	13.4
159.11696	42.2
160.08862	15.7
161.09641	15.4
161.13271	8.6
163.11214	13.0
165.07013	8.2
165.09100	4.0
165.12833	2.6
166.07832	5.1
167.08598	12.1
167.10667	22.9
168.09352	7.0
169.10136	30.9
170.10922	11.4
171.10266	3.5
171.11687	43.1
172.12415	4.0
173.09607	10.8
173.13332	17.8
175.11223	14.0
175.14803	2.6
179.08575	13.5
179.14314	6.3
180.09306	7.5
181.10118	23.8
181.12247	28.5
182.10913	13.6
183.08099	2.1
183.11719	31.5
183.13351	4.0
184.12460	6.0
185.09592	5.2
185.13248	21.5
186.14069	5.1
187.11169	8.8
187.14818	10.5
188.11803	3.8
189.12758	7.0
190.13515	4.2
191.14236	12.7
192.09370	5.9
193.10188	15.8
194.10899	8.9
195.11725	26.5
196.12444	10.8
197.09526	3.3
197.13280	38.3
198.14038	6.7
199.11177	6.5
199.14815	16.7
200.12016	2.8
201.12711	7.1
201.16489	2.5
203.14322	8.7
205.10107	3.4
206.10915	8.2
207.11705	18.9
207.13782	8.8
208.12479	10.2
208.14537	6.5
209.13300	27.7
209.15254	3.4
210.14001	6.7
211.11111	2.4
211.14856	23.5
212.15485	5.3
213.12820	8.4
213.16417	8.2
215.14272	19.9
217.10004	3.6
217.15889	3.1
218.10870	3.9
218.16632	3.2
219.11742	6.2
220.12469	5.2
221.13292	14.2
221.15417	28.4
222.13947	6.8
222.15936	3.2
223.14864	19.0
224.15497	2.4
225.12738	6.2
225.14867	20.1
225.16568	6.1
227.14317	8.8
228.14993	2.4
229.10048	2.8
231.11646	3.5
231.17513	3.0
232.12395	4.5
233.13206	9.0
233.15353	40.3
234.13974	5.7
234.16122	4.9
235.14822	13.1
235.16957	4.0
236.15550	2.3
237.12746	4.2
237.16560	13.4
239.14229	4.8
239.17915	4.4
241.15857	4.7
243.17372	2.3
245.13254	5.2
246.13989	4.1
246.16251	3.5
247.14769	7.7
247.16956	6.6
248.15623	2.7
249.16394	8.3
251.18080	4.4
253.15878	4.0
253.19543	4.8
255.17499	28.7
257.19098	4.3
258.14282	2.7
259.14740	5.6
260.15350	2.7
261.16370	10.1
263.17978	7.8
265.15854	3.2
265.19513	8.4
267.17419	6.8
268.18326	5.2
269.19000	7.1
270.19809	10.0
271.17398	2.4
271.20572	9.2
273.16150	3.3
273.18744	4.9
275.17838	3.3
277.19489	6.1
279.17450	3.6
281.19125	4.5
282.19785	5.6
283.20599	4.8
285.18582	5.1
286.19327	7.9
287.20215	4.5
289.19495	7.0
293.19110	2.4
295.20731	5.3
298.19363	3.2
299.20059	8.1
301.19144	2.8
309.22098	3.1
311.20044	7.2
322.22910	4.2
329.22397	2.4
334.23065	3.4
335.23883	2.7
337.25250	7.0
345.22101	2.4
347.23712	5.1
349.25403	4.5
360.24475	4.2
365.24661	9.4
367.26331	7.4
383.25864	19.4
399.26773	3.5
414.29163	5.2
429.31561	3.2
457.30917	5.4
490.34769	3.5
567.38007	3.6
582.39954	2.8
585.39209	2.8
600.41144	8.7
618.42755	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	618.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20027	2.5
53.03942	6.0
55.05272	3.7
55.05514	47.8
57.03435	3.9
57.07079	12.9
59.04992	4.5
60.58259	2.6
65.55396	2.7
67.05511	31.8
69.03423	15.2
69.07074	14.2
70.00159	11.2
71.04987	6.5
79.02175	2.9
79.05493	41.3
79.30557	2.7
81.07064	59.8
83.04991	22.1
83.08151	4.7
83.08620	63.9
83.09112	3.1
85.06541	12.1
87.04469	7.2
90.85960	3.2
91.05489	44.6
92.05818	3.4
93.06479	5.1
93.07047	69.1
95.04981	32.1
95.08614	38.7
97.06535	23.6
98.21547	2.7
99.04450	5.2
103.05495	6.9
105.07031	100.0
107.04964	7.3
107.08596	82.5
109.06512	17.8
109.10158	29.5
111.08075	8.2
113.09664	7.6
115.05428	5.0
116.06216	2.5
117.07038	24.3
119.08588	80.6
120.08851	3.6
121.06503	13.3
121.09337	4.0
121.10152	55.3
123.08068	24.7
123.11733	3.6
125.09640	21.0
126.10483	3.0
128.06212	14.1
129.07008	25.1
130.07796	8.0
131.08574	55.7
132.09286	6.3
133.06467	3.6
133.10136	56.8
134.11002	2.8
135.08072	18.6
135.11710	14.4
137.09619	12.7
139.11221	13.2
141.07001	9.2
142.07770	29.7
143.08566	52.6
144.09358	19.7
145.06467	6.3
145.10130	75.1
146.10776	4.3
147.08046	23.1
147.11700	25.8
149.09613	18.0
151.07567	8.2
153.06993	4.2
153.09129	3.5
154.07765	4.3
155.08606	25.5
155.10609	16.8
156.09364	20.1
157.10136	68.6
158.10902	15.1
159.08073	15.9
159.11705	40.7
160.08835	18.5
161.09650	13.5
161.13228	9.6
163.11159	15.4
165.06990	6.3
165.09134	16.9
165.12810	4.2
167.08571	12.5
167.10680	19.3
168.09351	7.7
169.10152	35.9
170.10921	13.1
171.08121	3.4
171.10269	4.8
171.11673	42.0
172.08827	3.5
172.12361	5.3
173.09644	12.0
173.13266	18.8
175.11172	16.4
175.14832	6.9
176.11877	3.3
177.12817	3.1
179.08571	11.7
179.10628	2.8
179.14357	4.8
180.09341	7.8
181.10135	18.8
181.12244	26.0
182.10863	7.9
183.08014	3.8
183.11731	35.9
183.13376	4.6
184.12469	7.5
184.68288	3.4
185.09671	4.2
185.13254	17.8
186.13979	5.1
187.11200	7.7
187.14767	13.7
189.12773	15.5
190.13518	7.8
191.14340	10.3
193.10115	11.0
193.12141	6.5
194.10918	11.9
195.11729	30.1
195.13527	4.6
196.12476	8.3
197.09660	2.9
197.13249	37.7
198.13890	5.0
199.11305	6.7
199.14804	14.6
201.12708	5.0
201.16360	6.8
203.14326	11.9
204.78929	2.8
206.10901	5.2
207.11667	19.5
207.13774	11.4
208.12469	8.7
208.14603	9.5
209.13249	24.6
209.15227	5.0
210.14006	6.8
211.11237	6.2
211.14844	21.7
212.15501	2.9
213.12813	8.2
213.16425	5.3
215.14378	13.8
219.11659	6.0
219.13719	5.2
220.12485	6.6
221.13223	9.8
221.15327	51.7
221.17360	4.8
222.15816	6.2
223.11278	3.7
223.14815	15.3
225.12775	5.2
225.14580	18.9
225.16678	6.9
227.14354	5.7
231.11754	3.3
232.12444	5.8
233.13290	4.6
233.15385	38.3
234.16066	11.0
235.14903	13.8
237.16582	12.9
239.17979	3.7
241.15942	5.2
243.11739	4.9
244.12514	3.2
245.13225	5.4
246.16179	5.4
247.14752	4.2
247.16994	9.0
248.15575	5.6
249.16383	12.5
251.18050	5.6
253.15891	3.8
255.17462	25.4
257.18997	5.2
259.14749	5.8
260.15704	4.2
261.16324	7.9
263.17889	9.2
264.18594	3.7
265.19382	4.2
268.18170	4.1
269.18958	3.5
270.19733	7.5
271.17236	3.1
271.20541	6.0
273.18524	7.7
274.19382	4.5
277.15747	3.1
279.17444	3.5
281.19055	5.5
282.19659	3.5
283.20389	4.0
285.18661	5.2
286.19199	9.2
287.20068	25.5
289.19321	4.4
291.19644	3.5
292.19989	4.5
293.18854	3.7
295.20752	4.7
297.18295	3.6
299.20151	10.0
307.20358	3.9
312.20850	4.2
313.21509	4.6
317.22412	3.4
325.21661	8.3
329.21301	3.6
337.25168	4.0
347.23364	4.0
348.24551	4.2
352.23978	39.9
360.24445	3.8
365.24869	13.9
367.26331	6.6
383.25806	10.3
417.27835	3.0
432.30045	3.5
457.30780	4.3
472.31467	4.6
525.35608	7.5
538.28644	4.0
538.36554	61.6
559.22809	3.6
582.40375	4.9
600.41309	12.7
618.42535	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	618.428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.0
55.01870	5.3
55.05519	40.3
57.07067	7.2
59.04995	4.5
65.03929	3.7
67.05511	31.6
69.03439	13.9
69.07065	18.6
69.34859	8.6
69.35284	10.8
71.04999	6.1
71.63136	2.3
79.05076	2.8
79.05502	39.0
80.06316	3.2
81.07061	52.2
82.12095	2.4
83.04988	15.7
83.08622	64.4
85.06547	10.5
86.09705	3.4
87.04459	4.5
91.05486	57.1
93.06483	4.5
93.07050	68.9
93.07635	4.1
95.04971	32.1
95.08619	37.4
97.06544	25.8
99.04439	6.6
103.05466	6.8
104.10757	17.6
105.04533	2.9
105.07037	100.0
106.64223	2.6
107.04961	6.8
107.08601	73.7
109.06536	13.7
109.10158	26.6
111.08074	8.7
113.09657	12.2
115.05468	8.7
117.07028	22.5
119.08588	83.9
121.06486	8.4
121.10152	51.7
123.08078	18.5
123.11699	7.1
125.09632	15.7
128.06184	12.0
129.07022	18.2
130.07779	11.1
131.08569	50.5
132.09383	5.7
133.06500	4.5
133.10136	53.4
135.08084	15.2
135.11758	11.6
136.06155	3.1
137.09602	8.0
139.11185	14.8
141.07010	9.4
141.09042	3.3
142.07767	28.5
143.08568	51.6
144.09361	11.9
145.06499	4.4
145.10130	77.9
146.10873	2.8
147.08061	15.0
147.11667	19.8
149.09604	17.1
149.13264	2.6
151.11198	3.7
153.06976	2.7
154.07730	3.5
155.08560	19.7
155.10622	16.5
156.09348	21.6
157.10139	67.4
158.10889	8.0
159.08104	17.7
159.11688	29.9
160.08873	11.9
161.09648	14.1
161.13252	5.9
163.11217	9.0
165.06998	6.7
165.12767	3.9
166.07788	4.3
167.08571	10.7
167.10696	19.1
168.09315	4.5
169.10132	32.4
170.10887	9.6
171.08168	2.7
171.10252	4.8
171.11670	37.3
172.12570	2.8
173.09612	9.3
173.13235	21.1
174.10431	3.8
175.11201	14.0
175.14763	3.9
176.11856	2.6
177.12801	3.3
179.08603	13.4
179.14310	6.0
180.09320	5.3
181.10167	20.1
181.12215	26.6
182.10925	15.6
183.11732	23.9
184.12515	5.5
185.09612	6.9
185.13281	20.5
186.14087	4.9
187.11163	7.7
187.14864	9.8
189.12746	5.6
190.13585	3.2
191.14342	8.0
192.09389	5.9
193.10130	16.8
193.11786	2.7
194.10916	10.7
195.11732	29.3
195.13544	4.6
196.12474	10.0
197.09483	3.1
197.13268	33.0
198.14011	4.1
199.11147	6.1
199.14851	12.3
201.12732	7.4
201.16370	3.2
203.14294	9.9
205.10052	3.6
205.15982	2.6
206.10951	6.0
207.11691	14.2
207.13667	4.7
208.12512	6.9
208.14572	3.6
209.13287	28.1
209.15189	4.8
210.14044	6.7
211.11305	3.5
211.14821	20.7
212.15588	5.5
213.12762	8.8
213.16400	7.2
215.14299	15.7
216.09409	2.7
217.15842	5.2
218.16656	4.0
219.11671	5.4
220.12514	7.8
221.13243	13.2
221.15381	21.2
222.13895	2.9
223.14774	16.3
225.12788	4.9
225.14854	14.7
225.16663	6.3
227.14255	7.3
229.15898	4.3
231.11719	2.7
233.13199	8.8
233.15335	51.8
234.16061	4.4
235.14821	15.0
236.88988	2.3
237.16502	16.5
239.14360	6.6
239.18137	2.6
241.15863	3.2
245.13208	5.9
247.14731	7.4
247.16931	5.5
249.16373	11.7
251.17894	3.1
253.15900	3.4
255.17429	34.3
257.19049	4.2
259.14774	5.6
260.15610	3.5
261.16214	5.5
262.16946	3.4
263.18002	6.1
265.16400	2.5
265.19537	7.3
267.17548	3.9
268.18155	4.7
269.18948	9.2
270.19785	13.7
271.17319	2.5
271.20349	4.9
273.18597	8.1
275.17773	6.6
277.19711	3.8
279.17438	2.9
281.19049	6.2
282.19830	4.2
283.20633	4.0
285.18738	4.3
286.19370	5.8
287.20401	3.1
289.19376	3.3
299.20068	6.9
307.20651	4.4
311.20288	4.3
313.21875	3.3
319.20456	3.3
323.23334	3.0
325.21738	2.9
334.23254	2.9
335.23828	4.7
337.25226	6.6
347.23694	3.9
349.25247	5.9
365.24704	10.8
367.26413	7.5
377.57208	2.7
383.25916	16.3
414.29172	4.7
429.31793	2.8
457.31412	4.8
490.34109	3.4
582.40918	5.8
600.41394	6.0
618.43359	24.7
619.24841	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	618.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50600	3.8
53.03937	6.3
55.01871	7.6
55.05515	37.0
57.03433	20.6
57.07080	19.4
58.71809	4.0
65.03947	5.6
67.05508	100.0
69.03416	10.6
69.07073	35.4
69.22322	30.9
71.08636	10.9
79.05502	48.4
81.03414	15.5
81.07066	68.7
83.04987	17.3
83.08618	29.2
85.06543	11.4
85.10171	5.3
87.04472	62.1
91.05480	46.6
93.07048	78.5
94.95058	3.9
95.04956	25.6
95.08611	58.2
97.02906	5.8
97.06529	9.0
97.10181	14.7
97.62196	3.9
101.06000	6.2
103.05456	5.9
104.31805	3.9
105.07035	38.3
107.04957	15.2
107.08615	33.9
109.06524	13.9
109.09600	4.0
109.10172	50.6
111.04423	10.1
111.08106	9.1
111.11713	5.5
113.06015	40.2
115.05450	4.8
117.07030	16.0
119.08589	43.6
121.06512	24.3
121.10147	30.8
123.04433	16.5
123.08085	13.2
123.11687	8.9
125.09642	8.5
129.05496	4.9
129.07014	14.0
131.08563	24.7
133.10112	16.6
135.08051	18.6
135.11702	9.9
137.09605	13.8
143.08612	7.5
145.10120	24.0
147.08095	11.1
147.11682	13.3
149.05989	38.2
149.09683	8.0
149.13271	7.8
155.01105	5.8
155.10721	5.7
157.10112	12.6
159.08029	4.7
159.11746	8.1
161.13203	8.0
165.09120	5.1
171.11659	8.1
173.09662	4.8
173.11754	24.3
173.13187	8.9
175.07538	11.2
175.11130	6.1
175.14822	4.2
177.09125	20.7
181.08617	20.2
181.10040	4.7
183.10173	6.2
185.08118	11.7
185.09604	5.3
185.13277	4.0
187.14809	8.1
193.12195	8.9
197.13304	7.0
207.10220	4.3
209.13177	4.7
211.13298	12.6
211.15144	4.7
231.13835	7.4
241.19470	7.8
243.17349	4.8
259.16879	5.6
259.20557	19.3
261.22134	12.5
269.15216	4.5
275.20114	10.5
277.18149	10.7
277.21756	6.3
283.26465	4.9
287.16510	21.5
287.19247	4.4
289.17960	15.7
290.38098	4.5
291.19556	10.7
295.15475	6.8
305.17520	96.8
313.27264	4.6
319.47568	4.8
323.18500	12.6
341.26727	4.2
343.08679	5.5
345.31293	4.0
383.29501	5.9
455.33594	17.9
495.22211	4.0
529.37170	4.6
534.24841	4.7
547.37280	8.2
565.38708	13.6
583.39856	15.4
600.50470	4.8
618.41956	15.3
618.51733	7.8
619.42249	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	620.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
55.05515	10.0
56.96556	4.0
57.53452	2.4
67.05511	32.2
69.07079	6.1
74.34306	2.1
79.05495	18.9
81.07060	33.5
82.06583	3.1
82.07423	2.1
83.04980	2.1
83.08609	4.2
85.02911	3.0
91.05492	9.7
93.07046	27.0
94.06564	6.8
95.08606	26.6
97.06540	4.8
98.97612	2.5
105.07031	8.8
107.08607	15.0
108.08122	8.4
109.02930	2.5
109.10157	14.7
110.03617	2.1
117.07024	4.6
119.08583	8.5
120.08122	3.0
121.10159	17.2
122.09653	4.1
123.11707	6.4
131.08606	5.5
133.10115	6.6
135.10701	2.3
135.11690	11.2
136.11177	6.7
137.13426	2.4
143.00143	2.6
145.10149	7.7
147.11716	4.2
149.13268	6.2
157.75627	2.0
159.11717	4.1
161.13245	4.1
163.03923	2.1
163.14815	7.7
173.13298	8.5
187.14786	4.2
243.21088	13.6
259.09784	2.8
261.22122	41.3
279.23138	3.2
283.01788	9.6
302.24826	24.4
320.25961	12.4
335.25922	10.7
353.26938	19.5
376.28619	4.1
394.29553	100.0
522.34180	7.8
602.29865	15.8
620.21643	17.2
620.30725	12.5
620.41028	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.5
55.01884	16.7
55.05513	22.2
56.96566	3.7
57.03449	20.3
57.07083	4.8
61.02948	4.9
67.05510	72.6
69.03432	75.3
69.07071	27.7
69.51342	6.1
69.51749	13.3
71.04998	5.5
73.02914	8.1
79.05500	52.1
81.03425	32.2
81.07061	78.7
82.06592	3.1
83.04983	11.2
83.08628	10.5
85.02914	100.0
85.06526	3.9
87.04469	4.0
91.05495	37.1
91.47960	2.6
93.07056	62.0
94.06590	5.9
95.04993	13.5
95.08615	65.0
96.08159	2.9
97.02893	31.9
97.06529	9.8
97.10152	4.8
98.97558	3.3
99.04459	14.4
101.02383	6.8
105.07042	40.9
107.04961	5.4
107.08602	39.1
108.08143	5.9
109.02894	12.4
109.06517	8.5
109.10167	31.4
111.04459	12.4
115.03938	7.2
117.07028	24.7
119.08596	30.4
121.06508	6.6
121.10153	37.8
122.09608	3.2
123.04456	4.0
123.08102	5.5
123.11721	14.8
127.03922	63.9
129.05524	4.2
129.06996	12.1
131.08592	29.7
133.06512	5.5
133.10139	28.5
135.08034	4.2
135.11700	31.9
136.11224	5.5
137.09630	4.0
137.13316	4.6
139.11223	3.8
141.06973	3.2
142.07811	3.4
143.08562	13.4
145.04976	37.0
145.10150	26.5
147.08034	5.5
147.11716	23.8
149.02380	4.8
149.09642	4.7
149.13277	11.0
155.08582	3.5
157.10130	10.8
159.11714	21.0
161.09557	4.7
161.13287	16.8
163.06055	4.6
163.11153	3.6
163.14854	7.8
167.08577	5.2
169.10106	7.4
171.11693	6.1
173.13281	14.6
175.14816	3.0
177.16414	3.2
179.10646	2.9
180.08707	13.4
183.11678	8.6
185.09726	3.3
185.13313	9.0
187.14822	8.0
193.12279	3.7
197.13322	4.1
199.14789	3.4
205.12286	3.6
213.12700	3.0
243.21085	13.0
259.09796	6.3
259.20663	8.0
261.22128	38.8
266.85977	2.8
273.22144	4.1
275.23700	3.1
277.21692	4.4
279.23181	4.8
283.02020	21.0
284.02295	5.4
285.22241	3.0
289.21338	4.5
291.23141	7.7
297.22174	2.7
301.21552	5.1
302.24857	20.4
303.23172	14.1
315.23285	4.4
319.22614	3.4
320.25995	10.5
327.23257	6.0
335.25793	10.5
338.27911	5.0
341.24747	8.6
343.22617	4.0
345.24146	4.0
351.23334	11.6
353.26865	12.7
359.25735	4.3
369.24268	34.9
376.28662	4.2
387.25333	50.6
394.29550	81.1
405.26501	44.9
423.27283	15.5
483.81546	3.2
522.34320	5.2
561.27747	3.7
602.30084	14.9
620.21661	4.9
620.29907	16.1
620.42194	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	620.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10931	2.0
52.70467	2.2
55.01857	4.6
55.05513	17.5
57.03439	3.8
57.07072	3.0
57.16117	1.9
60.18655	2.1
67.05509	24.3
69.03435	2.8
69.07069	29.9
69.23848	7.6
69.24272	10.6
71.04926	1.9
73.06579	2.0
75.15414	1.9
76.39426	2.0
79.05496	35.7
81.03408	3.3
81.07061	30.5
83.04993	6.2
83.08624	10.5
85.06504	3.0
87.04479	3.9
87.05846	2.0
91.05497	24.2
92.30991	2.0
93.07050	39.9
95.04985	15.7
95.08615	22.4
97.06526	6.5
97.10171	5.3
105.07037	22.7
106.94312	2.0
107.04968	20.4
107.08583	22.3
109.06499	3.6
109.10163	11.4
111.08090	2.4
117.07020	9.4
119.08585	27.5
121.06493	2.3
121.10146	16.6
123.08060	3.4
125.09620	2.9
131.08569	15.6
133.10118	20.8
135.08025	15.9
135.11665	4.9
139.11200	4.9
143.08537	2.4
145.06534	2.2
145.10170	10.4
147.11711	7.6
149.09608	8.5
149.13231	2.6
157.10095	2.7
159.11650	10.3
161.13286	3.6
163.11221	7.4
169.10135	3.3
171.11757	2.4
173.13289	4.5
175.11211	2.9
183.13852	3.2
203.12828	12.2
223.13268	5.6
237.14833	8.7
239.17941	4.1
257.18961	7.6
273.18512	3.3
275.20071	100.0
291.19583	6.1
293.21133	54.6
500.79825	2.6
560.24170	4.7
621.26764	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	620.452
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98859	1.4
53.03944	6.0
55.01865	7.1
55.05515	14.1
57.03435	12.9
57.07075	2.2
60.20299	1.4
65.03948	2.6
67.05508	38.3
69.07072	13.6
69.77299	7.1
71.04991	13.1
79.05501	29.0
80.05775	1.6
81.03422	27.8
81.07062	32.8
83.04984	5.4
83.08615	5.8
85.06546	6.4
85.10224	1.9
91.05489	32.6
93.07053	39.4
95.04974	57.0
95.08002	1.5
95.08606	31.2
97.02885	2.7
97.06520	8.2
97.10157	4.1
99.04471	2.8
103.05501	1.9
105.03409	1.6
105.07037	24.4
107.04962	96.8
107.08587	20.2
109.02851	3.0
109.06521	78.0
109.10163	10.4
111.04410	3.0
113.06003	22.0
113.71303	1.5
115.05442	2.4
117.07023	12.5
119.04945	2.4
119.08571	20.2
121.06508	31.5
121.10143	13.1
123.04465	7.7
123.08073	24.6
123.11675	3.0
125.09605	5.1
129.07007	8.9
131.08586	15.9
133.06505	8.7
133.10158	12.8
135.08069	16.2
135.11681	6.5
137.09630	9.1
139.11212	2.2
141.06949	1.9
141.09138	3.6
142.07765	2.5
143.08556	8.3
145.06470	4.6
145.10109	6.7
147.08057	10.7
147.11711	8.3
149.06021	8.6
149.09634	5.7
149.13290	3.6
151.07500	13.0
153.09100	3.3
155.08521	4.2
157.10153	14.2
159.08043	8.3
159.11694	6.5
161.09581	9.2
163.07605	2.1
165.09123	27.0
165.12697	2.6
169.10161	1.9
171.11699	5.8
173.09624	4.4
173.13214	3.5
175.11235	17.1
177.09190	3.1
177.12843	2.6
179.10744	2.6
183.11688	3.0
187.11179	1.7
189.11237	1.8
189.12770	6.9
191.10640	9.6
193.12250	4.8
197.13153	2.5
199.11208	8.6
201.12842	2.5
203.12756	2.9
205.12196	4.0
211.13280	2.1
215.14371	3.9
217.12212	13.6
219.13867	8.8
221.11769	3.5
225.16336	3.8
233.15402	19.9
235.13297	72.3
237.14983	8.2
239.12865	3.3
243.17444	5.6
247.16919	7.7
253.15956	3.8
261.18500	10.4
261.21982	4.4
263.16385	3.0
265.15494	1.7
265.17990	11.5
271.16986	15.5
273.18655	2.1
275.20041	3.0
277.21686	5.1
279.19547	1.7
289.17990	100.0
291.19510	2.6
293.21173	4.2
295.22662	2.0
307.19064	41.4
312.44855	1.8
325.20142	1.7
355.68259	1.7
385.47516	1.9
389.17773	2.0
403.19254	2.7
419.22534	4.0
431.18561	4.6
445.20212	5.4
447.21725	4.6
467.42010	2.0
473.19162	1.8
474.20184	4.6
475.21240	8.4
487.20999	3.3
501.22989	2.4
512.54968	1.8
533.25677	7.3
561.24994	44.1
567.40613	2.3
620.26080	6.5
621.27106	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01856	0.8
55.05509	2.4
56.02236	0.8
57.03444	1.3
67.05493	5.3
67.81725	0.7
69.07053	1.7
69.40200	0.8
71.04993	1.6
71.53583	1.0
71.54243	0.8
79.05508	4.5
79.14392	1.1
81.03413	3.6
81.07053	4.4
83.05009	1.3
83.08593	0.8
85.69343	0.8
88.86026	0.9
91.05480	4.7
93.07060	4.9
95.04955	7.8
95.08615	5.2
97.06536	1.2
105.07015	3.0
107.04959	10.9
107.08622	2.3
108.05316	1.8
109.06522	10.8
109.10156	1.6
110.06877	1.9
113.05972	2.8
117.06998	1.3
118.07432	0.9
119.08581	3.2
121.06510	3.2
121.10170	1.2
123.08067	2.4
131.08571	1.4
133.06497	0.9
133.10129	1.4
135.08086	2.0
145.10138	0.8
147.08037	1.3
147.11720	1.0
149.05914	1.1
157.10143	1.5
161.09584	1.2
165.09128	2.4
166.09468	0.9
173.84250	1.0
175.11266	2.0
199.11266	1.0
217.12262	1.8
221.11665	1.0
223.12376	0.8
233.15329	1.7
235.13371	5.2
236.13710	2.0
238.14932	0.9
246.61430	0.8
265.18179	1.2
271.16812	1.7
272.17429	1.1
276.20496	0.8
277.21808	0.9
289.17957	7.5
290.18240	5.4
307.19119	2.8
308.19415	1.1
373.14346	1.0
388.16818	1.3
389.17697	3.3
401.18051	1.2
402.18665	1.7
403.19287	6.0
404.20154	1.7
405.20892	1.5
415.19418	1.0
417.16495	1.9
417.20956	3.3
419.22495	7.0
430.17261	1.0
431.18063	7.4
432.19455	2.0
443.18762	1.0
444.19382	1.0
445.19983	7.3
446.21161	5.3
447.21909	8.8
459.17676	1.3
459.22534	1.1
473.24115	0.9
474.20361	8.2
475.21274	15.4
487.21405	3.7
488.22336	2.0
501.23105	2.8
505.26019	1.3
518.22906	1.0
531.36578	2.2
533.25378	12.0
561.24988	78.9
562.25256	2.2
589.24274	2.9
593.27637	2.4
621.27081	100.0
622.27380	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	621.2709
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.58043	0.1
53.15031	0.1
60.89195	0.1
64.31211	0.1
72.38410	0.1
83.04960	0.2
83.12482	0.2
105.06986	0.2
112.13039	0.1
140.11391	0.1
148.82317	0.2
192.23169	0.1
207.09114	0.2
209.10661	0.2
220.09972	0.2
221.10710	0.3
233.10709	0.3
235.12381	0.3
237.10387	0.1
249.10216	0.2
254.81689	0.1
275.20078	0.2
286.13403	0.3
293.20990	0.2
298.13376	0.3
310.13559	0.1
312.14856	0.2
323.14243	0.1
325.15610	0.2
336.15210	0.2
340.14383	0.1
373.14667	0.3
374.15320	0.4
375.16061	0.8
376.17197	0.2
387.16168	0.5
388.16867	1.0
389.17581	2.3
390.18744	1.0
391.19305	0.6
392.20233	0.1
400.16968	0.2
401.13272	0.2
401.18069	1.0
402.13913	0.3
402.19110	0.9
403.19476	4.2
404.20078	1.9
405.20718	2.4
413.17813	0.2
415.14661	0.2
415.19104	0.7
416.15430	1.0
416.20551	0.5
417.16068	3.4
417.21033	2.3
418.17517	0.6
418.21570	1.0
419.22409	6.4
420.23151	0.6
429.16452	0.4
429.21463	0.3
430.17114	0.9
431.18207	6.3
432.19119	2.6
433.14975	0.2
433.20163	2.3
435.22348	0.2
441.17368	0.2
442.17667	0.2
443.18484	0.4
444.19415	0.6
445.14636	0.2
445.20184	5.7
446.21045	5.5
447.21851	8.3
448.22861	0.3
457.20499	0.3
458.21381	0.3
459.21753	2.3
460.18573	0.5
460.22845	0.6
461.19431	1.3
463.21201	0.5
473.19565	1.2
473.24307	0.6
474.20389	5.8
475.21286	6.7
476.21829	0.3
477.22678	0.6
478.23477	0.3
487.21445	2.8
488.22253	0.8
490.23471	0.3
491.19955	1.3
492.24994	0.2
501.22937	1.9
502.23874	0.3
503.20517	0.4
504.21774	0.2
505.26999	1.1
506.23068	0.2
515.20667	0.2
517.22626	0.4
518.23138	0.4
519.20801	0.5
529.22522	0.6
533.25537	13.8
534.26312	0.3
546.22784	0.4
561.24982	20.7
562.25409	0.7
565.27783	0.3
589.24365	0.9
593.27576	3.1
621.27069	100.0
622.27454	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05520	1.9
57.07075	0.9
67.05502	2.5
69.07077	1.3
81.03442	1.3
81.07053	2.7
83.08614	1.0
87.78266	1.0
91.05481	1.4
93.07040	3.0
95.04943	1.1
95.08576	2.4
98.65089	1.1
100.00649	1.2
105.07018	1.7
107.08593	1.3
109.10160	2.3
119.08602	1.9
128.15294	1.1
133.10103	1.0
137.09610	1.0
149.09618	1.0
171.11766	1.0
239.89047	1.0
275.20056	1.7
278.22131	1.2
295.22626	1.5
302.68542	1.0
373.14673	1.1
375.15753	1.2
378.48672	0.9
388.17227	1.1
389.17786	2.4
402.18576	1.5
403.19342	3.2
404.20154	2.6
405.21011	1.6
417.16455	1.6
417.21310	1.8
419.22415	4.7
430.17822	1.2
431.18152	1.7
431.22964	2.2
445.20380	3.2
446.21106	3.3
447.21729	5.5
459.17496	2.2
459.22571	1.3
461.19849	1.8
473.19528	1.3
474.20502	7.6
475.21286	13.5
487.21469	3.5
488.21976	1.5
501.23007	4.3
533.25659	8.6
561.15997	1.9
561.24963	39.1
565.27753	1.4
621.27100	100.0
622.27368	1.7
623.72894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.02454	0.4
61.29596	0.4
67.05489	0.9
70.02229	1.5
70.32998	0.4
71.08736	0.3
75.98814	0.3
79.05506	0.8
81.07072	0.9
83.08643	0.5
93.07032	0.6
95.08643	0.6
105.07002	0.7
109.10220	0.5
117.07079	0.4
117.91740	0.4
119.08563	0.6
226.75745	0.5
235.12578	0.4
282.13931	0.5
283.01804	0.8
335.95917	0.4
339.29095	0.4
374.15479	0.4
375.16205	0.6
388.16855	0.6
389.17624	3.0
390.18472	1.0
391.19376	1.2
402.18591	1.1
403.19507	4.3
404.20169	1.8
405.20697	2.6
415.19659	0.7
416.15369	0.6
416.20007	1.2
417.17084	3.4
417.21072	2.7
418.21783	1.2
419.22406	6.8
429.21600	0.5
430.17953	1.3
431.18158	6.1
431.23627	0.7
432.19284	3.1
433.20074	2.0
443.18674	0.9
444.19666	0.6
445.20248	5.3
446.20987	5.2
447.21881	7.7
457.20386	0.5
459.23010	1.8
460.18384	0.6
461.20105	1.2
473.19214	1.1
474.20319	5.5
475.21414	6.5
487.21442	3.1
488.22311	0.6
491.20395	0.8
501.22803	1.7
505.26108	1.2
518.23224	0.4
519.20020	0.9
529.22400	0.7
533.17407	0.6
533.25525	14.3
561.25018	20.8
562.24762	0.5
589.24622	1.1
593.27386	3.4
599.87366	0.5
621.27100	100.0
622.26788	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	621.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.3
51.40010	3.0
53.03934	10.2
55.01865	10.7
55.05510	41.3
57.03430	7.9
57.07059	3.3
59.04998	5.8
61.02914	2.9
65.03941	4.9
67.05180	3.0
67.05508	35.7
69.03429	28.8
69.07072	100.0
69.89334	12.5
70.11139	2.6
71.01348	3.2
71.04974	8.2
73.02874	2.8
73.06550	3.3
79.05495	31.4
80.05857	2.7
81.02927	3.0
81.03415	37.6
81.07058	84.1
83.04983	24.1
83.08631	11.8
85.02905	31.9
85.06522	4.9
87.00817	10.7
91.05480	28.6
93.07046	94.9
95.04979	31.3
95.08608	67.3
97.02888	16.2
97.06541	20.6
97.10172	83.2
98.20837	3.5
99.04444	10.0
99.08086	5.1
105.01868	6.6
105.07034	34.8
107.04937	8.5
107.08595	65.1
109.02902	19.3
109.06512	10.8
109.10165	45.6
111.04446	7.2
111.08045	9.4
111.11736	28.3
115.11192	4.7
117.06992	8.1
119.08582	36.6
121.06508	11.9
121.10145	71.2
123.04419	7.3
123.08117	12.7
123.10958	2.8
123.11739	26.5
124.39133	2.3
125.09628	9.8
127.03918	22.0
129.06987	6.3
131.08557	16.7
133.06465	4.7
133.10149	24.1
135.08044	14.5
135.11693	49.0
137.09607	16.2
137.13210	2.8
139.10107	5.1
139.11180	81.1
143.08580	4.7
145.04939	5.6
145.10130	24.2
147.04340	4.4
147.08049	7.4
147.11702	16.0
149.09628	17.1
149.13272	13.8
151.11192	13.7
153.12726	10.1
155.08505	2.3
155.10703	2.4
157.10208	11.6
157.12241	45.7
159.02974	3.1
159.08072	3.6
159.11700	16.4
161.09668	13.9
161.13304	5.9
163.03879	5.4
163.11163	19.7
165.09081	3.4
165.12749	4.1
167.10707	6.2
169.10161	2.7
171.11638	4.3
173.06017	3.7
173.09602	3.3
173.13274	9.4
175.11243	8.6
175.14803	3.5
177.12816	4.1
179.10693	4.6
179.14079	2.4
181.12274	6.8
183.11722	3.6
185.13278	5.4
189.12729	4.6
193.12228	7.3
195.13789	2.6
199.13254	3.4
199.14845	3.8
201.16344	3.0
203.12755	15.3
203.14346	2.9
209.15280	3.9
211.13289	8.5
213.04002	3.5
213.09030	2.8
213.16348	3.9
215.18057	4.5
237.14767	4.8
247.20683	3.9
255.21152	8.0
257.18976	2.6
273.14911	5.1
273.22064	14.6
275.20071	13.4
283.20547	7.1
289.21957	3.4
291.23209	45.0
293.21130	73.8
301.14398	5.0
301.21613	39.4
307.22672	5.5
313.03494	4.1
319.16132	3.8
319.22705	81.0
325.23737	14.6
337.23737	84.6
355.24759	15.5
427.24948	2.6
445.25748	4.3
459.27301	5.2
463.26398	4.3
549.27075	4.0
567.28406	5.8
585.30408	7.3
603.32312	4.8
621.33295	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	621.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
55.01864	7.0
55.05511	56.2
57.03420	10.8
57.07056	7.0
59.04985	4.9
61.02925	3.0
65.03925	5.5
67.05512	37.7
67.68456	2.8
68.83689	2.7
69.03429	31.5
69.07072	100.0
70.06613	3.1
71.04971	9.8
71.52983	2.9
73.02917	2.6
79.05500	38.0
81.03423	59.5
81.06594	4.7
81.07059	89.4
83.04980	26.7
83.08627	16.3
85.02911	37.6
85.06547	6.1
87.00825	11.4
87.04485	3.0
91.05485	35.7
93.07047	84.5
95.04964	34.4
95.08613	75.9
96.05872	2.7
97.02885	22.8
97.06542	25.0
97.10175	85.5
99.04440	10.4
99.08080	7.1
105.01846	6.0
105.07034	37.7
107.04949	12.1
107.08598	76.9
109.02888	16.6
109.06547	18.4
109.10166	48.2
111.04455	6.1
111.08062	12.1
111.11725	38.3
115.05437	4.6
115.11176	5.4
117.07021	10.4
119.04927	4.6
119.08582	43.0
121.02840	2.9
121.06497	8.0
121.10153	90.7
123.04427	11.2
123.08055	8.1
123.11693	26.8
124.49767	2.8
125.05997	3.7
125.09662	13.9
127.03928	21.7
127.11170	5.5
129.06995	7.9
131.08562	17.9
133.06497	5.0
133.10152	31.9
135.08058	13.3
135.11696	60.1
137.09615	12.6
139.11195	78.1
141.06996	3.6
143.08537	7.9
145.05026	5.4
145.06458	4.6
145.09189	3.3
145.10144	29.4
147.04422	9.3
147.08072	6.6
147.11697	23.1
149.09647	17.8
149.13289	15.0
151.11185	14.1
153.12773	15.3
155.08563	3.4
157.10130	11.6
157.12248	43.6
159.02928	5.3
159.08006	5.1
159.11702	20.8
159.33675	2.9
161.05942	4.2
161.09590	12.9
161.13268	7.6
163.03912	6.8
163.11186	15.7
163.14821	5.1
165.09073	6.5
165.12717	3.8
167.10760	4.5
169.10149	3.4
169.12212	3.3
173.05919	3.3
173.09720	4.0
173.13301	8.1
175.11188	7.9
177.12730	8.5
177.16277	3.3
179.10651	3.4
181.12234	6.7
185.09706	4.6
185.13210	5.8
187.14807	3.9
189.12721	3.2
191.14261	5.3
193.12238	12.6
195.13855	3.7
199.14958	3.5
203.12712	19.0
203.14316	3.8
209.15302	4.7
211.13213	8.8
211.15012	3.5
213.03943	4.8
213.16417	3.8
215.17900	3.2
221.15251	2.7
225.14735	3.3
227.12846	3.6
229.19449	3.9
235.16965	3.2
237.14919	6.5
247.20551	4.0
255.21078	7.2
257.18958	3.4
267.15955	6.5
268.07114	3.1
273.14990	4.8
273.22119	19.1
275.20154	14.7
279.22998	3.7
283.20511	4.0
285.17221	2.9
289.14178	4.3
291.23221	42.0
293.21133	84.7
301.14365	4.6
301.21579	37.2
307.22778	6.0
319.22705	82.7
325.23734	9.0
337.17291	3.8
337.23752	97.6
355.24713	12.5
445.25739	6.8
459.27466	7.6
506.05731	3.2
531.25702	3.6
549.26563	4.2
553.31909	4.5
567.28589	3.4
585.30139	6.0
603.31439	9.9
607.75220	3.2
621.32922	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.7
53.03949	8.8
55.01872	6.6
55.05267	1.4
55.05514	18.1
57.03444	7.4
64.88898	0.9
64.89786	1.1
65.03944	2.7
67.05508	25.8
69.03091	1.2
69.03424	14.7
69.07076	8.9
71.01341	1.3
71.04997	6.2
71.37608	1.6
77.03948	0.9
79.05502	32.9
81.03424	100.0
81.06587	1.9
81.07063	32.3
83.04988	13.1
83.08628	20.2
85.02432	1.5
85.02909	18.4
85.06561	2.3
91.05489	40.0
93.07051	22.1
93.07632	1.1
95.04369	2.0
95.04976	36.1
95.08609	13.5
97.02894	14.1
97.06539	5.5
97.10164	7.8
99.04471	4.2
99.08118	1.1
103.03978	1.3
103.05454	1.9
105.04558	1.8
105.07040	27.6
105.67615	0.9
107.04967	12.4
107.08602	13.2
109.02886	24.9
109.06508	5.8
109.10159	6.8
111.04455	9.2
111.08081	8.9
113.06031	1.7
115.05472	3.7
116.06261	0.9
117.07032	6.8
119.04942	4.9
119.08591	20.4
121.06501	6.9
121.10142	9.6
122.71629	0.9
123.04424	5.3
123.08071	3.7
123.11719	3.3
125.02374	4.0
125.06018	1.6
125.09611	5.9
127.03934	6.9
128.06262	1.5
129.06160	1.5
129.07011	15.8
131.04944	4.5
131.08591	14.0
133.06482	7.2
133.10133	11.4
135.04457	1.5
135.08073	3.5
135.11700	3.3
137.06010	1.9
137.09686	1.6
141.07002	2.2
142.07794	3.5
143.08582	4.1
145.06497	5.0
145.10121	8.5
147.04422	3.6
147.08086	7.0
147.10643	1.7
147.11694	16.9
149.05968	2.3
149.09618	5.0
151.03912	1.1
153.07059	1.0
153.12810	2.0
155.08606	3.1
157.06525	3.0
157.10153	12.1
159.08076	2.8
159.11720	2.9
161.06027	4.4
161.09673	2.4
163.07484	1.1
163.11197	7.2
165.12773	3.9
167.08621	1.4
169.10172	2.2
171.08066	3.1
171.11699	3.0
173.04520	5.7
173.06024	2.5
173.09698	2.5
175.07642	1.1
175.11226	13.0
177.05489	1.4
177.12825	1.8
181.12317	2.6
183.08096	1.4
185.06142	0.9
185.09669	1.5
185.13248	1.4
187.07660	1.5
187.11166	1.7
189.05504	3.1
189.11208	2.7
189.12732	1.2
191.10683	3.9
193.12268	34.5
195.08080	1.1
195.11777	1.1
199.11259	1.7
205.12274	2.1
207.13878	1.3
211.13301	38.4
211.15265	2.0
213.12694	2.1
217.12151	1.3
227.12575	4.4
227.14696	1.0
229.14420	1.2
231.13904	1.4
235.13400	2.8
237.12915	2.0
243.13896	1.2
247.13400	1.7
249.14914	3.3
255.13884	3.4
257.15387	1.0
259.13391	2.4
261.15048	1.2
267.15939	14.4
269.15298	1.2
273.14890	8.2
277.14499	2.9
283.13052	1.9
283.15668	1.5
285.17047	9.3
289.14465	2.7
291.15991	2.3
295.08032	0.9
301.14316	14.3
303.16196	1.7
313.16769	1.1
316.45679	0.9
319.15500	7.4
337.16711	5.0
347.18909	1.0
355.17496	2.6
367.22800	2.7
373.76437	1.0
375.18103	5.1
385.23859	3.2
393.19095	5.9
403.25064	1.7
405.24799	1.1
411.20135	2.1
422.26547	1.0
459.27451	8.3
477.28510	7.4
493.26660	1.3
495.29645	8.4
501.28311	1.7
529.28143	1.5
539.30725	1.2
547.28876	1.3
557.31122	1.2
567.29645	2.6
573.30573	2.6
583.62854	1.0
585.30811	11.8
603.31769	13.2
621.32739	77.9
622.33252	1.7
639.46991	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.4723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61100	2.2
53.03925	3.1
55.01863	6.2
55.05502	10.3
57.03438	17.0
57.07074	20.7
67.05181	4.6
67.05505	44.8
69.07064	8.9
69.21173	9.0
69.21609	12.2
71.08617	13.8
77.53397	2.0
79.05494	17.4
81.07050	23.6
83.08606	8.9
85.06544	12.4
85.10181	7.6
91.05486	22.3
91.36337	2.5
93.07058	18.3
95.04971	44.1
95.08593	18.1
97.06555	3.4
97.10143	5.3
98.20787	4.5
102.63667	2.4
105.07012	16.4
107.04942	9.6
107.08607	11.4
109.06512	48.6
109.10180	4.9
113.06024	25.4
114.38655	2.4
117.07022	11.3
119.08575	7.6
121.06469	4.0
121.10150	3.0
123.08018	3.8
129.06956	5.2
131.08565	12.8
133.06473	2.5
133.10103	6.4
135.08063	43.9
135.11731	4.0
139.86055	2.6
143.08563	6.9
145.10129	8.3
147.08025	2.9
147.11652	3.6
149.09604	3.9
157.10168	3.6
159.11708	5.4
161.09636	7.1
171.11699	3.5
173.13292	2.7
175.11182	4.7
177.12700	2.8
217.15939	11.9
223.05061	3.1
227.17943	2.8
255.17476	3.1
273.18469	42.1
291.19525	100.0
292.97577	2.8
313.27350	38.4
320.36276	2.3
347.22162	9.5
365.23019	11.0
424.21490	2.5
453.71613	2.3
494.18689	2.3
509.18289	2.7
526.96429	2.4
545.41211	2.5
585.44794	8.8
603.46204	39.3
621.27100	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	622.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	0.9
53.03946	3.5
54.29675	0.6
54.67420	0.7
55.01873	3.5
55.05517	6.1
57.03423	2.9
57.07061	2.4
61.02920	1.4
65.03935	0.9
65.59229	0.6
67.05505	8.6
69.03427	8.1
69.07070	19.6
71.04994	3.5
71.08615	0.8
71.32385	1.0
73.02891	1.1
77.03932	0.9
79.05492	6.1
81.03419	10.0
81.07061	19.6
81.07513	0.7
83.04965	1.6
83.08626	5.1
85.02909	15.1
85.06532	1.6
87.00837	5.6
87.04496	1.1
87.14169	0.6
90.91241	0.6
91.05485	6.1
93.07046	36.3
95.04968	34.9
95.08606	20.6
95.09074	0.4
96.05302	0.6
97.02888	6.4
97.06534	4.9
97.10177	4.3
99.04442	3.1
99.08075	0.6
105.01863	4.1
105.07037	12.7
107.04929	0.7
107.08603	15.7
107.91130	0.5
109.02885	7.6
109.06519	3.0
109.10150	12.7
109.10844	1.3
111.04446	0.6
111.08089	5.2
111.11715	2.4
113.09689	0.6
117.01842	1.4
117.07022	1.2
119.08580	10.0
121.06499	0.9
121.10148	13.0
123.08073	1.8
123.11715	10.9
125.09615	1.0
127.03919	9.3
129.01804	0.7
129.07008	1.1
131.08556	4.2
133.10130	9.4
135.08028	0.9
135.11690	14.0
137.09654	0.7
137.13254	2.0
139.11206	3.0
145.04959	3.3
145.10103	5.2
147.11688	16.7
149.09621	2.1
149.13280	4.1
151.11134	2.9
153.12730	9.2
157.10100	0.7
159.02898	4.5
159.11702	10.3
161.09592	1.1
161.13261	4.5
163.11212	2.4
163.14833	2.0
165.12764	1.5
165.16400	1.2
167.10635	0.8
171.11647	0.9
171.13831	6.5
173.13243	2.9
175.14838	1.7
177.12750	1.5
177.16341	1.4
184.07362	1.7
185.13263	0.8
187.14803	2.2
189.16434	1.0
195.13794	2.1
201.16423	1.0
209.15182	0.8
211.14903	1.2
217.14362	4.2
217.19601	1.1
231.05078	1.4
249.18613	0.7
251.19931	0.7
257.22644	4.5
263.20093	1.0
267.21121	2.3
275.23703	18.8
285.22147	5.8
291.23129	2.0
293.24750	5.3
295.57239	0.6
303.23190	100.0
304.23587	0.9
309.24289	9.2
321.24240	49.6
324.52798	0.6
339.25281	9.3
357.26520	1.1
443.27029	0.6
447.27310	1.2
533.27216	0.7
551.27924	1.6
622.33240	2.0
622.48816	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64761	1.7
53.03948	2.8
55.01871	4.9
55.05515	13.0
57.03427	3.9
57.07082	3.1
66.34476	2.4
67.05505	14.3
68.99774	2.6
69.03437	17.5
69.07069	22.5
71.01343	2.6
71.04993	18.9
71.52811	2.8
73.02901	2.8
79.05487	12.8
81.03421	14.5
81.07054	34.6
83.04972	4.7
83.08621	6.3
85.02908	26.4
87.00838	9.3
91.05492	11.9
93.07045	39.3
95.04969	18.6
95.08611	28.5
97.02889	14.7
97.06524	4.8
97.10160	14.6
99.04456	3.2
100.27719	1.8
105.01865	4.8
105.07027	15.5
107.04907	1.9
107.08594	18.9
109.02881	8.4
109.06510	3.2
109.10165	26.1
111.08076	4.9
111.11712	6.9
117.01862	2.5
117.07011	1.9
117.08273	1.5
119.04928	2.1
119.08587	9.0
121.06516	2.0
121.10149	65.6
123.08109	2.3
123.11706	8.9
127.03921	15.0
131.08588	4.8
132.82838	1.9
133.10112	7.3
135.08127	2.0
135.11678	17.0
137.09642	2.3
137.13263	8.1
139.11162	11.5
145.04958	5.0
145.10153	9.4
147.11708	15.8
149.09642	2.4
149.13286	3.7
151.07561	2.1
153.12724	6.0
157.10205	1.9
157.12245	6.7
159.02963	5.2
159.11726	6.8
160.11229	7.4
161.13258	7.8
163.11172	11.7
163.14848	3.4
165.09091	2.3
165.12807	5.1
171.13742	2.3
173.13303	3.9
176.24765	1.9
181.12250	5.2
184.07370	3.2
196.51938	1.8
203.12764	4.7
217.14357	2.8
243.04869	2.0
257.22708	4.7
258.08902	6.6
258.95901	1.7
266.21936	2.0
275.23743	12.0
285.22281	4.7
293.24765	11.7
303.23184	100.0
309.24219	10.4
321.24246	93.2
338.70276	1.9
339.25369	19.9
357.26468	3.9
541.56305	2.1
622.33295	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	622.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.2
55.01871	5.3
55.05503	7.3
57.03429	8.2
57.07077	1.8
67.05506	20.8
69.03421	2.1
69.07063	8.2
69.97906	1.6
71.04996	7.8
71.53507	2.3
79.05508	15.8
81.03416	20.5
81.07063	24.2
83.04962	3.2
83.08635	4.3
85.02885	1.8
85.06530	2.6
91.05482	18.2
93.07056	21.0
95.04969	29.7
95.08620	19.7
97.06505	2.9
97.10182	3.0
105.07028	10.9
107.04961	65.7
107.08603	8.9
109.02881	3.3
109.06519	42.5
109.10172	8.1
111.08120	1.8
111.13688	1.7
113.05989	9.3
117.07015	3.7
119.08601	12.2
121.06522	16.9
121.10159	8.5
123.04456	2.0
123.08067	15.8
125.09660	3.3
129.07036	5.1
131.08556	8.5
133.06499	8.1
133.10143	6.1
135.08107	10.3
137.09621	5.9
141.09157	2.8
143.08595	5.6
145.10127	3.8
147.08078	6.3
147.11684	5.1
149.06023	4.4
151.07594	3.6
155.08546	2.4
157.10126	5.2
159.08124	2.9
159.11714	2.5
161.09599	4.3
165.09129	17.3
171.11693	4.6
173.09662	3.4
173.13286	1.9
175.11203	9.3
189.12788	4.0
191.10713	5.9
199.11221	2.8
203.12698	2.6
207.14111	1.8
215.14397	2.7
217.12312	7.6
219.13828	3.8
221.11641	2.3
233.15370	12.6
235.13293	39.2
237.14864	6.2
240.78496	1.8
247.17017	2.6
248.04877	1.9
261.18533	5.3
265.18011	5.5
271.17065	7.4
285.21692	2.1
289.17990	58.6
307.19037	23.7
321.48462	1.7
366.19211	2.1
370.69742	1.8
386.57355	1.8
389.17624	3.3
404.19730	3.7
420.22870	3.1
432.18475	3.3
446.20895	4.5
447.21698	3.2
448.22192	3.6
460.17920	2.5
474.20090	2.7
475.21164	7.8
476.21671	10.1
488.21484	2.9
489.22372	2.6
502.22791	3.4
506.26877	2.3
534.25421	4.9
562.25244	30.3
563.26929	2.4
622.27435	100.0
622.61176	2.6
623.28253	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	623.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08752	0.8
55.05478	2.7
57.03407	1.9
64.11839	0.7
65.03916	1.1
66.65417	0.7
67.05503	5.1
69.07059	1.4
71.53626	1.2
71.59533	1.0
78.08469	0.7
78.32226	1.0
79.05499	4.5
79.31239	0.8
81.07023	3.3
83.04954	2.0
83.08569	0.7
83.78767	0.9
91.05450	3.2
93.07050	4.1
95.04921	2.2
95.08556	2.5
105.06969	1.9
107.04918	2.3
107.08552	1.8
107.21747	0.8
109.06445	1.4
109.10139	1.3
110.26659	0.8
119.08539	2.6
121.10122	1.4
131.08546	1.7
133.10121	1.9
135.08043	1.0
145.10135	1.0
147.11523	1.1
159.07985	1.4
161.13225	1.0
168.61919	0.8
233.15343	1.0
251.08626	0.7
251.11620	0.9
275.20068	0.9
277.21478	1.4
289.17911	3.4
295.22269	0.9
377.17786	1.3
405.20786	1.7
415.19046	1.3
420.23227	1.1
421.24332	1.1
429.20786	1.7
435.21667	1.1
442.21317	1.0
447.13614	1.5
447.22501	1.0
457.16064	1.3
457.23703	1.2
459.21542	2.6
460.22299	1.2
461.14685	2.3
461.19455	5.9
462.16656	7.7
471.18192	1.3
472.22586	1.4
473.19312	1.0
474.16321	1.0
475.20856	3.5
476.17770	3.8
476.21951	3.8
485.24158	5.0
486.20227	2.5
488.22021	1.3
489.18564	2.0
490.23001	2.4
491.20795	58.8
500.21490	2.4
501.22943	7.0
502.22653	1.4
503.20349	4.7
503.23611	3.2
504.21271	6.4
505.22052	1.3
511.21021	1.3
515.24469	6.2
517.22198	1.7
518.22943	10.2
521.26099	4.8
531.24036	8.7
547.23138	2.1
549.25140	8.2
559.23383	4.9
563.25647	3.7
564.23541	20.4
591.26123	17.5
605.23761	1.7
623.25031	100.0
623.42700	7.8
624.24603	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.1
67.05507	2.7
69.03452	0.5
69.07088	1.1
69.36201	3.7
79.05519	1.4
81.03415	0.6
81.07072	2.6
83.08612	0.6
85.02887	0.7
91.05492	1.6
93.07063	1.1
95.08617	1.7
97.10144	0.6
100.49231	0.5
105.07051	1.0
107.08620	1.5
117.07099	0.7
119.08666	0.6
121.10202	0.5
122.09772	0.7
127.03963	1.0
128.33206	0.5
131.08601	1.0
133.10205	0.7
145.04922	0.6
145.10150	0.8
161.09464	0.8
170.19981	0.6
173.13445	0.5
206.08229	0.5
207.09319	0.8
209.10793	1.4
210.11394	0.6
221.10812	1.7
222.11519	1.1
223.08745	0.8
223.12260	3.0
224.13069	1.2
225.14018	1.1
235.12338	2.5
236.13162	2.4
237.13918	4.9
238.14720	3.1
239.15532	1.5
244.06688	0.7
247.12219	0.8
249.13911	2.4
250.14728	1.4
251.15501	5.0
252.16226	2.1
255.17906	0.6
261.13889	0.7
263.11911	0.9
264.12698	1.2
277.13382	0.7
334.29483	0.6
356.27118	0.6
360.37985	0.5
372.15439	0.6
374.16425	0.6
375.16901	0.8
377.17627	0.7
388.17645	0.8
389.18057	1.1
390.19318	0.8
401.18124	0.7
403.19659	0.8
404.21500	0.7
405.20972	1.0
417.21472	0.9
418.18515	1.8
419.18604	2.8
429.17218	1.8
431.14651	0.9
431.19330	0.8
432.15515	0.7
432.20746	1.0
433.15634	0.8
433.20657	2.2
434.21384	1.0
441.17249	0.8
443.18954	1.0
444.16428	0.6
445.16327	1.2
446.17642	1.8
447.17511	2.7
459.18524	1.0
460.20206	1.0
461.20233	3.5
462.20584	3.1
463.21661	1.1
470.18170	0.8
471.18307	1.6
472.19220	0.8
473.16205	1.1
474.21475	3.3
475.17505	1.8
475.22589	0.9
476.22412	5.8
477.23172	1.5
480.95682	0.6
485.19940	0.7
487.18454	1.8
488.19186	1.3
489.18918	3.4
490.19965	7.5
491.25195	0.7
499.17282	0.7
501.15710	1.0
502.20554	1.8
503.21194	4.1
504.21844	3.6
505.22504	1.8
513.19312	1.6
514.19678	0.6
515.17407	1.2
516.18066	0.6
517.19354	2.0
518.20392	0.7
519.24329	5.4
520.22540	0.7
521.21820	1.9
529.22693	1.4
530.20251	2.0
531.20587	4.8
532.21405	3.1
535.23645	5.3
545.22083	1.5
547.23553	16.6
548.20660	10.2
549.21460	4.0
551.26398	2.1
563.23071	18.4
573.21332	5.6
574.20172	1.1
576.19916	1.0
591.22430	100.0
592.22797	2.0
595.25433	5.2
605.24219	1.3
623.24921	9.3
623.42798	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	623.25
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65881	0.5
53.03948	1.1
55.01863	1.3
55.05512	6.7
57.03418	0.8
57.07076	0.7
59.58907	0.5
63.76917	0.4
65.03945	0.6
67.05505	10.5
69.03442	0.8
69.07081	3.1
79.05490	7.5
81.03409	2.6
81.07051	8.9
83.04973	1.3
83.08612	2.7
85.06519	0.8
91.05485	6.2
93.07039	5.6
95.04970	1.7
95.08602	5.0
97.06546	1.5
97.10166	4.3
101.58749	0.5
101.62427	0.5
103.05484	0.7
105.07034	6.1
107.04977	1.1
107.08604	4.1
109.06487	0.7
109.10136	3.3
111.08093	0.6
117.07048	3.3
119.08557	4.6
121.06484	0.7
121.10166	1.9
123.08038	0.6
123.11722	0.6
125.09629	2.7
128.06248	0.9
129.07028	2.6
131.08572	4.0
133.06485	0.5
133.10132	2.7
141.07002	1.5
142.07774	1.2
143.08540	2.5
145.10094	3.8
147.11702	1.6
149.09717	0.7
153.07018	0.8
154.07719	0.5
155.08556	3.3
156.09329	0.6
157.10139	2.2
159.11691	1.9
167.08578	0.9
168.09384	0.6
169.10147	3.3
171.10353	0.7
171.11655	2.7
173.13287	1.3
179.08640	0.6
181.10123	1.8
183.11662	3.1
184.07278	0.6
185.13316	1.7
189.11209	1.8
193.10039	0.8
194.98982	0.5
195.11707	1.5
197.13307	1.9
199.14787	0.7
204.65036	0.6
207.09302	0.6
209.10880	1.3
209.13292	1.7
211.14780	1.1
221.13365	0.8
223.12448	0.8
223.14870	0.7
225.16287	0.9
227.12878	1.5
235.14894	0.6
237.16347	0.6
249.10161	0.6
251.18021	0.6
257.19031	0.6
259.20651	0.9
273.18512	0.7
275.20062	1.0
291.19638	2.1
310.13382	0.7
315.23407	0.7
348.15286	0.5
362.16235	0.8
375.16669	0.8
376.16998	1.2
377.17822	2.3
378.18460	1.2
379.30164	1.5
385.14545	0.7
386.15311	1.1
387.16391	1.2
389.18158	1.0
390.18835	1.0
391.19235	2.8
392.19986	2.0
393.20667	2.2
399.16254	1.6
400.17203	1.3
401.17743	4.0
402.18872	1.2
403.19424	1.6
405.16327	0.8
405.20865	1.9
407.22421	4.1
408.23398	0.6
413.17776	1.1
414.18405	2.0
415.19397	6.0
416.20108	2.2
417.20648	2.4
418.18265	0.9
419.18512	2.1
420.19205	1.0
421.20239	2.1
425.17587	1.2
427.19595	1.2
428.19839	2.4
429.21628	3.5
430.21567	2.2
431.18420	0.9
431.23071	0.9
433.24255	1.6
435.21713	2.6
443.18054	1.8
443.22546	2.6
444.19034	3.1
445.20056	2.8
446.21368	1.0
447.18256	3.2
448.18869	1.9
450.19846	0.6
454.17984	0.8
456.19803	0.9
457.20343	2.1
458.20944	2.5
459.18243	1.8
460.18219	0.9
461.18802	3.0
462.20352	3.3
463.20746	3.5
468.19266	0.7
470.17349	0.7
471.22565	6.9
472.18521	1.0
473.18457	3.2
473.24649	0.9
474.20544	2.5
475.21027	3.6
476.18155	1.5
477.22742	2.3
483.22067	1.3
484.19025	1.2
485.20007	2.6
486.20547	4.0
489.23816	6.9
490.19073	4.3
491.20102	4.0
493.22754	0.9
499.21317	22.2
500.18567	2.3
501.23178	6.0
502.19806	0.8
503.20892	7.0
504.17758	0.7
507.23712	2.0
508.24744	1.3
511.21964	0.7
513.19281	2.3
514.19769	1.1
516.21637	1.3
517.14960	1.0
517.22357	12.1
518.22998	3.0
525.35767	1.8
527.20795	3.7
529.22339	11.8
530.19232	0.7
531.38257	1.9
535.23352	4.0
536.24152	1.4
545.21783	43.7
546.21936	0.7
547.26880	2.1
549.25037	2.3
550.25330	2.7
555.20258	2.5
563.22675	2.5
564.23492	3.2
573.21277	13.9
577.24738	1.0
579.29376	1.6
591.23376	2.2
595.25372	0.8
605.23895	90.2
605.41833	4.5
606.24249	1.1
623.24951	100.0
623.42291	22.6
624.24969	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2503
Annotation	Kadangustin C
Peak:m/z	Relative Intensity
52.04245	0.4
53.42012	0.4
55.05520	0.5
57.44469	0.4
57.63689	0.4
59.49471	0.4
60.08166	0.4
67.05505	1.2
69.07057	0.5
69.62115	0.7
69.62524	1.6
71.08119	0.4
74.91180	0.5
79.05488	1.4
81.07061	1.2
86.09718	2.6
87.10022	0.4
91.05453	1.0
93.07047	1.3
95.08630	1.2
95.31944	0.4
105.07059	0.7
119.08570	0.7
125.00005	1.9
131.08604	0.4
133.10101	0.5
145.10152	0.8
149.09578	0.5
168.08110	0.4
184.07373	7.7
185.07732	0.7
195.09300	0.4
196.10025	0.7
202.16014	1.3
203.16304	0.7
209.10797	0.4
221.11099	0.5
249.10378	0.4
298.13306	0.5
300.13794	1.3
301.13940	0.6
361.14978	0.5
364.17685	0.4
375.16513	0.6
376.17401	0.5
377.17654	1.2
387.16251	0.7
388.17697	0.4
389.17987	1.1
390.18646	0.9
391.19559	2.1
392.20020	1.5
393.20856	1.3
399.16278	0.7
400.17108	0.7
401.17810	2.2
402.18951	0.4
403.19357	1.2
405.20813	1.7
406.21744	0.4
407.22580	2.9
413.17642	1.4
414.18686	0.8
415.19388	2.5
416.20331	0.9
417.16635	0.7
417.21317	1.1
418.18085	0.8
419.18729	1.5
420.19196	0.5
421.20447	1.0
427.19272	0.7
428.20132	1.3
429.16333	0.6
429.21085	1.4
430.22058	0.8
431.18896	1.5
432.19846	0.7
433.15915	0.8
433.20697	1.0
435.21960	1.8
437.62424	0.4
441.17432	0.5
443.18152	1.0
443.23267	0.8
444.19608	1.8
445.20627	1.9
446.21082	1.5
447.17416	2.8
448.19302	1.4
456.19962	0.8
458.20932	1.4
459.18286	1.3
461.19611	2.4
462.20630	1.6
463.21240	1.4
471.22604	3.5
472.18585	0.9
473.18729	2.0
473.25137	0.5
474.20294	1.9
475.17065	1.1
475.21677	1.4
476.18039	0.6
477.18869	0.5
483.22250	0.7
485.19852	1.9
486.20728	1.9
489.22772	4.6
490.19586	4.5
491.20227	2.3
493.22546	0.8
499.21381	9.5
500.18600	1.4
501.23691	2.9
502.19781	0.9
503.20459	3.3
507.24661	1.9
508.24393	0.5
511.21564	0.7
513.19098	3.0
514.20190	1.4
516.21533	0.8
517.22382	12.4
518.21960	1.7
519.20471	0.6
521.21515	0.7
527.20752	1.5
529.22296	5.3
531.20160	2.0
535.23279	3.0
536.24097	1.0
537.63153	0.5
545.21869	19.2
546.22327	0.5
547.23401	3.9
555.20422	0.9
562.21564	0.4
563.22461	2.5
564.23505	2.9
573.21283	5.7
577.24847	2.4
591.22620	5.0
595.25610	1.3
605.23969	33.5
605.40076	0.9
623.25049	100.0
623.42188	3.7
624.25079	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
71.24131	0.8
71.24467	0.6
72.63306	0.6
73.35148	0.6
82.48734	0.6
99.92470	0.5
104.03631	0.7
124.32851	0.6
126.80319	0.6
365.35101	0.7
373.09113	0.7
376.17117	0.9
377.17715	1.5
378.09097	0.6
378.18323	0.7
386.15182	0.7
388.18451	0.7
389.18930	0.8
390.18567	0.9
391.19315	3.0
392.19943	2.4
393.20987	1.2
399.16287	0.9
400.17114	1.0
401.17935	1.4
402.19443	1.0
403.19775	1.1
403.93143	0.7
404.20810	1.5
405.20978	3.9
406.21542	3.0
407.22305	9.2
410.50647	0.6
413.17563	1.0
414.18512	1.6
415.19046	3.8
417.20883	0.8
419.22964	1.1
420.23260	1.7
421.23898	8.7
422.24734	1.3
427.19543	1.9
428.20160	2.0
429.20853	9.7
430.21573	2.8
431.17947	0.7
431.22827	0.9
433.20233	2.0
442.21686	1.4
443.22446	6.4
444.23657	3.0
445.20129	2.5
447.18179	2.1
449.23135	0.8
455.18536	1.1
456.19498	1.2
457.24927	3.9
458.24860	5.0
459.21854	6.9
460.22678	2.1
461.19257	4.3
462.20749	1.2
463.21442	0.7
470.21124	1.4
471.22137	0.9
472.22610	4.3
473.24033	0.9
475.20859	3.7
476.21820	4.1
477.23068	2.3
484.18753	0.9
485.23672	10.2
486.20480	2.2
486.25159	1.4
487.20923	0.9
488.21976	1.5
489.23080	2.4
497.07349	0.7
499.21274	3.3
500.22321	1.5
503.24442	5.8
513.22791	2.9
514.23529	1.4
515.24384	0.8
517.26276	5.9
529.26276	1.0
531.23730	1.2
535.27417	3.8
545.25507	63.6
546.25891	2.4
564.27338	0.8
573.24969	15.2
591.26068	1.5
605.27600	81.0
606.27936	1.9
623.28625	100.0
624.29602	2.9
624.37872	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21649	2.2
69.22076	1.3
81.07068	0.4
124.68904	0.4
134.64957	0.4
204.48177	0.3
264.15472	0.4
377.17648	0.4
388.17682	0.5
389.18784	0.5
390.18964	0.6
391.19229	0.7
392.20319	0.6
400.17294	0.7
401.18054	0.8
402.19568	0.4
403.19568	0.7
404.20868	1.1
405.20599	3.1
406.21832	0.9
413.17908	0.6
414.18585	0.7
415.19394	2.2
416.19958	0.6
417.20908	0.9
418.21530	0.6
419.18375	0.8
419.23007	0.6
420.23300	1.4
421.23761	2.3
427.19458	0.9
428.20148	0.6
429.21011	4.1
430.22330	2.2
431.18100	0.6
431.22977	0.7
432.23575	0.6
433.20294	2.2
433.24884	1.0
434.24734	0.8
441.21219	0.5
442.21805	0.9
443.22217	1.1
444.23529	1.8
445.19638	2.2
446.21133	1.4
447.18393	2.5
448.22638	1.0
451.21078	0.4
452.21976	0.6
456.19229	0.7
457.24701	2.7
459.21460	3.6
460.22595	3.7
461.19516	11.5
465.22647	0.4
470.20831	0.7
471.21472	0.4
472.22482	1.6
473.19727	1.2
475.20679	4.0
476.21979	10.3
477.26584	1.1
485.23578	13.1
486.20203	3.7
487.20355	0.5
487.25104	1.4
488.22195	1.9
489.23138	2.7
493.21960	0.6
497.23523	0.8
499.21246	0.8
500.22125	1.5
502.23743	0.8
503.24481	11.8
504.25122	0.4
505.22510	1.1
507.23849	0.5
513.16125	0.5
513.22699	2.2
515.24432	11.8
515.32166	0.6
516.23529	0.4
521.25555	10.6
521.33081	0.7
531.23926	20.5
532.25012	0.5
535.23761	1.4
541.21869	0.9
545.25720	0.8
549.24963	18.6
559.23407	7.7
563.26550	1.3
564.27063	1.0
591.26044	35.8
592.26190	0.9
623.28668	100.0
624.28839	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28450	0.4
54.13960	0.4
69.72175	1.0
69.72577	1.6
90.01485	0.4
95.83943	0.4
98.20855	0.9
123.83816	0.4
160.55685	0.4
168.40858	0.4
175.17651	0.4
314.22516	0.5
377.17383	0.6
385.15100	0.5
389.18698	1.1
390.18500	0.5
391.19287	1.6
400.16953	0.5
401.17914	1.2
402.19275	0.7
403.19540	0.8
404.20804	1.6
405.20837	3.7
406.21854	0.8
413.18289	0.6
414.18512	1.4
415.19257	3.3
416.20160	0.7
417.21021	1.3
419.22839	1.0
420.23193	1.8
421.24026	3.0
427.19611	0.9
428.20181	1.2
429.20837	4.9
430.22092	2.3
431.18463	1.4
431.23257	0.8
432.23615	0.7
433.19269	3.0
433.24896	1.3
434.25247	1.1
441.21106	0.8
442.21906	1.1
443.22461	1.6
444.23273	1.8
445.20145	3.4
446.21506	0.9
447.17407	3.4
448.22754	1.0
449.23001	0.5
456.19678	0.7
457.24689	3.4
458.25208	0.9
459.21582	3.3
460.22693	4.4
461.19550	13.3
470.21423	0.6
471.18195	0.7
471.21463	0.4
472.22958	2.4
473.19775	1.3
474.20819	0.7
475.21677	2.9
476.22049	13.3
477.26685	1.4
485.23608	11.5
486.20038	4.1
487.20166	0.6
487.25433	1.4
488.22394	2.9
489.23383	3.1
491.20538	3.0
492.25336	0.9
493.26199	0.7
497.23801	0.6
499.21182	0.7
500.21869	2.2
502.23462	0.6
503.24585	13.3
504.21371	0.7
505.22397	0.9
507.24347	0.8
513.23138	1.3
515.24475	11.6
518.23163	1.0
521.25598	10.7
531.23956	21.6
532.24420	1.0
535.23712	1.1
541.22589	1.0
549.25031	18.5
559.23505	8.5
563.26215	0.6
564.24786	1.7
591.26080	44.0
592.26416	1.6
623.28723	100.0
624.29462	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	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95155	0.2
55.05507	0.8
67.05507	1.3
69.07063	0.7
69.17054	1.7
69.17459	0.5
71.01019	0.2
71.03291	0.2
79.05494	0.9
81.03418	0.3
81.07058	1.5
83.04977	0.3
91.05486	1.0
93.07044	1.2
95.04979	0.5
95.08630	1.2
97.10186	0.2
105.07033	0.9
107.08623	0.9
107.15190	0.2
109.10206	0.6
117.07048	0.4
119.08592	1.0
121.10137	0.6
123.11716	0.3
129.07002	0.2
131.08594	0.6
133.10152	0.5
135.11708	0.5
143.08594	0.3
145.10127	0.4
151.11220	0.4
157.10091	0.3
159.11646	0.3
161.60515	0.2
175.11343	0.2
187.14780	0.3
275.20142	0.7
277.21738	0.9
278.22052	0.5
283.88370	0.2
293.21085	0.8
295.22794	0.8
389.17871	0.5
390.18979	0.4
391.19394	0.3
401.17801	0.8
402.18549	0.6
403.19345	1.3
404.20062	0.6
405.20850	1.0
406.21634	0.5
415.19791	1.1
416.20410	0.5
417.17111	1.2
417.21094	1.0
418.21857	0.4
419.17810	0.2
419.22604	1.6
420.23254	0.5
428.15994	0.3
429.16577	0.6
429.21231	0.8
430.17291	1.9
431.18045	2.9
432.23248	0.9
433.20361	1.0
435.22073	0.7
443.18274	2.2
444.19107	2.5
445.20145	8.0
446.21033	2.8
447.22388	1.8
457.20322	1.0
458.21033	7.9
459.21756	5.2
459.27444	0.4
460.22852	5.1
461.19601	5.3
462.20132	0.6
463.21304	0.3
471.17386	0.3
472.22559	0.3
473.23477	0.5
474.20889	0.4
475.21249	2.3
476.21866	1.2
477.22708	2.6
487.25418	0.4
489.18680	0.5
489.23474	0.5
490.23581	0.9
491.24777	1.5
502.23816	0.3
503.21005	0.8
504.21207	0.3
505.22617	0.8
516.21606	0.7
517.22296	1.3
518.23145	3.0
519.24048	3.4
531.23914	1.4
532.24591	1.8
533.26086	1.2
535.23285	2.8
548.24200	0.6
549.25323	0.6
559.23340	0.4
563.26093	2.6
573.24353	0.3
576.23901	0.5
578.25195	1.0
591.26074	16.3
592.26550	1.2
605.27545	0.8
605.41144	0.3
623.28656	100.0
624.29126	1.9
636.96326	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89861	3.0
53.03940	5.6
55.01870	6.9
55.05513	30.7
57.03424	5.3
59.04995	3.5
61.02920	4.5
67.05513	35.9
69.03435	20.9
69.07075	35.3
70.06573	5.7
71.04982	6.7
71.53080	3.0
73.02925	3.0
79.05500	38.7
81.03436	20.1
81.06599	5.3
81.07065	100.0
83.04974	12.8
83.08614	12.3
85.02930	25.5
85.06532	9.2
86.09718	5.7
87.00819	9.2
91.05090	2.4
91.05496	29.9
93.07054	59.8
95.04989	29.7
95.08617	78.8
96.27142	2.6
97.02916	17.0
97.06521	13.2
97.10186	47.6
99.04465	8.3
99.08081	6.6
103.03943	6.0
105.01867	7.6
105.07037	56.6
107.04977	5.5
107.08604	49.2
108.08133	3.2
109.02900	13.7
109.06499	14.9
109.10164	49.2
111.08087	10.9
111.11735	7.2
113.05957	3.8
117.07010	6.2
117.82733	3.1
119.04910	5.9
119.08588	40.6
120.08115	7.2
121.06505	5.6
121.10161	39.5
122.76550	3.3
123.04452	4.6
123.08096	8.4
123.11710	45.2
125.09628	13.5
127.03932	25.8
129.07008	6.4
131.08598	16.3
133.10135	29.3
135.08090	5.6
135.11726	24.8
136.07578	5.8
137.09581	8.4
137.13266	4.6
139.11182	20.0
143.08530	5.0
143.10657	9.4
145.04938	8.1
145.10141	21.7
147.04413	13.6
147.11690	44.6
148.07628	16.6
149.09615	8.5
149.13268	20.7
151.00978	2.6
151.11172	15.1
153.12759	10.7
153.29091	3.2
155.08456	4.4
155.10608	6.0
157.10132	8.2
157.12199	6.8
159.08028	3.4
159.11707	22.9
161.09605	4.4
161.13249	20.0
163.03868	6.7
163.11121	8.2
163.14822	8.5
165.09178	3.8
165.12750	9.8
167.10689	4.6
169.10063	3.6
169.12126	3.4
171.11710	10.1
172.03989	7.2
173.11888	3.6
173.13286	10.8
175.11205	3.4
175.14833	9.4
177.05486	5.0
177.12743	5.9
181.12286	3.7
185.13235	4.9
187.13274	4.3
187.14819	12.5
189.12733	4.9
191.14339	4.3
199.14816	3.2
201.16356	5.2
203.12723	4.2
204.06601	6.3
205.15834	7.9
207.13763	8.4
209.15356	11.5
211.14719	3.7
223.16840	3.6
227.16435	5.1
242.43513	3.3
251.16437	4.8
252.08606	5.2
256.58759	3.1
267.21155	5.2
275.23724	6.0
281.17487	64.6
285.22125	16.6
291.23178	9.4
293.24887	4.7
303.23184	68.7
309.24149	11.2
321.24261	63.3
325.11722	4.3
339.25287	33.5
357.26300	7.7
483.03534	3.5
488.18051	9.8
551.28357	5.2
579.25244	4.5
592.18903	13.0
601.71655	3.6
623.25012	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	623.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45071	1.6
53.03945	2.9
55.01868	3.8
55.05265	2.8
55.05511	22.6
57.03428	4.0
57.07084	3.4
59.04988	2.2
60.12288	1.7
61.02932	2.8
67.05508	24.0
69.03433	18.4
69.06731	2.8
69.07074	38.8
70.19610	2.3
71.04994	10.5
73.02914	2.1
79.05498	17.4
81.03423	18.6
81.07063	100.0
83.04973	7.5
83.08630	13.0
85.02914	22.3
85.06538	5.0
87.00814	10.2
91.05486	14.0
93.06491	2.9
93.07052	52.0
95.04975	24.6
95.08615	64.8
97.02894	9.9
97.06542	10.3
97.10172	24.8
98.21524	4.2
99.04447	4.3
99.08084	4.7
105.01865	5.3
105.07038	31.7
107.08604	40.2
109.02883	11.9
109.06511	6.6
109.10170	44.5
111.08091	10.0
111.11768	9.1
113.06073	2.3
115.07625	1.8
117.07028	3.3
117.83250	1.7
119.08595	26.2
120.08041	1.9
121.06525	4.2
121.10152	41.4
123.08047	3.4
123.10834	3.3
123.11720	57.5
125.05932	2.0
125.09641	3.8
125.13235	1.7
127.03918	16.7
131.08548	5.5
133.10129	16.3
135.08047	2.9
135.11703	32.6
137.09673	3.7
137.13257	11.8
139.11182	18.0
141.12733	4.1
143.10600	2.0
145.04948	4.0
145.10138	17.0
147.11697	31.1
148.07533	2.0
149.13248	10.7
150.08508	1.9
151.11185	6.0
151.14764	1.9
153.12683	11.3
157.12230	9.5
159.02870	2.5
159.11722	15.2
161.13243	10.2
163.11232	8.9
163.14845	4.3
165.12766	7.3
169.12268	5.7
171.11685	2.1
171.13818	5.4
173.13252	4.9
175.14861	4.7
175.90955	1.9
177.12778	3.0
177.16380	2.4
179.14337	2.2
181.12167	4.1
187.13292	13.3
187.14850	4.8
188.72873	1.6
189.12802	1.7
190.28952	1.7
195.17526	2.1
201.16393	2.2
203.12787	6.9
205.15752	1.8
207.13913	2.2
211.14877	2.9
213.03931	4.1
215.17929	2.0
217.14288	2.0
219.41608	1.7
223.17125	1.8
231.04848	3.2
237.18553	2.7
251.16438	4.5
257.22531	5.3
267.20975	3.3
275.23758	15.5
285.22168	7.7
291.23245	10.5
293.24728	12.7
303.23203	87.8
309.24390	10.2
321.20712	3.6
321.24261	50.3
339.25323	20.1
357.26279	6.4
465.28915	1.8
482.28152	2.1
502.88809	2.2
515.26782	1.8
533.27667	4.0
551.28473	5.8
560.88110	1.9
569.29327	2.8
602.05566	2.0
626.71393	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	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01866	2.8
55.05278	1.1
55.05516	15.1
57.03440	7.0
61.02613	1.1
61.02932	19.7
65.03942	2.6
67.05507	31.0
69.03075	1.0
69.03431	5.7
69.07064	11.4
71.04996	2.6
72.27383	1.0
73.02914	6.5
76.26904	0.9
77.03972	1.6
79.05075	1.9
79.05499	24.2
81.03417	5.9
81.07063	25.9
83.04970	2.7
83.08622	10.7
85.02907	15.7
85.06538	2.9
87.34874	1.0
91.03961	9.3
91.05489	33.5
91.82770	1.0
93.07049	25.3
93.22090	1.0
95.04972	6.3
95.08054	1.6
95.08614	17.5
97.02914	10.2
97.06531	4.7
97.10178	3.3
99.08100	1.7
103.05450	1.9
105.07037	24.9
107.04947	4.4
107.08588	12.3
109.02866	1.0
109.06512	4.2
109.10166	8.5
111.08090	3.4
115.03878	1.1
115.04711	1.1
115.05465	3.5
116.06234	1.1
117.07024	25.8
119.04922	1.4
119.07794	1.8
119.08584	16.9
121.06527	5.1
121.10152	7.5
123.08062	4.6
125.09622	3.3
127.03893	2.6
128.06200	5.8
129.07010	27.5
131.04916	2.0
131.08577	31.1
131.30817	0.9
133.06508	5.3
133.10126	11.8
135.08090	3.8
135.11678	2.8
137.09665	2.4
139.11183	1.2
141.06998	9.5
142.07768	3.1
143.08563	22.8
145.06493	5.3
145.07545	1.2
145.10133	15.0
147.08084	5.4
147.11697	3.9
149.09595	4.5
149.13292	1.3
153.07024	2.2
154.07816	2.4
155.08562	18.6
156.09319	1.5
157.06487	2.4
157.10109	14.6
159.08047	3.3
159.11723	8.1
160.11118	1.1
161.09612	3.8
161.13252	2.2
163.11201	2.8
165.07027	3.2
165.09027	1.1
167.08604	9.0
168.09363	1.7
169.10110	13.7
171.08054	4.0
171.11717	8.8
173.09636	3.0
173.13258	3.3
175.11147	2.7
177.12788	2.5
179.08574	2.5
180.09338	1.2
181.10130	9.3
183.08133	1.1
183.11649	8.4
185.09605	3.2
185.13239	5.9
187.11244	2.6
189.12688	1.7
193.10173	4.6
193.12241	1.7
195.11716	11.1
197.09709	1.9
197.13202	4.7
199.11218	2.5
199.13104	1.4
199.14900	2.6
201.12782	1.9
203.14319	1.4
205.10086	1.3
207.11658	3.3
209.13263	4.5
211.11163	2.4
211.14888	3.0
213.12807	2.8
213.16479	2.0
215.14355	3.9
217.12305	1.0
219.11684	1.4
221.13234	9.3
221.15230	1.2
223.14807	5.9
224.95895	1.0
225.12776	2.7
225.16415	2.8
231.13924	1.4
231.17293	1.2
233.13223	1.4
233.15492	1.3
235.14815	4.4
237.12614	1.2
237.16472	1.7
239.14328	3.5
241.16052	2.1
247.14871	1.9
249.16457	1.7
253.15909	3.2
257.15353	2.6
259.17123	1.1
267.17453	1.8
271.16864	3.0
275.16464	1.1
275.20029	1.2
285.18420	2.0
289.17975	1.5
315.21075	2.1
323.23694	5.2
333.22235	10.3
341.24710	6.2
351.23193	33.9
366.10901	1.1
369.24295	28.3
387.25284	17.6
405.26471	1.3
407.26190	1.4
415.28217	1.7
425.26785	7.4
433.29367	1.9
443.27948	100.0
444.28262	1.6
461.29013	66.4
503.29916	1.2
605.32867	1.8
623.33844	3.3
623.43237	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.0
54.59712	0.8
54.82454	0.9
55.01871	4.3
55.05511	13.2
57.03443	10.3
57.07065	1.2
63.29722	0.8
65.03933	5.5
65.04549	0.7
67.05507	55.9
69.03419	1.9
69.07067	11.3
71.04991	2.8
77.03917	0.8
79.05498	32.4
81.03417	4.2
81.07058	35.6
83.04987	3.7
83.08617	6.7
85.06545	6.1
91.05488	36.5
93.07048	32.3
95.01345	1.9
95.04973	52.8
95.08614	23.6
97.06521	5.6
97.10183	3.1
99.08145	1.0
103.05463	1.8
105.04499	1.4
105.07034	35.2
105.50082	1.0
107.04951	11.1
107.08593	16.7
109.02938	0.9
109.06522	27.2
109.07271	1.5
109.10175	6.7
111.04457	0.8
111.08076	2.9
113.06010	11.5
115.05458	3.4
116.06238	1.0
117.07024	18.2
119.08591	21.7
121.06518	5.7
121.10137	8.8
123.08064	7.4
123.11729	2.2
125.09647	1.9
128.06262	3.3
129.07016	10.3
130.07809	1.2
131.08575	24.0
131.09537	1.6
133.06494	3.0
133.10143	15.2
133.11139	1.5
135.08055	12.6
135.11694	9.1
137.05998	1.2
137.09621	2.0
141.06966	4.5
142.07841	2.4
143.08574	14.8
144.09430	1.1
145.06480	3.6
145.10104	15.2
147.08054	7.0
147.11681	9.0
149.09612	4.1
149.13286	4.6
151.11092	1.0
153.07068	1.1
155.08565	6.0
156.09283	0.9
157.06540	1.4
157.08916	1.4
157.10135	9.7
159.08105	2.7
159.11697	12.1
161.09645	5.0
161.13297	3.8
163.11218	3.5
165.06982	1.0
167.08582	2.5
169.10164	6.6
171.11679	8.4
173.09674	2.1
173.13264	5.5
175.11192	1.9
175.14828	2.4
177.12828	2.3
179.08601	2.1
179.14267	1.1
181.10190	3.2
183.11694	5.0
185.09686	1.7
185.13289	4.5
187.11208	4.2
187.14882	3.8
189.12761	2.1
189.16367	1.4
193.10153	2.1
195.11768	3.3
197.13260	4.1
199.11266	1.8
199.14737	4.1
201.12776	1.2
201.16426	2.2
205.10339	1.0
205.12289	1.3
207.11720	1.8
207.13754	0.9
209.13271	2.7
211.14876	2.7
213.16454	2.6
215.14400	1.4
215.18019	1.2
217.15833	3.9
219.11720	1.3
221.13191	1.2
225.16553	1.8
227.18031	1.4
235.14787	2.0
237.16403	1.9
239.17902	1.1
241.16159	0.9
241.19571	3.6
245.19089	2.3
255.17575	1.7
257.19086	2.6
259.20615	6.5
261.22171	0.8
271.16824	1.5
273.18488	21.2
275.20160	2.2
279.15958	7.7
283.20389	0.9
291.19525	23.1
313.21777	0.9
315.23071	2.4
321.22189	0.9
325.25125	0.9
327.26978	2.0
333.24451	5.3
347.22141	9.4
349.23679	1.0
365.23395	2.1
405.21362	1.2
442.16638	0.8
513.37531	3.2
531.38458	3.8
549.39313	2.8
563.26727	0.9
565.38977	1.6
567.40363	1.6
595.43329	1.3
605.41992	16.7
623.28625	7.6
623.43109	100.0
624.43365	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	623.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.7
55.01873	5.2
55.05514	25.3
57.03436	3.5
57.07083	2.4
59.04992	1.2
60.68880	1.0
65.03931	2.7
65.32338	1.0
67.05511	34.5
69.03436	2.9
69.07073	15.0
71.04996	2.3
79.05069	2.1
79.05502	28.4
81.03421	1.9
81.07062	27.0
83.02139	1.2
83.04987	4.5
83.08628	13.0
85.06562	2.1
91.05483	22.4
91.06023	1.6
93.07050	23.5
95.04955	4.0
95.08620	17.8
97.02882	1.7
97.04258	1.0
97.06551	2.5
97.10181	16.5
103.05482	1.7
105.04520	1.5
105.07038	18.2
107.04963	3.6
107.08591	17.4
109.10156	11.9
111.08054	1.0
115.05477	2.7
117.07031	14.7
119.08591	18.5
119.09383	1.7
121.06552	1.5
121.10148	7.1
123.08108	1.3
123.11782	1.5
125.09652	12.6
128.06242	4.0
129.07001	14.8
131.08572	14.2
133.06523	1.5
133.10130	11.7
135.08046	4.2
135.11707	2.9
141.07002	7.0
142.07814	2.7
143.08568	12.5
145.06557	2.4
145.10124	10.2
147.08064	1.8
147.11700	4.4
149.09610	1.2
149.13300	1.7
153.06903	1.9
154.07767	3.1
155.08569	12.1
156.09303	1.2
157.10133	11.7
159.00330	1.1
159.08144	1.3
159.11682	9.4
161.09692	2.0
161.13268	2.0
163.11241	1.5
165.06990	1.9
167.08597	7.9
168.09399	2.7
169.10135	11.6
171.11661	9.7
173.11977	1.4
173.13307	4.8
175.14886	2.1
177.12682	1.4
179.08598	3.2
180.09518	1.7
181.10144	7.3
183.11687	10.3
185.13223	5.9
187.14883	2.3
189.11182	7.6
189.12686	1.0
193.10139	3.3
195.11740	5.5
197.09738	1.6
197.13249	8.2
199.14827	3.5
205.10036	1.5
207.11768	2.4
209.13400	5.0
211.14806	4.7
213.12808	1.5
213.16411	3.7
219.11775	2.3
221.13374	2.6
223.14877	3.5
225.16418	3.1
227.12741	9.7
227.17973	2.1
235.14851	2.9
239.18025	4.6
241.16057	1.5
241.19522	1.7
245.13310	1.2
249.16505	2.0
251.17938	2.1
253.19597	2.3
255.17723	1.2
257.19092	1.9
259.20694	1.9
265.19632	1.7
268.38959	1.2
271.20520	1.5
275.20160	3.8
285.21799	1.2
289.18103	3.5
291.19525	8.1
297.22296	1.6
309.22208	2.3
318.18683	1.1
361.25073	1.3
365.23773	1.7
377.28595	1.6
379.30093	8.6
433.31174	1.5
477.23074	3.5
491.21027	3.8
513.37189	3.7
525.35822	7.6
531.38318	5.7
536.24097	3.9
549.39648	4.8
554.35901	2.4
563.23566	2.5
591.22498	2.2
605.32990	2.1
605.42102	18.3
623.26196	23.9
623.43073	100.0
624.26453	1.4
624.43127	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	624.219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.05510	3.4
65.03944	2.3
67.05499	4.1
69.03432	1.6
69.07063	4.9
70.06588	2.5
70.32467	4.4
73.00253	1.2
79.05511	8.1
81.03412	3.6
81.07065	8.0
83.04978	1.8
85.02892	3.1
86.09719	1.5
89.03938	2.1
91.05496	6.5
92.05015	2.0
93.05761	1.5
93.07056	8.8
94.06570	7.9
95.04969	3.5
95.08607	4.1
97.06527	2.9
99.04414	1.8
103.05461	6.4
105.05808	2.0
105.07023	3.7
106.06528	2.1
107.08607	3.5
108.08128	15.9
108.08839	2.1
109.10141	2.3
110.09730	2.0
116.04967	5.1
117.05811	1.4
118.06526	4.4
119.04964	2.3
119.08578	2.6
120.04489	8.0
120.08105	38.3
121.10136	3.7
122.06038	13.2
122.09650	1.7
123.11714	2.3
124.07611	2.2
125.09696	1.4
127.03938	2.7
132.08102	1.7
133.10112	1.8
134.06015	3.7
135.11749	2.2
136.07579	29.2
138.05511	7.6
138.09099	3.0
143.08479	1.3
144.04462	9.3
145.02892	2.3
146.06012	10.7
147.04422	6.5
147.11708	3.0
148.07581	98.7
150.05539	1.5
150.09073	1.5
160.03975	2.7
160.07480	2.1
161.13315	1.4
162.05507	5.7
163.03979	2.1
163.11119	1.8
164.07072	2.1
165.05305	1.4
166.04997	6.3
166.08620	6.9
172.03937	44.5
174.05450	2.6
177.05450	4.5
180.06595	1.7
184.09985	2.3
186.05603	2.7
190.05016	22.1
197.10675	2.3
198.11656	1.8
204.06558	27.1
208.09714	4.2
209.10783	3.6
211.08505	1.8
211.12355	2.0
212.09450	5.5
213.10258	2.5
216.06537	2.5
222.07614	1.6
222.11354	1.8
223.08702	2.4
223.12323	3.5
224.09370	5.4
225.10268	8.5
226.11090	3.9
227.11844	7.7
235.08627	3.6
236.09486	5.0
237.10210	19.0
238.11043	3.3
239.08141	3.4
239.11826	7.4
241.09763	4.9
249.10251	2.4
250.07361	3.1
250.10956	2.8
251.08203	4.1
251.11815	13.1
252.08687	36.8
252.12640	1.8
253.09709	12.3
253.13417	1.6
255.11282	12.8
263.11761	1.3
264.08902	4.1
265.09750	29.0
266.10446	4.0
267.11398	6.5
271.10779	3.7
273.12241	1.7
278.06616	15.7
278.09708	1.7
279.11249	17.5
280.08545	1.9
280.11884	2.4
281.09561	2.7
281.12805	7.6
283.10736	9.8
285.12360	4.2
292.08102	4.6
293.09225	27.8
294.09998	5.9
295.10690	2.9
297.12350	5.7
299.10315	2.9
299.13712	2.1
304.23618	2.5
307.10648	11.8
309.12302	5.2
311.10501	6.4
312.11038	5.3
313.11975	6.2
315.13678	2.1
316.14349	2.1
322.24503	3.5
323.10257	1.6
325.11844	17.0
327.13589	1.6
333.14328	3.0
335.10242	10.8
339.13477	6.6
340.10669	2.3
341.11285	15.4
344.13986	1.8
353.11276	17.7
359.12317	4.4
360.16882	2.4
367.12756	1.8
373.14069	5.1
385.13885	5.0
400.16757	1.4
411.11890	17.8
418.17477	2.9
443.14688	6.7
443.78265	1.4
444.19299	2.8
449.42294	1.5
454.96698	1.3
460.18671	17.5
470.17230	1.8
488.18213	57.3
506.19437	10.9
507.20297	2.2
520.20813	3.7
530.19360	2.7
538.21393	1.4
548.20453	6.4
550.18024	1.5
551.18915	12.9
564.19830	6.6
567.25543	1.4
574.18329	7.5
592.19281	100.0
593.19159	2.2
596.21942	2.0
606.20953	1.8
624.21808	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	624.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66336	1.1
55.01871	1.3
55.05524	2.7
64.95208	1.3
65.03944	1.5
67.05506	3.5
69.03412	1.7
69.07082	5.4
70.06593	1.5
70.31985	1.7
70.32365	2.3
79.05501	7.4
80.05035	1.7
81.03425	2.8
81.07066	9.0
82.07385	1.1
83.04981	1.8
85.02893	3.3
87.00838	1.2
89.03896	1.2
91.05476	5.4
92.05819	1.5
93.07050	10.4
94.06573	7.1
94.07392	1.5
95.04974	4.8
95.08605	5.2
96.08160	1.4
96.08958	1.4
97.06568	1.6
97.10193	3.0
99.04478	1.8
103.03957	1.5
103.05484	5.4
105.05766	1.2
105.07040	5.3
106.06554	1.0
107.08592	3.9
108.04469	1.6
108.08131	14.4
109.02827	1.6
109.06521	1.4
109.10187	2.8
110.09693	2.1
111.11756	2.2
116.04994	4.8
118.06555	3.7
118.88805	1.1
119.04947	1.3
119.08592	2.5
120.04455	7.2
120.07249	2.1
120.08113	35.0
121.10160	3.0
122.06035	13.3
122.09688	2.2
122.43378	1.2
124.07593	2.7
127.03925	1.6
131.08578	1.8
132.08104	2.1
133.10124	2.9
134.06044	2.0
135.08051	1.8
135.11742	2.2
136.07585	26.9
137.09538	1.1
137.73389	1.0
138.05490	9.2
138.09119	2.4
139.11177	2.0
144.04491	6.0
145.10104	2.1
146.06029	7.3
147.04436	3.9
147.11703	2.7
148.07584	100.0
148.12025	1.6
149.13245	1.2
150.05536	2.8
150.09154	2.2
152.03470	1.1
152.07098	1.9
159.11700	1.6
160.03946	1.7
160.07599	2.1
161.13258	1.8
162.05554	5.7
162.09210	2.1
163.03931	1.5
163.07417	1.3
163.11209	1.0
164.07094	2.7
166.05003	7.4
166.08646	8.3
172.03946	38.0
174.05502	3.0
177.05527	2.6
178.04939	1.6
180.06573	1.3
182.09555	1.3
183.09138	1.1
184.07385	1.3
184.09982	1.7
186.05542	1.8
188.07135	1.6
190.04996	19.9
192.06573	1.6
194.09769	1.2
196.09898	1.3
197.10780	2.6
198.11533	1.7
204.06586	23.0
208.09705	2.8
209.10794	2.9
211.12292	2.7
212.09497	4.6
213.10196	1.7
216.06595	2.3
221.10799	1.2
222.07841	1.2
222.11542	1.8
223.08694	2.7
223.12338	1.9
224.09351	6.5
225.10197	8.9
226.11038	4.1
227.11760	5.2
235.08711	3.1
236.09462	4.1
237.10265	19.3
238.11023	3.1
239.08113	3.1
239.11800	5.8
240.09123	1.2
241.09761	4.5
248.09380	1.8
249.10251	2.7
250.07346	1.6
250.11011	1.5
251.08212	3.4
251.11758	12.2
252.08705	39.5
252.12611	2.3
253.09744	10.8
253.13361	2.0
255.11250	11.6
263.11826	1.2
264.08813	2.6
265.09723	27.4
266.10501	4.3
267.11307	6.1
269.12793	1.9
271.10797	3.9
273.12244	1.4
277.09988	1.4
278.06638	12.4
278.09732	1.8
279.07953	1.8
279.11282	18.8
280.08502	2.6
280.11963	1.6
281.09372	3.0
281.12912	6.4
282.17889	2.1
283.10800	7.2
285.12454	1.8
289.09784	1.5
291.11230	1.4
292.08331	4.9
293.09198	23.9
294.10016	3.8
295.10889	3.7
296.11725	1.4
297.12277	8.6
299.10254	3.3
300.11139	1.6
303.23138	3.1
304.23505	4.4
305.24878	1.6
307.10757	10.4
309.12366	4.6
311.10422	5.0
312.10898	5.3
313.11920	6.6
321.24036	2.5
322.24664	3.5
323.10269	2.3
323.25897	2.1
325.11838	14.8
327.13303	3.3
333.14389	3.1
335.10287	10.4
339.09857	1.5
339.13461	8.4
340.10690	2.4
341.11264	17.7
353.11343	17.4
355.13159	1.3
359.12311	4.0
367.12802	1.8
372.16953	1.6
373.14044	3.7
385.14087	4.9
388.16797	1.7
390.18250	1.7
400.16629	1.4
411.11938	16.2
416.20078	1.5
418.17712	4.2
429.12827	1.4
432.19104	3.8
442.18057	1.8
443.14566	5.0
444.19040	3.0
460.18692	13.7
462.38785	1.3
470.17172	1.5
488.18225	59.4
492.21277	2.1
506.19089	9.4
507.19946	2.0
520.20569	3.1
530.19373	2.6
548.20313	4.1
551.18945	10.3
564.19873	6.9
574.18134	7.9
580.23242	1.3
592.19293	83.8
593.19287	2.1
606.20215	1.5
612.77557	1.3
624.21429	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	624.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.0
55.01861	5.5
55.05521	17.8
55.70164	2.6
55.94650	2.6
56.62445	2.7
57.03421	4.9
57.07074	5.0
61.02925	4.7
67.05515	27.9
69.03429	15.8
69.07073	44.6
69.21960	27.9
71.04970	5.4
79.05492	23.0
80.04967	3.2
81.03426	19.6
81.07065	89.1
83.04971	6.1
83.08605	10.9
84.04481	2.5
85.02913	38.2
85.06524	7.8
87.00841	15.1
91.05489	15.9
93.07054	42.9
95.04949	6.6
95.08067	4.8
95.08617	61.6
97.02905	13.8
97.06518	8.6
97.10184	24.3
99.04448	6.3
103.05457	3.1
105.01850	11.8
105.07037	20.3
107.04932	3.3
107.08602	46.3
108.08112	6.1
109.02872	9.8
109.10162	40.9
111.08099	6.8
111.11701	9.8
113.82566	2.5
117.07011	3.7
119.08582	23.2
120.08123	17.1
121.10160	33.2
122.06059	13.1
123.08056	4.9
123.11715	65.9
124.27206	3.0
125.09607	4.7
127.03935	15.9
131.08543	4.3
133.10143	14.0
135.11743	20.1
136.07597	5.1
137.09608	4.1
137.13243	9.8
139.11186	23.8
145.04973	8.6
145.10103	4.0
147.04341	3.7
147.11673	15.0
148.07582	49.2
149.09528	3.3
149.12209	4.1
149.13283	45.8
151.11214	4.8
153.09146	3.0
153.12698	3.9
155.14322	3.9
157.12236	13.4
159.11731	4.6
161.09616	4.3
161.13205	7.8
163.03941	4.4
163.14795	12.2
165.12817	6.3
175.11272	2.6
175.14857	4.5
177.16437	4.1
181.12273	3.9
189.16391	5.0
195.17583	2.9
203.12802	4.3
209.15341	3.6
213.16409	4.1
231.04938	4.4
237.10193	12.6
239.11902	3.8
249.10175	3.0
251.08125	9.4
253.09702	7.0
259.24240	6.0
264.08945	5.5
265.09790	25.6
266.10437	10.1
269.22549	5.5
277.25256	7.5
279.07672	25.2
279.10675	4.9
280.08478	5.6
281.09268	6.9
281.12753	3.2
287.23694	9.0
292.08441	9.7
293.09213	21.9
293.24741	16.7
294.09888	10.4
295.10764	4.2
305.24765	100.0
307.10565	7.8
309.12314	8.8
311.25720	6.7
315.96591	2.9
320.07849	6.7
323.25815	92.3
325.11758	7.2
335.10220	5.0
338.08856	19.4
341.26932	26.2
353.11337	57.4
367.13074	3.2
373.13925	9.4
385.13892	12.8
431.27817	3.9
444.52518	3.5
448.26907	3.5
462.29724	4.3
488.18015	7.1
520.20746	4.1
535.29321	4.7
538.21771	9.7
548.20294	17.6
580.22925	48.6
592.19470	15.9
624.21960	59.3
625.22559	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	624.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.6
57.03424	9.7
57.07084	47.7
67.05506	41.7
69.07057	11.7
70.91084	14.5
71.08648	30.5
71.68201	6.0
79.05510	31.5
79.05891	7.1
81.07064	36.5
83.08616	18.6
85.10200	14.8
90.83244	7.2
91.05483	42.9
93.07066	31.9
95.08587	28.3
97.10165	8.7
105.07043	51.7
107.08593	20.8
109.10201	15.9
117.07023	12.1
119.08576	35.0
121.10147	12.6
123.11700	7.8
129.06990	9.6
131.08551	10.4
133.10118	37.4
135.11685	19.5
145.10114	16.8
147.11708	34.2
147.44739	7.5
149.13297	10.5
157.10172	7.9
159.11679	15.4
161.13310	30.2
171.11676	12.5
173.13292	15.8
175.14842	16.7
185.13260	5.9
231.21075	8.0
237.47122	7.2
241.19507	30.6
259.20627	89.3
313.27405	100.0
324.44116	7.3
333.24289	58.3
571.46747	10.8
589.47906	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	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.4
67.05495	1.0
69.07050	0.8
69.92948	1.5
79.05484	1.0
81.07055	1.3
91.05502	0.9
93.07066	0.8
95.04980	0.5
95.08612	0.7
98.21471	0.4
105.07035	0.8
107.08594	0.5
107.60486	0.3
109.10159	0.6
115.74035	0.3
119.08601	0.3
121.10181	0.3
131.08598	0.5
133.10062	0.5
134.05963	0.3
143.08522	0.5
143.95154	0.3
147.11636	0.4
159.11710	0.5
201.79071	0.3
209.10773	0.4
210.11661	0.4
221.10721	0.7
223.12363	0.4
224.13084	0.4
237.13820	0.4
238.67682	0.3
269.68839	0.3
291.19604	0.5
300.15060	0.6
314.16559	0.6
328.18243	0.6
340.18118	0.4
375.16055	0.5
377.17770	1.2
378.18573	0.9
386.18558	0.5
389.18546	1.1
390.18423	1.2
391.19254	3.7
392.19931	2.4
393.21494	1.1
400.20074	0.5
402.19052	0.5
403.19354	0.9
404.20325	1.8
405.20758	10.6
406.21545	3.3
407.22339	6.8
415.19360	0.6
417.20758	1.0
418.21881	0.7
419.22403	4.7
420.23080	3.8
421.17404	0.5
421.23956	7.7
422.17477	1.3
422.24808	0.9
428.18781	0.3
431.18204	0.7
433.24652	2.5
434.24704	2.5
435.18155	2.1
435.25519	0.5
436.19055	2.8
437.19675	0.9
445.20300	1.1
446.20856	0.4
447.21765	1.4
449.19815	2.3
449.27112	0.6
450.20343	2.0
451.21295	20.9
452.22006	3.6
460.22656	1.1
461.23157	1.3
463.21689	1.8
464.22079	1.7
465.22894	17.3
466.23663	3.5
473.19815	1.0
475.20166	0.7
475.25220	1.2
477.26727	1.2
478.23709	1.7
479.24393	3.1
487.21423	1.5
488.21991	1.0
489.22986	0.5
491.20404	1.9
492.20627	2.4
493.26041	14.8
494.26584	1.5
501.22647	0.7
502.23450	0.8
503.24454	8.6
504.24796	1.3
505.22433	0.6
506.23047	0.5
508.21005	0.5
509.22015	3.5
519.23926	0.7
521.17902	0.5
521.25525	7.9
522.25879	0.5
523.23401	11.0
526.26154	0.4
537.25134	6.9
538.25763	18.9
547.23431	3.5
548.24762	0.5
565.24451	9.2
566.25336	2.2
581.27509	5.9
607.25659	4.7
625.26563	100.0
626.26666	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	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
55.01866	0.7
55.05508	6.2
57.03429	1.0
57.07076	1.0
65.03906	0.6
67.05180	0.9
67.05510	10.8
69.07070	4.1
69.24447	3.9
69.24869	1.4
71.04996	0.7
79.05499	5.2
81.07058	9.6
83.04997	1.1
83.08625	2.5
91.05492	6.2
93.07043	6.1
95.04942	0.6
95.08605	5.6
97.06533	1.4
97.10180	3.0
105.07044	5.2
107.08600	4.8
109.10184	3.4
111.08109	0.8
117.07027	3.7
119.08601	5.5
121.10154	2.6
122.09719	0.6
123.11642	2.6
125.09639	1.8
128.06166	0.9
129.06984	3.7
131.08600	4.1
133.10164	4.3
135.11725	1.1
141.06979	1.7
142.07845	0.7
143.08582	5.5
145.10141	4.0
146.09659	1.2
147.08060	0.6
147.11714	1.9
149.09706	0.7
151.11244	0.7
155.08591	2.6
157.10161	3.3
159.09172	0.8
159.11697	2.7
161.13278	1.7
164.10709	5.0
167.08592	1.6
169.10097	2.8
171.11685	3.1
173.13229	1.3
173.90253	0.6
177.73761	0.6
181.10132	1.8
183.11774	4.4
185.13278	2.6
187.14803	0.8
193.10233	0.8
195.11813	1.1
197.10825	0.8
197.13271	3.5
199.14873	1.1
201.16423	0.6
207.11732	0.6
209.10800	0.6
209.13229	1.2
211.14818	2.0
213.16493	1.4
221.10858	1.0
221.13327	1.0
222.11679	1.1
223.12344	2.5
223.14734	1.2
224.13283	0.6
225.16286	0.9
227.12779	2.2
233.10855	0.6
235.12375	0.7
235.14706	0.7
237.13928	2.2
237.16289	1.0
238.14684	6.0
239.17961	0.8
241.19766	0.6
243.15953	1.0
247.12535	1.1
248.11928	0.8
249.12498	0.8
250.13518	1.0
251.15517	1.0
256.09888	0.8
257.19165	1.0
259.12448	0.8
259.20621	0.7
261.13104	0.6
262.13327	1.4
263.14346	1.0
264.14975	2.8
265.13333	0.9
272.11884	1.3
273.12598	1.0
274.13483	1.6
275.11929	1.0
275.20163	0.8
276.15149	0.8
286.13419	0.9
287.14404	0.9
288.15051	1.3
292.14474	1.4
306.15973	1.0
307.16779	1.2
314.13077	1.2
320.17767	0.6
342.12436	1.1
350.12830	0.7
350.16678	0.8
353.24985	0.7
355.09857	0.8
358.15225	0.8
360.14050	0.6
365.18427	0.9
365.28363	1.2
370.11874	1.1
374.15564	0.7
377.17795	0.8
381.31863	0.9
383.29535	0.7
386.11508	0.9
388.17825	1.0
389.18326	0.6
391.19351	1.6
392.20816	0.8
401.18307	0.7
402.19232	1.0
403.19281	1.9
405.21213	1.5
414.10876	7.1
415.11615	1.3
415.19296	0.8
417.20801	1.7
418.21576	0.6
421.20374	1.0
429.17065	1.6
430.14249	1.9
431.18561	2.3
435.17831	0.9
443.19141	1.0
444.19818	1.0
445.20401	2.5
446.13577	3.0
446.20950	2.2
449.19104	0.9
458.22104	0.9
459.17795	1.2
460.22501	2.4
461.23901	2.9
462.16052	2.7
463.21393	1.6
464.22260	1.0
472.18619	1.1
473.23843	11.7
474.20526	0.8
475.24817	1.8
476.22519	1.3
477.23856	0.7
479.24744	3.3
486.21335	1.1
487.21188	1.1
488.22540	2.7
489.22760	1.8
491.20395	1.0
493.15973	0.8
501.23120	6.8
502.21213	0.8
503.24802	5.5
504.18347	0.7
505.22839	0.9
506.21655	1.2
507.24033	16.4
513.35889	1.4
515.20972	0.7
515.39111	1.7
516.21527	1.7
518.19611	0.8
519.24139	1.7
529.22516	2.1
530.20660	1.0
531.24084	5.9
532.22034	1.7
533.22052	3.1
533.39935	1.5
534.20459	1.1
535.19757	1.5
547.23907	3.6
548.24591	3.4
549.25519	2.8
550.22003	2.2
551.23010	2.2
551.40936	1.1
557.21490	1.9
558.20422	1.3
559.19696	1.1
563.19177	1.2
564.19989	1.3
565.22156	2.1
575.22961	19.4
575.32043	1.1
576.21460	4.3
578.21637	1.1
579.22614	1.6
580.21246	0.9
582.24176	0.7
583.25659	1.0
589.24670	2.0
593.23920	24.1
597.23706	1.5
607.25592	92.6
607.43549	9.3
608.24164	9.0
625.26599	100.0
625.43774	25.3
626.27234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
55.73162	0.3
67.05502	1.6
69.07066	0.6
69.18437	0.5
69.18837	3.3
79.05502	1.1
80.24780	0.3
80.51253	0.3
81.07060	1.5
91.05480	1.0
93.07048	1.0
95.08608	1.1
98.21626	0.7
105.07059	0.4
106.06530	0.4
107.08586	0.7
109.10161	0.8
117.06957	0.3
119.08617	0.7
122.09740	0.4
131.08560	0.6
132.07938	0.4
143.08594	0.4
145.10190	0.9
146.09662	0.6
152.42050	0.3
159.11743	0.5
164.10725	2.4
164.54652	0.4
172.73978	0.4
184.07372	0.4
204.06546	0.5
204.32857	0.3
209.10791	0.5
223.12332	0.8
224.13249	0.4
237.13971	0.9
238.14648	1.2
247.12485	0.8
249.12538	0.6
251.15471	0.4
261.13956	0.5
264.14957	0.8
272.11783	0.5
274.13318	0.4
276.14993	0.4
277.12265	0.4
286.13351	0.4
288.15063	0.5
292.14499	0.9
300.11752	0.5
307.17020	0.6
314.12946	0.4
342.12576	0.7
370.11810	0.8
386.11041	0.5
390.19769	0.5
391.19345	1.0
393.16922	0.6
405.16693	0.7
406.17798	0.8
407.18332	0.8
414.10730	3.0
415.11542	0.8
418.18088	0.5
421.20416	1.9
422.21005	0.7
430.13950	0.9
431.18564	1.2
433.20319	1.6
434.16412	0.6
434.21671	0.9
435.17090	0.7
435.21930	1.5
436.23163	0.4
445.21423	0.4
446.13107	0.7
446.18628	0.5
447.17963	0.8
448.19186	1.2
449.19644	3.4
450.20435	1.1
451.21103	0.5
458.21548	0.4
461.19949	0.9
462.16705	1.3
462.22202	0.5
463.21622	2.8
464.22311	2.6
465.23041	0.8
473.24179	2.1
475.21097	0.5
476.22321	0.7
477.18759	2.7
478.19983	0.8
479.20673	0.7
487.21497	0.7
488.21732	0.8
490.20053	0.5
491.20386	2.1
492.22134	1.9
493.22522	1.2
501.22940	1.6
502.19952	0.4
503.24496	1.4
505.22299	0.7
506.22177	0.7
507.24234	4.7
509.21860	0.6
515.20319	0.4
519.19702	0.7
522.22113	0.6
523.23541	1.3
530.21472	0.4
531.23907	1.6
532.22192	0.5
533.21643	0.7
535.20026	0.6
537.21417	0.8
547.23590	2.4
548.24017	0.7
549.25317	0.8
550.21863	2.0
551.23022	1.5
557.21210	0.5
558.20166	0.5
563.18964	0.6
565.24719	5.5
566.24634	0.6
575.22925	4.2
576.21393	2.5
578.21454	0.5
579.22321	0.9
581.24200	1.6
582.24493	1.1
583.25793	1.0
589.24335	0.5
593.23871	10.9
594.25134	0.5
596.25873	0.6
597.24469	0.6
607.25555	21.4
607.41541	0.6
608.24005	4.0
610.24274	2.5
625.26532	100.0
625.44019	2.8
626.26990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70576	2.0
53.03951	4.4
55.01863	4.2
55.05515	19.7
57.03423	3.8
57.07071	7.4
59.05015	2.6
61.02927	4.1
67.05506	23.4
69.03439	11.5
69.07063	41.6
69.21748	22.0
71.04993	7.1
73.02905	2.8
75.44329	1.9
79.05493	16.0
81.03429	15.4
81.07057	100.0
83.04977	5.4
83.08635	13.1
85.02897	18.8
85.06533	8.5
86.09734	2.6
87.00822	9.8
91.05486	9.7
92.97857	2.3
93.07047	43.2
95.04966	7.7
95.08613	84.7
95.80090	2.4
97.02897	9.3
97.06529	12.3
97.10181	24.0
99.04441	5.3
99.08115	4.8
105.01865	4.4
105.07022	18.3
107.08600	49.9
109.02866	12.3
109.06559	2.8
109.10165	37.0
110.89281	2.1
111.08083	16.6
111.11715	9.4
119.05033	2.3
119.08589	13.3
121.06512	3.0
121.10171	26.7
123.11713	73.1
123.75332	2.3
124.12083	2.2
125.09615	3.0
127.03938	13.1
131.08548	4.3
133.10121	12.9
135.11720	15.7
137.13268	22.4
139.11189	21.7
141.12740	4.2
143.08569	2.3
145.05020	3.6
145.10120	6.9
147.04431	5.6
147.11707	11.1
149.09546	2.3
149.13263	50.0
151.11263	3.8
151.14832	3.3
153.12744	5.1
155.14322	9.1
157.12216	15.5
159.11656	2.8
161.13284	9.8
163.03874	4.0
163.11188	3.1
163.14835	9.0
165.12712	2.7
169.12247	6.8
171.11682	3.8
171.13916	2.8
173.13277	4.6
175.14775	4.2
177.16475	2.5
187.13322	19.0
189.16382	2.9
191.14357	2.2
203.12805	13.5
203.14468	2.9
203.17964	2.4
209.15515	3.4
213.12781	2.6
231.17329	2.5
237.18552	3.6
249.05759	2.4
249.18454	3.4
253.21867	2.5
265.25223	2.6
269.22549	4.2
275.23932	2.9
277.25262	5.3
279.48169	2.2
287.23596	2.6
289.21857	2.8
293.24716	20.6
301.21378	4.1
305.24774	77.8
311.25745	7.2
319.22656	4.4
323.25787	54.9
329.26953	4.1
337.23822	3.2
341.26779	8.3
359.21985	2.4
359.27969	11.0
361.86533	2.8
553.30109	4.7
625.25757	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
53.35120	0.8
55.01869	4.5
55.05513	21.7
57.03429	4.6
57.07076	2.4
59.05011	1.5
65.03934	2.7
67.05508	38.1
69.03428	2.0
69.07072	15.1
69.23626	2.0
69.24030	6.0
71.04987	2.8
71.08642	1.1
76.85527	0.7
79.05495	25.3
81.03410	1.3
81.07061	37.2
82.02978	0.9
83.04980	3.5
83.08627	12.5
85.06532	2.2
91.05484	21.4
93.07047	22.5
95.04973	3.7
95.08612	23.8
97.06523	6.3
97.10175	11.8
99.08107	1.9
105.07034	23.2
107.04945	2.1
107.08604	15.2
109.06527	3.0
109.10169	15.4
110.80741	0.8
111.08093	2.6
114.53262	0.8
115.05463	2.2
117.07015	13.2
119.08588	20.0
121.06534	1.4
121.10139	8.2
123.08041	1.9
123.11691	8.9
125.09615	6.9
128.06241	3.4
129.07011	14.6
130.07791	0.9
131.08571	17.0
133.10150	15.2
135.08043	1.5
135.11700	5.4
137.09653	1.5
139.11217	1.1
141.06969	5.8
142.07787	3.2
143.08560	16.4
144.09317	1.3
145.10124	17.5
147.08128	1.0
147.11693	10.1
149.09608	2.0
149.13264	3.3
151.11197	1.8
153.07057	1.8
154.07773	2.1
155.08566	10.4
156.09348	1.7
157.10133	15.7
159.11696	12.5
161.09671	1.2
161.13321	4.6
163.03955	0.9
163.11275	1.6
163.14888	1.0
164.10742	2.6
165.07022	1.9
165.12743	0.9
166.07892	1.0
167.08482	4.7
168.09360	2.0
169.10133	14.9
170.10925	1.3
171.10228	0.9
171.11665	15.1
172.12436	0.9
173.11902	1.4
173.13234	7.4
175.11176	1.2
175.14867	1.7
177.12718	0.8
177.16364	1.0
179.08524	1.6
180.09315	0.9
181.10149	8.7
182.10954	1.3
183.11684	13.9
184.12643	0.9
185.09563	1.2
185.13249	12.6
187.11209	0.9
187.13300	2.9
187.14850	3.9
189.11253	3.6
189.16493	0.9
193.10178	2.9
194.10913	1.1
195.11719	6.1
196.12466	1.0
197.13306	10.0
199.11244	0.8
199.14809	7.2
201.12784	1.0
201.16415	1.5
207.11707	3.2
209.13269	7.9
211.14827	8.1
213.16389	4.6
215.17938	1.9
220.12439	0.9
221.13287	3.0
223.12543	1.8
223.14854	5.5
225.16391	4.9
227.12711	4.5
227.18010	3.2
229.16223	1.0
229.19608	1.1
235.14880	2.5
237.13907	1.1
237.16391	2.7
238.14531	1.9
239.18028	3.5
241.19594	3.4
243.15962	3.6
247.14755	1.1
249.16409	1.6
251.18013	2.7
253.19588	1.8
255.21288	1.6
257.19031	2.3
259.20630	3.5
265.19412	2.0
267.21136	1.2
269.22925	1.4
271.20566	1.1
273.18500	1.5
275.20215	4.7
281.22778	1.5
307.20493	0.9
309.22571	0.8
311.23517	1.2
315.23303	1.1
323.23431	1.0
333.24307	2.7
349.24347	2.7
353.24597	1.2
363.26797	2.0
365.28329	9.4
370.11871	1.2
381.31760	2.9
383.29587	2.9
389.28122	1.1
391.30151	1.1
403.30151	1.3
405.20856	1.4
414.11032	2.9
419.18951	0.9
421.31006	2.1
431.18784	1.1
439.32452	4.0
446.13132	1.0
449.19333	1.0
450.19919	1.0
455.31680	0.8
460.22525	1.1
464.22061	1.6
473.23410	2.9
475.21307	1.2
495.23917	2.2
495.35361	1.0
497.36847	1.3
501.22818	2.3
503.24219	3.4
505.22406	1.4
507.24127	5.0
513.35706	10.5
515.38953	5.0
523.23633	1.5
527.37103	1.5
531.23767	1.8
533.40045	8.8
547.23248	1.7
548.24548	1.2
549.24762	2.0
550.22095	1.3
551.22974	3.5
551.41455	4.1
553.39343	1.4
555.26147	1.9
555.36560	1.3
557.21954	1.0
565.24316	1.3
569.41986	1.1
575.22876	6.8
576.21814	1.5
583.25476	14.5
589.42584	2.8
593.23700	9.5
597.26874	2.1
607.25684	28.3
607.43512	37.4
608.25262	6.0
625.27075	40.6
625.44574	100.0
626.26575	3.7
626.45062	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27993	2.0
53.03943	5.5
55.01658	2.0
55.01876	19.2
55.05514	23.3
57.03438	9.2
57.07077	4.8
57.18287	1.6
65.03941	3.9
67.05510	58.0
69.03425	4.3
69.07078	40.6
79.05501	41.5
81.03422	5.9
81.07065	56.2
83.04983	8.0
83.08633	10.1
85.06543	2.4
91.05489	49.4
93.07050	48.3
95.01272	2.5
95.04974	17.0
95.08061	3.4
95.08617	40.8
97.06542	18.6
97.10167	5.5
99.08118	2.6
103.05488	2.2
105.04549	1.9
105.07044	45.8
107.04976	13.1
107.08601	23.8
109.06528	7.1
109.10165	14.5
111.08097	3.0
115.05486	3.3
117.07018	19.2
119.08597	34.3
121.06522	4.3
121.10156	17.9
123.08094	4.6
123.11710	5.0
125.09566	4.3
128.06242	4.6
129.06999	12.1
131.08585	28.9
133.06485	1.9
133.10135	27.5
135.08081	5.0
135.11729	13.2
137.09607	2.2
139.11154	1.9
141.06973	4.1
142.07860	1.8
143.08556	18.6
145.10132	24.1
147.08037	2.9
147.11697	24.0
149.09628	6.1
149.13258	6.3
151.11165	4.8
155.08548	9.2
157.10139	17.0
159.08107	2.8
159.11714	20.4
161.09641	3.8
161.13268	12.1
163.11165	2.5
164.84464	1.8
167.08565	3.8
169.10141	14.8
171.11681	13.6
173.09747	1.9
173.13290	11.8
175.11203	4.3
175.14842	6.1
177.72749	2.0
179.14343	4.1
181.10106	5.3
183.11719	7.3
185.13344	9.4
185.14687	1.8
187.11214	4.3
187.14781	5.1
195.11664	5.6
197.13234	5.4
199.14792	8.5
201.16385	3.0
207.11714	2.7
209.13283	6.1
211.14825	5.2
213.12843	1.9
213.16386	3.2
215.17862	3.1
219.17468	4.9
221.13341	2.4
223.13162	2.7
225.16277	2.0
231.21046	2.4
233.44955	1.7
235.14607	2.7
237.16377	4.5
239.17892	3.3
241.19514	9.7
245.87836	1.9
257.19037	5.1
257.35623	2.0
259.20618	13.7
261.22086	2.6
273.18475	13.9
275.20059	26.0
277.21729	2.7
291.19534	23.6
293.21286	5.1
315.23108	4.0
325.21646	2.1
333.24289	12.9
335.25833	2.4
347.22095	3.0
349.23773	14.6
367.26300	2.0
406.21252	3.2
421.16516	3.9
421.23724	7.4
423.21643	13.9
435.32660	4.4
436.18799	8.2
437.23367	8.7
437.34119	7.1
438.23874	3.1
449.19141	3.0
451.21155	3.4
463.20581	3.2
465.23016	17.9
477.22379	3.8
478.22870	3.1
479.20688	4.4
487.23776	3.0
488.21130	2.1
492.21304	9.5
493.22021	12.9
501.35800	2.4
505.24820	6.1
509.36282	2.5
511.37729	5.3
513.35645	4.8
515.38947	4.1
517.25037	3.6
523.25220	2.7
527.37408	4.5
529.38647	2.9
533.24139	7.2
533.39655	5.8
551.25165	7.5
551.40735	5.3
561.23700	4.8
566.25354	20.0
593.26733	15.6
597.45068	2.3
607.34216	3.0
607.43677	46.1
625.27112	100.0
625.44312	82.5
626.26849	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.9
53.34610	1.0
53.39880	1.0
53.48642	1.0
55.01882	7.6
55.05514	32.8
57.03438	9.0
57.07080	1.8
58.68154	1.1
58.86809	1.1
59.64085	1.0
65.03952	3.5
67.05507	54.1
68.81963	1.0
69.03434	2.6
69.07068	24.9
71.04995	3.4
79.05495	40.4
81.03426	2.0
81.07058	57.8
83.04996	4.7
83.08620	18.1
85.06553	3.2
91.04910	1.8
91.05483	42.9
93.07048	45.8
95.04965	9.9
95.08607	41.6
97.06537	8.8
97.10170	6.6
98.21555	2.4
99.08119	2.7
105.04528	1.8
105.07034	44.0
106.77735	1.1
107.04986	3.8
107.08597	24.4
109.06516	7.1
109.10163	14.9
111.08100	4.9
115.05491	3.9
116.06251	1.7
117.07024	18.7
119.08588	30.4
121.06522	2.5
121.10151	19.1
121.10941	1.7
123.08098	4.4
123.11749	5.3
125.09651	2.4
128.06262	3.2
129.07018	16.3
130.07813	1.9
131.08574	27.7
133.10132	24.3
135.08075	6.1
135.11711	10.9
137.09645	2.8
137.13248	1.2
141.06964	8.4
142.07854	4.1
143.08568	19.5
144.09380	2.0
145.06500	1.7
145.10124	25.1
147.08101	3.4
147.11690	16.2
149.09668	4.8
149.13211	5.8
151.11229	2.8
153.07042	1.9
154.07784	1.2
155.08556	13.1
155.09526	1.1
156.09456	2.1
157.10133	16.6
159.08101	2.4
159.11700	19.0
161.09688	4.5
161.13225	8.2
163.11223	3.0
163.14874	1.8
165.06960	1.6
165.12744	1.4
166.07739	1.3
167.08575	6.3
168.09364	2.0
169.10141	13.4
171.08072	1.5
171.10229	2.0
171.11696	15.1
173.09660	1.9
173.13271	11.1
175.11197	2.6
175.14854	2.9
179.08623	2.3
181.10112	7.3
183.11703	14.9
185.09697	2.1
185.11804	2.5
185.13246	11.6
187.11104	1.1
187.14897	4.2
189.12881	1.6
191.14268	1.4
192.09444	1.1
193.10208	3.2
194.11043	1.2
195.11722	8.5
197.13213	8.5
199.11234	2.2
199.14859	4.5
201.12883	1.7
201.16547	2.8
207.11794	3.1
209.13309	6.2
211.11206	1.1
211.14795	5.2
213.12706	1.2
213.16452	3.1
217.15948	2.6
217.19455	1.2
221.13297	2.3
223.14922	4.3
225.16422	4.7
227.12770	1.4
227.17998	2.4
229.58388	1.4
233.13332	2.1
235.14946	2.4
237.16570	3.5
239.18005	2.9
241.19632	3.8
247.14857	1.5
249.16359	1.8
251.18147	2.0
253.19586	1.1
255.17662	1.9
257.19171	3.6
259.17709	1.1
259.20718	4.3
261.22067	1.6
263.20392	1.9
265.19601	2.2
271.20670	3.0
273.18564	5.9
275.20206	7.9
277.21976	1.7
279.21249	1.2
283.20801	2.3
285.22141	1.2
287.20422	1.2
289.21823	2.4
291.19733	3.8
301.21893	1.3
311.23648	1.4
313.21484	1.1
315.23282	2.9
323.23941	1.5
333.24258	3.9
335.26089	3.3
337.25275	2.3
341.24811	1.7
349.24100	4.1
355.26660	1.6
363.26312	1.3
381.27820	1.5
421.31458	1.2
423.32785	2.6
429.30643	1.5
435.32547	1.5
439.32483	1.8
447.31146	3.5
453.35684	2.1
455.31702	1.4
485.32214	1.4
497.36880	4.0
499.34665	1.4
501.35788	1.4
513.35815	9.5
515.38416	6.2
527.37561	4.9
533.39789	9.0
537.35510	1.7
541.34857	1.9
551.40881	8.2
553.39294	2.3
555.36865	1.7
567.40521	1.8
569.41626	1.2
581.42450	1.7
589.42706	2.2
597.45209	2.6
607.43542	48.8
625.44727	100.0
626.45001	2.6
631.81207	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32967	2.5
53.03947	3.6
55.01868	6.8
55.05512	24.1
55.62259	2.2
57.03434	6.1
59.67544	2.1
65.03958	3.1
67.05508	48.3
69.03432	4.1
69.07066	20.7
71.04996	4.1
71.53242	2.7
79.05499	28.2
81.03424	3.6
81.07061	49.9
83.04990	3.2
83.08607	14.9
90.97318	2.0
91.05486	25.5
91.77340	2.1
93.07046	38.4
95.04959	4.4
95.08611	31.6
96.50168	2.1
97.06532	8.1
97.10172	10.9
105.07037	27.8
107.05013	5.2
107.08582	26.9
109.06537	3.9
109.10175	22.6
111.08081	2.8
117.07030	18.8
119.08583	20.8
121.10162	9.8
122.19502	2.0
123.08077	2.8
123.11720	10.2
123.97458	2.2
125.09657	9.3
128.06219	5.2
129.07016	15.6
131.08566	18.6
133.06496	3.9
133.10152	18.8
135.08098	5.1
135.11713	7.2
141.07016	5.0
142.07805	3.4
143.08575	18.2
144.76295	2.2
145.10156	22.3
147.08040	2.6
147.11690	11.1
149.09673	5.9
149.13287	5.8
155.08562	14.1
157.10124	19.1
159.11726	12.7
161.09641	2.4
161.13289	5.6
163.03905	4.4
163.11249	3.9
167.08682	5.3
169.10104	15.0
171.11714	16.2
173.13321	9.7
175.11208	3.6
175.14877	4.4
179.08481	2.9
181.10208	8.8
183.11664	14.1
185.13287	12.1
187.13385	2.8
187.14877	5.2
195.11740	6.0
197.13309	11.8
199.14783	11.0
201.16302	2.7
203.17957	2.8
207.11647	3.2
209.13297	8.7
211.14912	6.7
213.16463	5.2
219.11751	2.4
221.13390	3.8
223.14867	6.3
225.16336	5.2
227.12680	4.9
227.18045	3.6
229.14340	2.2
235.14857	4.9
237.16399	3.3
239.17966	6.0
241.19519	4.3
257.19122	3.7
259.20605	3.9
267.20697	3.0
275.20200	6.4
297.07227	2.2
309.46964	2.6
315.23303	3.3
333.24432	3.6
349.23901	2.4
365.28503	4.1
381.31540	3.3
383.29510	2.3
411.90936	2.7
439.32233	4.5
463.30728	2.8
513.35681	12.0
515.38861	7.9
527.37354	5.7
533.40118	8.1
551.40875	8.1
583.25854	2.7
589.42572	4.5
607.34174	3.4
607.43604	49.4
625.34369	3.7
625.44623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.8
55.01865	3.7
55.05512	22.8
57.03448	5.6
57.03685	1.0
57.07082	1.8
59.04987	2.0
62.58457	1.0
65.03919	2.7
67.05508	37.5
67.20743	1.2
69.03431	2.0
69.07076	13.7
71.04998	3.4
71.53144	1.3
79.05495	26.0
81.03445	1.5
81.07059	36.4
83.04990	2.5
83.08627	12.5
85.06548	2.2
90.82426	1.1
91.05485	22.2
91.06028	1.7
93.07052	24.5
95.04974	4.7
95.08614	21.7
97.06508	5.7
97.10173	11.2
99.08093	1.3
105.07036	21.5
105.07705	1.9
107.05013	2.5
107.08586	16.5
109.06534	4.4
109.10159	13.1
111.08075	3.8
115.05437	2.1
117.07022	9.5
119.08586	18.4
121.06476	1.4
121.10151	10.0
123.08084	1.7
123.11723	7.0
125.09626	9.3
128.06232	2.5
129.07021	12.8
130.07793	2.1
131.08568	16.2
133.10138	15.8
135.08072	2.0
135.11700	4.7
137.09608	2.4
141.07002	5.9
141.12605	1.0
142.07820	3.8
143.08577	15.6
145.10120	14.4
147.08098	1.9
147.11649	7.0
149.09644	2.5
149.13249	2.1
151.11159	1.0
152.59192	1.1
154.07713	1.5
155.08546	10.4
156.09322	2.1
157.10139	13.5
159.08012	1.1
159.11711	10.9
161.09644	1.4
161.13292	4.5
163.11220	2.5
163.14859	1.6
167.08633	3.7
168.09354	2.6
169.10149	12.4
171.11687	13.2
173.13245	7.2
175.14847	2.7
179.08568	1.8
181.10123	5.3
182.10927	2.1
183.11714	11.7
184.12483	1.3
185.13255	9.6
187.13327	2.6
187.14842	3.6
189.11259	4.2
189.16508	1.6
191.14424	0.9
193.10197	2.3
195.11684	7.0
197.13298	11.7
199.11310	1.0
199.14842	6.5
201.16403	2.7
203.08447	1.1
207.11719	2.8
209.13287	5.1
211.14893	7.4
213.16418	3.2
215.17973	1.3
219.17412	1.6
221.13322	1.9
223.14874	3.3
225.16402	3.6
227.12753	6.4
227.17972	3.1
229.19554	1.5
235.14886	2.5
237.16447	3.1
239.17993	4.1
241.19522	2.3
243.15945	5.4
247.14984	1.4
251.18051	2.4
253.19528	1.1
255.21112	1.3
257.18988	1.4
259.20581	2.1
265.19708	1.4
269.22766	1.3
273.18631	4.9
275.20117	4.1
283.20654	1.4
285.22226	1.4
291.19598	2.7
295.20639	1.9
309.22504	1.2
311.23776	1.3
315.23419	1.9
323.23755	1.5
333.24432	1.3
335.25833	1.3
365.24603	1.7
365.28424	8.4
367.26309	1.4
381.31665	4.1
383.29626	2.8
395.29688	1.1
421.31192	1.7
439.32126	3.5
513.35992	5.6
515.38782	5.8
525.35583	1.1
527.37469	1.4
533.40094	7.1
551.40973	3.2
553.38733	1.6
589.42767	2.2
607.43518	28.9
625.26807	5.8
625.44641	100.0
626.45410	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	625.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73249	0.8
53.03941	2.7
53.98118	0.8
55.01875	7.5
55.05514	23.5
55.06645	1.0
57.03435	5.7
57.07075	1.2
59.05005	1.0
59.45039	0.9
59.79287	1.1
65.03941	2.8
67.05506	48.1
69.03450	2.3
69.04003	0.8
69.07072	24.1
71.04993	3.5
77.03933	1.1
79.05498	31.9
81.03441	2.2
81.07060	45.6
83.04977	3.8
83.08625	13.2
85.06552	2.8
91.05489	34.2
93.07052	31.9
93.07642	1.6
95.04446	0.8
95.04951	5.5
95.08610	30.3
97.06532	8.5
97.10162	7.9
99.08111	1.8
103.05461	1.3
105.04510	1.2
105.07037	30.4
107.04977	3.7
107.08598	21.9
109.06501	5.5
109.10159	17.9
111.08106	3.7
115.05461	1.5
116.06210	1.2
117.07024	16.0
117.07842	1.0
119.04827	0.8
119.08591	26.6
121.06513	2.5
121.10139	13.3
123.08102	3.0
123.11731	6.6
125.09673	6.3
128.06227	3.9
129.07010	13.0
130.07848	1.1
131.08575	23.1
133.06528	1.6
133.10138	17.1
133.11102	1.3
135.08089	2.7
135.11703	7.7
137.09673	2.0
139.11176	1.6
141.06992	5.6
142.07822	2.9
143.08577	17.1
144.09378	1.3
145.06462	1.1
145.10127	20.2
146.17326	0.9
147.08153	1.4
147.11694	13.3
149.09636	3.3
149.13297	3.8
151.11218	3.1
154.07797	2.1
155.08560	10.4
156.09370	2.5
157.10132	17.2
158.10789	0.9
159.08049	1.5
159.11711	15.2
161.09561	1.6
161.13263	6.4
163.11250	3.9
163.14909	1.6
165.06995	1.0
165.12828	1.0
166.07790	1.2
167.08557	4.4
168.09415	1.8
169.10132	14.1
170.10915	1.1
171.08057	1.2
171.11697	15.3
172.12451	1.1
173.09642	1.9
173.11920	2.0
173.13271	8.5
175.14920	3.7
177.12773	1.6
179.08577	2.1
181.10109	7.5
182.10924	1.7
183.11691	13.2
185.13295	10.6
187.13329	1.4
187.14894	3.8
189.11223	1.7
189.16504	1.6
193.10312	2.0
195.11703	8.1
197.13292	9.1
199.11163	1.4
199.14821	9.3
201.12636	1.0
201.16469	1.8
205.10072	1.5
207.11769	2.9
209.13274	7.7
211.14848	7.2
213.16447	3.0
215.18042	1.6
219.11790	1.1
220.12526	1.2
221.13315	3.1
223.14819	4.5
225.12845	0.9
225.16391	3.5
227.12767	2.5
227.18007	2.9
229.19460	1.3
229.65730	1.0
232.41165	1.0
235.14915	1.8
237.16347	2.5
239.18048	3.2
241.19659	4.3
243.15945	1.7
243.21034	1.2
247.14766	1.3
251.17979	1.3
253.19728	1.5
255.21268	1.2
257.19086	3.5
259.20667	5.5
263.17908	1.2
265.19614	1.9
267.21082	1.3
273.18549	2.6
275.20166	7.6
287.20154	1.4
295.20697	1.3
297.22293	2.0
309.22177	1.6
313.21753	1.9
315.23245	3.3
323.23868	1.3
329.25009	1.1
333.24338	5.2
345.15988	1.1
349.23917	4.7
353.24695	2.1
363.26923	1.6
365.28589	3.5
369.28210	1.1
371.25598	1.5
379.30109	1.6
381.27679	1.4
381.31909	1.4
383.29633	1.5
389.26953	1.7
397.31149	1.1
403.30096	1.1
421.31104	3.1
439.32193	2.5
445.29532	7.2
463.30911	6.3
495.34616	1.4
497.36945	2.1
509.22290	1.2
513.35889	11.3
515.38770	5.6
517.35742	1.2
527.37323	3.1
533.39929	9.7
551.40594	6.7
553.39392	2.1
569.41400	1.2
583.25372	2.9
589.42664	2.7
597.45349	1.4
607.43585	46.5
608.43579	1.5
625.26306	5.7
625.44672	100.0
626.44958	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	625.5348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.5
55.01857	3.0
55.05507	12.1
57.07071	5.6
64.04425	3.2
65.03962	4.0
67.05511	36.3
69.07073	27.1
69.64432	3.4
71.08625	3.4
71.12920	5.9
75.57413	2.7
79.05502	32.5
81.07069	90.1
83.04997	3.9
83.08623	13.6
85.06561	4.0
90.78232	3.3
91.05496	31.2
93.07052	51.2
95.04971	4.9
95.08064	5.3
95.08623	75.2
97.06552	3.8
97.10175	7.8
105.07040	48.1
107.08599	58.1
109.06602	3.7
109.10159	54.7
111.11716	3.8
116.16531	2.9
117.07037	8.7
119.08599	50.3
120.05268	3.3
121.10168	45.5
123.11713	22.5
125.09599	6.2
129.07039	5.0
131.08572	19.2
133.10158	42.3
135.11725	32.9
137.13326	3.7
142.07753	4.3
143.08569	12.2
145.10144	33.8
147.11711	34.8
149.13274	26.7
155.08636	4.0
156.09375	3.9
157.10164	20.6
159.11703	36.8
161.13231	23.3
163.14871	16.2
169.10135	7.1
171.11702	17.5
173.13284	21.2
175.14857	17.6
177.16362	8.8
183.11711	7.1
185.13280	11.6
187.14847	15.4
189.16393	16.3
197.13318	6.9
199.14867	11.4
201.16425	18.2
203.17984	6.3
205.15952	3.8
209.13321	4.8
211.14813	6.1
213.16383	11.8
215.17982	14.6
223.14839	5.0
225.16379	4.7
227.17978	10.3
229.19514	5.5
237.16351	4.7
241.19662	3.7
243.21048	4.4
251.18300	3.2
253.19395	7.5
255.21132	7.0
257.22736	3.9
267.21271	7.4
269.22699	3.4
283.24326	4.8
291.19537	4.2
384.74835	3.1
509.19489	3.8
515.42615	3.7
539.45868	4.0
607.52271	14.8
625.27832	8.6
625.43976	13.0
625.53577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.5
55.05517	20.2
57.07067	7.0
62.95409	2.0
65.03941	4.7
67.05506	49.7
69.07073	40.8
69.51641	14.2
71.08653	3.8
71.42339	2.0
79.05499	39.2
81.07058	100.0
83.04994	2.7
83.08617	9.6
91.05487	36.6
93.07049	59.0
95.04968	11.6
95.08614	83.0
97.06499	3.9
97.10181	10.1
105.07040	58.2
107.04960	2.9
107.08602	67.8
107.09315	4.4
109.06528	5.3
109.10162	48.0
111.08122	3.8
111.11734	3.6
117.07057	11.9
119.08594	57.3
121.10147	40.3
122.28425	2.1
123.08098	4.0
123.11710	21.0
125.09637	4.1
128.06218	3.9
129.06993	4.8
131.08591	22.7
133.10132	35.0
135.11685	34.2
137.09633	2.8
137.13284	8.2
142.07782	4.1
143.08604	10.3
144.09355	3.2
145.10121	29.2
147.11720	33.1
148.57619	2.3
149.09645	5.0
149.13258	27.1
151.11255	3.1
151.14828	2.2
155.08577	4.8
156.09348	2.7
157.10114	16.8
157.39688	2.5
159.11714	34.2
161.13268	18.2
163.14818	18.7
169.10158	6.3
171.11682	13.2
173.13252	25.0
175.14841	14.4
177.16403	7.1
183.11697	11.6
185.13248	12.4
187.14854	12.6
189.16431	9.9
191.17897	2.8
197.13316	5.2
199.14877	13.2
201.16423	15.7
203.18019	8.6
205.15839	2.8
209.13318	6.8
211.14864	7.4
213.16327	12.7
215.18022	8.8
217.19568	5.6
221.13234	2.9
225.16286	4.5
227.18036	6.3
229.19606	7.7
237.16563	2.8
239.17921	2.9
241.19481	6.7
243.21155	5.6
251.17961	4.5
253.19740	3.5
255.21193	5.2
257.22839	2.8
267.21237	2.7
269.22543	3.6
273.18585	5.2
281.22916	2.9
291.19540	12.7
295.24103	4.4
307.24081	2.6
309.25909	2.9
323.27441	4.7
325.28973	4.4
337.29031	3.7
347.22314	5.6
607.43781	2.8
607.52386	17.5
622.25909	2.6
625.44482	15.0
625.53485	88.7
626.54004	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	627.2818
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
67.05482	1.3
75.21223	0.8
81.07081	1.4
91.05460	1.1
95.08646	1.0
101.61276	0.8
117.72931	0.7
159.09177	0.9
161.93694	0.8
174.45851	0.8
176.56946	0.8
185.10785	1.8
188.03394	1.1
189.45917	0.7
196.09865	1.0
197.10803	1.2
209.10715	1.2
210.11455	1.4
211.12334	1.5
223.12224	1.2
224.13144	2.5
225.13846	2.9
227.12033	1.8
237.13821	1.7
238.14668	1.9
239.11740	1.0
239.15477	3.5
274.14038	1.0
287.09924	0.7
288.14984	1.3
290.12939	1.1
290.16650	2.4
292.18121	3.0
301.16766	0.8
304.14621	0.9
304.18097	2.0
316.18527	0.9
317.15915	0.8
318.16129	1.3
319.16736	1.3
332.17603	1.3
333.18521	0.9
334.19226	1.8
344.17624	1.3
345.18591	0.9
346.19275	1.2
369.14740	1.0
378.18262	1.6
379.19266	0.8
384.16879	1.4
389.21109	2.3
391.19357	1.8
392.19647	3.4
393.20508	4.3
402.22095	1.1
403.19183	1.0
404.19943	0.8
405.20569	2.6
406.21378	2.8
407.22415	6.0
408.22992	8.4
412.16382	1.5
416.89630	0.9
417.21021	1.3
418.21393	1.3
420.23111	5.3
421.23895	2.0
426.17841	0.9
431.22641	1.7
433.24261	1.6
435.21460	1.2
444.19205	2.2
448.41260	0.8
449.23914	1.2
452.22562	1.6
459.21881	1.1
461.23987	1.2
462.20444	2.8
463.21060	9.7
464.25977	1.6
474.24356	1.0
475.21039	3.1
476.20386	2.2
477.22653	3.4
480.25076	2.9
481.26437	1.9
487.25290	1.7
490.23932	1.0
491.24237	3.4
492.24792	1.3
503.21887	0.9
504.21524	1.2
505.25650	1.5
506.18958	1.1
507.23749	1.6
509.25558	1.9
515.24268	1.1
517.21948	1.4
518.22858	1.1
520.20435	1.1
521.21759	1.0
531.23901	3.8
533.25415	9.6
535.23413	16.1
536.24353	3.9
547.19617	2.2
549.25116	7.0
550.25586	1.5
551.26050	3.3
559.23676	1.0
562.22260	1.8
565.28699	1.8
577.24445	43.4
581.27484	1.4
591.26019	4.5
595.25537	12.9
609.27112	100.0
610.27429	1.4
613.47021	0.9
627.28247	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	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01839	1.2
55.03485	0.8
55.03758	0.7
55.05502	3.7
57.03425	1.0
60.52228	0.8
67.05508	10.2
69.07063	3.3
71.08616	0.8
71.43985	1.5
79.05497	6.6
79.99731	0.8
81.03442	1.0
81.07059	12.3
83.04970	1.0
83.08618	1.5
91.05489	6.5
93.07055	7.1
95.04983	1.6
95.08611	7.5
97.06552	1.6
97.10184	0.8
99.08120	0.8
105.07016	6.2
107.05019	1.1
107.08610	5.2
109.06573	1.5
109.10137	4.0
117.07027	1.7
119.08573	5.7
121.06506	1.0
121.10162	3.3
123.11742	1.2
131.08591	3.4
133.10159	3.9
135.11710	3.1
143.08597	0.9
145.10161	3.4
147.11668	1.2
149.09657	1.1
149.13242	1.8
151.11148	0.8
157.10117	1.1
159.11725	1.9
161.13312	1.5
173.13297	1.3
179.14362	1.6
185.13219	0.9
187.10912	0.8
189.10226	1.2
211.12335	1.2
213.10362	1.1
219.17403	4.0
221.10788	1.4
235.12361	1.5
237.13782	1.7
244.84361	0.8
249.13954	1.7
275.20071	6.0
276.15002	1.2
277.21829	1.9
278.16504	0.9
290.12704	1.1
296.83063	1.1
318.16107	1.3
325.16254	1.0
335.25815	4.6
339.16312	0.9
349.23862	2.5
352.17764	1.7
353.17627	5.0
354.19263	1.7
364.17557	1.2
365.17752	2.1
366.19391	2.8
367.19196	4.0
368.20752	1.0
369.17218	1.3
377.17987	1.2
379.19159	3.3
380.16629	1.1
380.21140	1.1
381.16745	1.7
381.21164	4.1
382.17899	1.3
383.22464	3.6
393.17029	1.2
393.21497	1.7
394.18103	1.2
395.18604	4.3
396.19400	2.6
397.20291	3.4
407.18781	2.6
408.19766	1.2
409.20493	5.1
410.21436	1.8
411.22159	6.7
412.22614	2.6
421.20410	1.9
422.21005	2.4
423.22028	3.8
424.22375	3.6
425.19635	9.8
433.48120	0.9
437.23441	3.6
438.20667	3.1
439.21164	7.8
440.22202	5.3
451.20761	0.9
453.22470	4.4
454.24313	1.6
455.25198	1.4
466.23721	1.4
467.24463	1.9
469.21255	1.4
469.26279	3.5
470.23438	3.2
481.22015	1.2
483.24109	3.1
494.22894	1.4
495.23807	1.7
496.24768	2.0
497.26605	13.8
498.26471	4.7
509.25446	3.2
511.23480	2.7
525.24878	2.3
526.26190	1.8
529.39319	1.3
541.28119	11.3
551.27087	1.4
556.23853	1.3
568.26288	2.5
583.29224	18.2
584.26276	12.4
585.27094	100.0
586.27661	1.1
609.45093	6.6
627.28162	87.7
627.43982	8.7
627.75519	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2814
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.05524	0.6
58.32732	0.5
64.75728	0.5
67.05505	1.8
67.58281	0.5
71.53756	0.6
78.27659	0.5
79.05502	1.1
81.07066	1.1
84.64421	0.5
91.05495	1.4
93.07050	1.0
95.08635	0.8
95.50043	0.4
105.07083	1.2
107.08610	0.7
108.08081	0.5
109.10184	0.6
117.07058	0.8
122.06054	0.7
129.06987	0.5
130.06563	0.6
131.07310	0.9
132.08061	0.6
133.10088	0.6
136.07626	1.2
152.32805	0.5
160.11359	0.5
172.07680	0.5
174.09129	3.4
187.08696	0.9
187.12317	2.6
188.10767	1.0
197.07121	0.6
197.10883	0.6
198.09297	0.9
211.08632	1.2
215.11879	1.9
223.08797	0.8
223.12263	0.5
224.09515	0.6
225.10152	2.8
227.08282	0.6
227.11748	2.4
235.08693	0.7
237.10301	0.9
238.07460	0.6
238.11021	0.8
239.11900	1.7
241.09795	0.9
241.13498	1.8
243.11305	17.3
249.10347	1.2
250.08521	0.6
251.11855	1.3
253.09859	1.6
253.13475	1.5
265.09772	0.8
267.11331	4.8
269.13013	2.2
271.11008	0.6
277.09903	1.2
285.12524	2.1
291.11331	0.6
293.13248	0.7
295.10776	2.5
297.12805	0.5
299.14288	1.0
301.12326	0.9
301.15662	2.1
305.12131	0.8
306.12903	0.6
309.12354	1.4
313.12515	0.5
314.13068	1.4
315.10245	0.7
315.13913	0.7
316.10876	1.2
319.10837	1.4
319.14331	0.7
325.15546	5.1
326.12939	0.7
327.13348	4.8
328.10925	1.4
328.14343	1.1
329.11896	1.3
329.15610	0.7
330.12546	2.2
330.16080	0.7
331.13428	0.9
334.15900	0.7
340.14606	0.6
341.11823	0.5
342.12473	2.0
342.16214	0.9
343.03064	0.5
343.13364	1.9
344.14023	2.6
345.14734	0.7
346.15640	1.6
348.09970	0.5
348.13489	2.6
351.13577	1.4
354.12564	1.2
354.16443	0.7
356.10355	0.5
356.13879	2.7
357.14920	1.3
358.12018	0.5
358.15359	2.5
359.16422	0.8
360.17136	0.8
362.15305	0.6
366.18027	0.7
370.11685	0.7
370.15808	2.0
371.12436	0.5
372.17068	2.9
374.15005	0.7
377.13382	0.5
383.16333	0.7
384.17435	0.8
385.17932	0.8
386.14789	1.2
386.18933	1.4
390.14374	0.8
390.18872	0.6
398.14975	1.1
400.16824	2.1
405.17303	0.8
407.18878	0.7
412.16913	0.6
412.77985	0.5
414.18176	0.7
417.17105	0.7
418.17618	0.7
419.18643	0.8
420.16873	0.9
421.16702	1.0
422.17737	0.6
430.18396	0.7
431.18549	1.0
432.19534	2.8
435.14432	1.2
436.14993	0.8
437.19962	2.1
444.19720	1.2
445.20248	0.6
447.21829	1.8
448.20093	0.8
449.20166	1.8
450.16464	1.0
451.16949	2.5
460.18851	1.0
461.23630	1.5
462.24890	1.2
463.22293	2.6
464.18417	0.6
465.18741	8.5
466.19687	0.8
467.21164	1.0
468.21222	1.0
476.21487	0.5
478.19885	1.4
479.20395	4.1
480.21631	4.0
481.22375	3.1
490.19983	0.8
491.21002	0.7
492.21454	2.2
493.22430	2.0
494.23462	0.7
504.21490	2.1
505.22311	0.7
507.24725	3.0
508.20621	0.7
517.22821	1.6
521.22522	0.5
521.25513	0.5
523.23566	1.4
525.22015	0.8
535.23547	4.6
540.23608	0.9
541.24396	2.0
549.24951	8.2
552.24182	0.6
553.24133	0.9
554.23767	0.6
563.22894	1.1
567.26050	40.9
568.26404	0.7
577.24536	1.1
595.25519	34.2
609.27222	1.3
627.28149	100.0
628.28650	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	627.2816
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
54.19099	0.2
55.05511	0.3
66.08360	0.2
67.05507	0.6
69.27171	0.2
69.83854	1.2
78.21915	0.3
79.05482	0.5
81.03415	0.4
81.07045	0.4
91.44556	0.2
93.07034	0.4
98.20889	0.4
98.60156	0.2
105.07030	0.5
107.08582	0.3
109.10178	0.3
135.11884	0.3
143.08629	0.3
166.75739	0.3
202.28438	0.3
212.75751	0.3
279.35654	0.3
337.06113	0.3
342.15610	0.3
377.17944	0.6
379.19391	0.7
391.19278	0.9
392.19760	0.3
393.20908	1.1
405.16919	2.1
405.21814	0.3
406.17453	1.3
406.22455	0.4
407.18384	0.7
407.22733	3.1
408.23260	0.7
409.24078	0.3
419.18478	2.4
420.19202	1.4
421.20447	3.8
422.21127	0.5
423.22150	1.5
433.20459	3.6
434.21487	2.9
435.12680	0.3
435.21979	5.4
436.22647	1.0
447.22012	1.2
448.18652	0.5
449.19528	5.6
450.20313	0.4
453.23056	0.5
462.20468	0.6
463.21039	2.0
464.22107	1.2
465.18604	0.5
465.23962	0.5
467.24557	0.6
476.22363	0.4
477.22754	0.5
479.20337	2.1
481.21909	1.9
492.21262	0.3
493.22214	1.6
494.22934	2.4
495.23828	2.4
507.12811	0.4
507.24130	9.0
508.24231	0.6
509.25662	0.9
510.26523	0.4
521.25043	0.3
525.24915	0.4
526.25751	0.6
535.23279	0.6
536.24677	0.4
537.25146	0.4
539.22510	1.7
549.25140	1.5
553.24670	0.5
566.25159	0.5
567.26160	18.3
568.26569	0.5
581.23297	0.4
595.25854	0.3
609.27264	0.8
627.28137	100.0
628.28394	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	627.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90571	0.5
53.03941	0.7
55.01870	0.7
55.05511	2.7
57.03434	0.7
61.59688	0.4
67.05508	3.3
69.03424	1.6
69.07075	2.8
69.35004	3.6
71.04979	0.7
71.08623	1.3
71.21309	0.5
79.05501	2.4
81.03414	2.0
81.07053	6.1
83.04961	1.1
83.08612	1.8
84.25035	0.5
85.02924	3.9
85.06560	0.5
91.05485	1.8
93.07050	5.0
95.04984	0.7
95.08610	5.6
97.02897	2.3
97.06516	1.1
97.10156	0.7
98.20804	0.9
98.98474	0.9
99.04464	3.6
99.08089	1.0
103.03954	4.0
105.07033	2.2
107.04955	0.5
107.08602	7.1
109.02177	0.4
109.02875	2.5
109.06471	0.7
109.10152	5.3
111.08103	0.7
117.07010	1.0
119.08583	3.1
121.06484	1.3
121.10149	3.3
123.08041	1.3
123.11730	4.3
125.09645	0.7
127.03918	5.8
131.08556	1.0
133.10133	2.2
135.08046	1.5
135.11707	1.4
137.09634	1.2
141.07034	0.5
141.09079	0.6
143.08562	1.1
145.04988	2.9
145.10149	2.5
147.08051	1.0
147.11707	2.0
149.13293	1.3
151.11168	1.1
155.08569	1.1
157.10135	1.5
159.07997	0.8
159.11665	2.6
160.11276	1.2
161.09584	1.4
161.11627	0.5
161.13263	2.1
163.06038	1.0
163.14799	1.2
165.12762	0.9
169.10101	0.7
171.11656	2.5
173.09651	1.5
173.13277	1.8
175.11166	0.7
175.14830	2.9
177.12794	3.4
179.14359	1.1
183.11667	0.8
185.13269	2.3
187.11090	0.6
187.14842	1.2
189.12827	1.8
189.16350	0.6
191.14325	0.8
197.13268	1.5
199.14932	1.1
201.16370	0.8
203.14357	5.1
211.14842	1.2
213.16408	1.0
215.14395	3.1
215.18024	0.6
225.16405	0.9
227.17981	3.3
229.15918	1.6
233.15349	0.8
239.18256	0.5
241.19608	0.6
243.17549	1.4
243.21059	1.1
245.19034	0.8
255.21100	1.2
257.22794	1.1
259.20547	1.8
267.21140	2.5
273.22128	6.8
285.22095	8.8
293.21194	4.5
303.23184	21.0
321.24246	100.0
322.24670	0.9
367.24826	4.8
457.56305	0.5
541.21143	1.1
591.31281	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.4
55.01867	11.0
55.05516	31.2
57.03444	10.4
57.07077	5.3
62.81619	1.3
65.03939	4.9
67.05510	97.5
68.36368	1.6
69.03451	3.7
69.07069	28.9
69.07420	2.5
69.29938	14.1
71.04996	5.2
71.08652	2.2
76.26454	1.6
79.05498	75.8
79.96209	1.6
81.03425	5.0
81.07061	100.0
83.04986	6.6
83.08622	14.6
85.06541	4.7
89.06020	1.7
91.04910	2.3
91.05486	58.7
93.07049	69.0
95.04984	12.8
95.08004	3.0
95.08613	59.0
97.06547	15.8
97.10196	10.0
99.08107	3.6
105.04530	1.5
105.07041	53.8
107.04982	9.9
107.08605	45.9
107.09312	3.1
109.06549	9.4
109.10171	31.9
109.10933	1.6
110.10423	1.3
111.08099	5.2
113.09676	1.7
115.05487	2.9
116.06228	1.6
117.07030	17.7
119.08582	37.7
121.06521	4.1
121.10155	27.8
123.08107	6.3
123.11706	11.4
125.09628	7.8
127.41469	1.5
129.07022	8.2
130.07742	1.7
131.08580	27.1
133.06604	1.4
133.10146	33.5
133.11101	2.4
135.08121	4.5
135.11691	17.2
137.09657	5.1
137.13271	3.2
139.11215	2.5
141.07101	2.9
143.08577	10.8
144.09274	2.2
145.10126	24.8
147.08061	1.7
147.11703	20.3
149.09618	12.4
149.13269	8.6
151.11203	2.8
153.12772	1.7
155.08620	5.0
157.10153	7.7
159.11687	15.0
161.13280	9.7
163.11214	6.8
163.14836	3.3
169.10175	5.7
171.11702	8.1
173.09668	1.9
173.13263	11.9
173.61868	1.8
175.11223	2.2
175.14931	5.1
177.12756	3.5
177.16498	2.1
179.14326	2.9
181.10144	2.8
183.11649	7.8
185.13194	7.9
187.14871	4.6
189.11276	3.5
189.16524	2.5
193.12230	1.9
195.11824	2.1
195.13632	2.0
197.13295	5.3
199.14885	4.2
199.92552	1.8
201.16402	3.6
203.14450	1.9
205.15912	3.1
209.13472	1.9
211.14799	3.6
213.16360	3.9
219.17450	3.5
225.16472	2.5
227.12868	5.4
229.19646	3.3
237.16447	2.1
239.17947	4.1
241.19577	1.8
243.21159	1.8
247.20638	1.7
257.18951	7.9
259.20654	4.8
261.22208	7.9
271.21030	1.7
275.20087	54.9
277.21759	6.1
293.20987	7.5
331.22656	2.9
333.24524	3.9
335.25790	30.9
349.23758	26.4
351.25677	1.9
385.32184	1.9
473.36691	1.6
515.37335	3.6
517.40338	1.9
529.38989	4.1
535.41730	5.0
553.42535	5.0
555.40594	2.2
609.45166	53.4
627.28601	3.3
627.46301	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	1.5
53.03935	5.9
53.83937	1.4
55.01872	7.2
55.05512	32.4
57.03439	12.9
57.07073	9.8
59.05004	1.4
65.03950	3.7
65.51366	1.5
67.05506	76.5
68.64334	1.8
69.03455	1.9
69.07070	34.2
71.04988	5.4
71.08634	73.8
77.03918	1.6
79.05494	69.7
81.03416	5.6
81.07059	91.8
83.04987	10.6
83.08625	19.9
85.06582	3.6
91.05487	76.9
92.05841	2.0
93.07045	85.5
95.04975	13.2
95.08610	63.8
96.08955	2.4
97.06552	9.3
97.10160	7.7
99.08096	38.0
103.05433	2.1
105.04516	1.6
105.07036	66.9
106.07352	2.1
107.04955	6.6
107.08597	43.2
109.06519	5.0
109.10155	27.7
111.08081	3.2
113.09612	1.9
115.05439	2.7
117.07024	28.0
119.08582	54.7
121.06488	4.1
121.09229	1.7
121.10143	34.4
123.08079	3.0
123.11734	7.7
125.09640	5.7
127.11189	1.5
128.06209	3.7
129.05516	2.1
129.07010	20.9
130.07756	2.1
131.08577	42.8
133.06483	1.8
133.09137	2.3
133.10138	46.1
135.08057	2.7
135.10713	2.4
135.11697	30.4
137.09645	2.8
137.13252	1.6
139.11234	1.9
141.06990	5.7
141.09111	2.4
142.07767	3.8
143.08575	26.1
144.09216	1.9
145.09061	2.5
145.10130	34.0
147.08041	2.0
147.11699	28.8
149.09593	2.5
149.13263	16.0
151.11211	14.5
155.08585	9.9
156.09372	1.8
157.10141	21.9
158.10873	1.7
159.11710	27.7
161.09575	2.0
161.13251	26.5
163.11223	6.5
163.14819	4.6
165.12738	1.7
167.08549	4.3
167.10768	1.5
169.10086	13.1
171.11690	23.5
173.11760	4.9
173.13286	18.5
175.11171	2.6
175.14859	16.2
177.12793	4.5
177.16420	3.3
179.14310	42.6
181.10170	9.5
183.11719	11.2
185.13263	17.1
187.14792	9.3
189.12720	4.2
189.16336	2.9
191.14357	1.7
195.11717	5.6
197.13231	10.2
199.14857	9.2
201.16428	3.2
207.11780	3.1
209.13264	4.8
211.14813	6.2
213.16295	7.1
215.18007	3.4
217.19531	4.3
219.17505	3.9
221.15375	2.5
223.14786	3.0
225.16420	2.3
227.17873	1.7
229.19475	2.1
231.21130	4.1
235.14781	1.9
235.16989	2.7
237.16306	2.2
239.17953	3.0
241.19513	26.4
243.21072	2.7
251.17876	2.2
257.19012	6.5
259.20581	34.3
261.22101	2.2
267.21112	1.6
273.18436	2.4
275.20062	6.9
277.21637	43.3
281.22772	1.9
283.20480	2.7
293.21225	5.5
295.23050	3.1
297.22250	3.2
313.21509	2.3
315.23285	7.8
325.25189	1.7
327.23117	1.8
333.24289	34.5
335.25751	5.0
349.23779	5.1
351.25287	42.7
377.35062	1.6
419.33209	4.8
435.32635	3.2
437.34134	17.1
455.35220	3.0
493.36594	4.2
495.34360	2.6
501.35141	1.9
509.35974	2.2
511.37912	16.4
513.35687	6.4
517.40283	5.3
527.37177	2.2
529.38300	3.7
535.41260	9.2
553.42444	4.1
599.27350	2.2
609.45154	85.7
627.27057	3.1
627.46375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.05516	18.7
57.07068	5.4
65.03933	2.1
65.39999	1.3
67.05508	38.1
69.07074	33.2
71.08633	1.3
79.05499	29.9
81.07063	96.7
83.08622	16.3
85.06538	2.8
86.36718	1.3
91.05482	22.4
93.07049	51.5
95.04996	2.3
95.08614	100.0
97.06547	2.7
97.10184	9.5
98.21523	3.3
105.04551	2.6
105.07037	45.8
107.08602	66.3
109.10165	69.8
111.11712	6.9
115.05487	1.9
117.07041	6.0
119.06140	2.0
119.08592	50.3
120.11684	1.3
121.10154	58.1
123.08054	2.6
123.11719	31.7
125.09652	4.0
125.13309	2.6
127.11263	1.4
128.06261	1.6
129.07022	2.4
130.07851	1.6
131.08582	17.3
133.10133	36.1
133.11099	2.3
135.11702	37.8
137.09596	1.9
137.13255	9.7
143.08513	6.6
144.09378	1.5
145.10135	25.8
147.11703	28.3
149.13266	31.7
151.11247	2.1
151.14859	3.6
155.08604	3.2
156.09354	1.3
157.10126	12.8
159.11703	29.9
161.13268	29.2
163.14839	20.3
165.16444	2.6
169.10190	5.9
171.11697	12.9
173.13266	24.8
173.14658	1.9
175.14838	20.7
177.16380	14.1
183.11720	5.9
185.13295	11.4
187.14806	16.4
189.16402	18.0
191.17969	6.6
193.15883	1.7
195.11845	1.4
197.13326	4.6
199.14825	9.1
201.16391	12.6
203.17949	15.4
205.19547	2.3
209.13309	2.3
211.14854	4.3
213.16449	8.9
215.17998	9.8
217.19572	10.7
217.35095	1.3
223.14766	2.6
225.16437	4.2
226.01123	1.3
227.18011	8.3
229.19534	8.0
231.21114	3.4
239.17981	1.7
241.19615	4.3
243.21205	7.1
245.22751	4.0
253.19576	2.3
255.21129	3.7
257.22714	4.7
259.24188	1.7
265.19739	1.9
267.21216	4.4
269.22772	5.5
271.24365	5.7
281.22665	2.4
283.24268	5.2
285.25717	2.7
295.24283	3.6
297.25772	2.7
309.25803	1.8
311.27383	3.0
323.27463	2.1
325.29004	2.2
327.26871	1.4
327.30319	1.6
337.29071	3.6
339.30511	1.6
351.30447	2.5
365.32150	1.7
369.31659	1.8
391.33771	2.1
393.35794	1.9
403.33795	1.4
405.35092	1.6
409.34708	1.7
433.38580	2.3
451.39017	1.7
459.39865	1.9
499.43250	2.0
541.48419	1.4
544.09503	1.5
545.47070	2.4
571.48590	1.9
609.54059	21.5
609.62988	2.5
627.55042	98.3
628.37299	3.0
628.54956	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	628.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32611	1.1
58.34298	1.1
65.29253	1.1
67.05503	1.9
69.03422	1.3
69.27233	1.0
69.44438	0.9
69.74789	3.0
69.75204	3.0
69.78313	1.1
70.06563	2.2
72.64006	0.9
73.15780	1.0
78.36919	1.0
79.05492	7.1
80.05026	1.2
81.03409	1.3
81.07047	1.8
82.58663	1.0
85.02889	1.7
86.09723	1.7
91.05477	3.7
93.07031	6.9
94.06575	1.9
95.04958	1.9
96.93014	1.3
97.06559	1.4
98.21455	1.5
103.05474	5.6
105.05782	1.8
108.08129	5.8
110.09711	2.3
118.06555	2.5
119.07349	1.8
119.21626	1.0
120.08111	30.8
122.06023	3.1
134.06071	1.3
135.86288	1.3
136.07593	13.2
138.09174	4.4
139.03839	1.1
143.08809	1.0
146.06006	3.6
148.07576	100.0
153.01469	1.2
163.03912	2.2
164.04306	1.1
164.07082	3.2
166.08690	5.8
171.19189	1.1
174.05367	1.5
184.07372	1.4
199.08727	1.3
209.10751	1.6
211.08696	3.1
213.10286	1.7
222.07678	1.8
223.08734	2.5
224.09224	2.1
225.10210	4.2
227.08182	3.1
235.08772	1.7
237.10242	15.0
238.07228	1.4
238.10982	1.5
239.08327	5.4
239.11790	4.8
241.09721	4.6
249.10162	1.6
249.81230	1.3
250.07262	1.6
251.08173	4.3
252.08720	20.5
253.09746	9.0
255.07846	1.3
255.11272	4.0
265.09723	29.0
266.10489	3.0
267.07684	3.3
267.11264	6.1
267.78073	1.4
269.09253	2.6
277.09692	1.6
279.07434	1.1
281.09186	17.0
283.10782	10.2
287.10284	2.6
293.09235	23.1
294.09882	2.5
295.10760	14.1
299.10355	3.7
301.11963	3.1
307.10910	2.2
309.08713	3.3
311.10254	22.2
313.11835	2.2
321.08652	10.1
325.11719	1.3
327.09766	13.9
335.10254	1.2
339.09766	41.9
341.11343	3.7
343.12985	2.2
344.17883	1.2
353.11157	5.9
356.13873	1.7
357.14633	1.4
358.15598	2.2
359.12396	18.1
371.12387	31.1
385.14105	2.3
400.16403	5.4
402.18414	1.8
418.18021	2.1
428.15985	3.5
446.17416	6.7
448.18457	1.7
474.16580	14.5
478.19354	1.5
488.18002	2.0
492.17688	6.9
506.19189	11.9
520.22412	1.2
524.20148	2.8
534.18756	16.1
550.18323	5.9
560.16510	3.7
566.21301	10.6
578.17725	86.4
592.18573	2.3
593.16669	1.3
610.20483	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	628.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.91033	1.1
58.74778	1.1
65.93055	1.0
67.05489	1.5
69.17027	12.3
70.06592	1.8
79.05507	7.6
80.04998	2.1
81.03387	2.0
81.07072	1.2
85.02882	1.6
91.05492	5.6
93.07047	6.9
94.06548	3.1
95.04993	1.8
96.08130	1.7
103.05471	6.3
105.05753	2.0
108.08141	7.5
110.09689	2.8
118.06519	3.1
119.07343	1.8
120.08114	40.8
122.06018	2.8
127.03876	1.3
132.08072	1.3
136.07591	11.9
137.59438	1.1
138.05531	1.5
138.09102	4.6
146.06024	6.7
148.07581	100.0
150.09198	1.5
152.06984	1.5
164.07112	2.6
166.04964	2.1
166.08655	8.8
174.05530	1.5
194.09688	1.2
206.08330	1.4
209.10855	1.3
211.08690	3.7
213.10104	1.4
223.08679	2.7
224.09212	1.2
225.10226	4.6
227.08130	3.9
227.11829	1.6
237.10225	18.2
238.07268	1.3
238.10966	1.4
239.08203	7.1
239.11830	3.1
241.09709	4.0
249.10020	1.6
251.08121	4.6
252.08675	24.2
253.09724	9.7
254.08118	1.5
255.11287	4.2
264.08698	1.2
265.09726	30.3
266.10471	3.4
267.07632	3.6
267.11203	6.4
269.09204	1.7
280.08234	1.4
281.09241	19.2
283.10751	9.6
287.10248	3.9
293.09259	23.7
295.10837	15.0
299.10220	4.9
301.11957	2.1
307.10739	1.3
309.08603	3.8
311.07022	1.9
311.10294	22.0
313.11929	4.6
321.08704	11.9
325.11768	1.8
327.09735	13.4
339.09760	41.9
341.11517	2.5
344.13928	1.2
353.11395	6.3
356.14072	1.6
357.14749	3.1
358.15488	2.6
359.12393	16.5
371.12360	31.5
372.13058	1.3
384.13315	1.7
385.14108	2.0
400.16422	3.9
402.18201	1.9
418.17728	2.4
428.15918	4.8
430.17496	1.3
446.17081	5.1
448.18518	1.2
474.16641	11.5
488.17810	1.7
492.17657	6.4
506.19202	11.7
524.20087	3.7
534.18854	14.1
550.18201	7.8
560.16864	2.7
566.21204	9.9
578.17731	92.7
579.17316	1.6
592.18726	2.6
610.20380	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	629.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92315	0.7
55.05515	1.0
55.73157	0.7
57.07065	1.0
64.01860	0.8
64.16018	0.7
67.05508	4.3
69.07073	1.6
71.53579	1.5
75.04492	1.1
79.05488	3.8
81.07059	5.1
83.08623	1.4
91.05473	2.9
93.07048	2.6
95.08598	2.8
97.10155	1.0
105.07014	3.4
107.08611	1.8
109.10125	2.0
111.07954	0.9
117.07010	1.4
119.08578	2.1
121.10167	1.7
123.11640	1.0
131.08583	0.9
133.10089	1.1
135.11754	1.2
164.10684	1.2
173.13309	1.0
174.09283	1.0
209.10670	1.3
221.10658	1.3
221.94678	0.8
223.12355	2.1
235.12366	1.6
238.14694	1.0
238.16864	1.0
241.93646	0.9
245.10461	0.9
249.13954	1.4
251.15489	1.2
260.11993	1.1
274.13382	2.0
275.14185	1.0
275.20007	1.1
276.14960	1.7
279.15042	1.1
302.12933	3.8
303.13879	1.0
304.14627	1.8
314.16446	1.4
318.16092	3.3
323.13983	2.1
332.17654	1.2
333.18680	1.1
335.25583	1.5
341.15146	0.9
342.19702	1.2
350.16580	1.4
351.17007	1.0
352.17145	2.1
353.17712	2.0
354.19385	1.4
362.15369	1.6
364.18140	1.6
365.17908	2.1
367.19366	2.6
378.19583	1.7
379.19516	1.6
380.20697	1.1
381.20856	3.3
383.15863	0.9
385.22141	1.0
393.16846	1.4
394.18185	1.2
395.18066	4.5
398.18405	1.7
406.14163	1.6
407.18799	1.9
409.20126	5.9
410.21164	4.1
410.90112	0.9
411.19019	0.9
413.19968	0.9
420.20978	1.0
421.20776	1.7
422.17432	2.1
423.21661	3.0
424.22403	2.6
425.23779	1.5
429.20898	4.8
435.21713	1.1
437.23709	2.7
438.22604	1.0
439.21210	1.2
440.19980	1.9
449.19296	1.2
451.20868	1.5
452.19836	1.4
455.25024	1.8
465.22604	3.6
467.20926	4.4
468.21542	1.0
469.22076	2.8
479.24472	1.1
480.22672	1.7
481.26703	4.3
482.23544	4.5
483.23883	7.1
489.22433	1.6
494.23035	1.0
495.20056	1.5
497.25873	7.5
498.26370	4.8
508.22534	1.9
510.22348	2.1
511.23618	1.0
513.25073	1.9
525.25140	21.5
527.22845	1.2
541.24670	1.6
542.25146	1.5
543.26111	5.6
553.24493	18.0
557.23804	2.1
567.25726	2.4
569.24060	4.9
583.25098	1.4
585.27063	100.0
586.24677	1.7
587.24951	9.2
611.25024	6.6
629.25928	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	629.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.01855	1.1
55.05510	6.6
57.03441	2.4
57.07079	1.7
59.58635	1.0
65.03947	1.7
67.05507	14.7
69.07068	5.1
69.17112	10.6
71.08636	8.5
78.56885	1.0
79.05497	13.8
81.07066	16.2
83.08646	1.9
85.27403	1.0
89.06030	2.0
91.05473	8.8
93.07050	13.5
95.04972	2.7
95.08613	12.8
97.06503	2.2
97.10163	1.7
99.08070	5.3
105.07028	6.6
107.04980	1.8
107.08600	10.2
108.08942	1.1
109.10174	5.4
113.09644	1.4
117.07028	2.3
119.08584	6.0
121.06505	1.8
121.10146	8.9
125.09664	1.2
129.06969	1.1
131.08578	4.0
133.08636	1.5
133.10150	3.0
135.11739	6.1
137.09627	1.1
145.10150	4.6
147.11702	3.4
149.13268	2.9
151.11237	2.9
159.11697	1.6
161.13353	3.7
170.26988	1.1
173.13280	1.2
179.14346	7.0
185.13249	1.2
187.14871	1.6
216.50423	1.2
243.21136	1.8
261.22263	2.0
275.20270	1.0
276.20572	2.2
277.21652	9.2
283.13919	1.1
317.24860	1.2
335.25891	10.8
337.27539	1.3
351.25311	6.8
365.17572	1.5
379.19504	1.7
382.19528	2.0
392.16885	1.2
394.18069	1.7
407.18896	1.2
408.19479	1.9
409.20248	4.2
421.20496	2.9
422.21048	1.1
423.21878	11.0
424.22455	1.2
435.21875	2.9
436.22498	1.8
437.23492	1.3
454.20456	1.9
456.24237	1.1
461.23520	3.2
463.21713	2.1
467.20905	4.3
476.22418	1.2
477.22760	3.2
482.23001	2.7
493.22202	1.4
495.23935	2.8
508.25064	7.7
509.25858	7.9
510.26239	7.0
511.27371	8.8
519.23700	1.6
525.28772	2.9
537.24896	11.2
541.24561	4.2
542.28674	1.5
554.25555	1.5
569.27655	12.7
597.27106	28.1
598.27655	1.3
601.30457	3.1
610.44965	1.9
611.46600	17.8
629.29749	100.0
629.47479	8.2
630.29950	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.9
55.01868	3.8
55.05518	23.4
57.03238	1.0
57.03443	10.5
57.07082	8.1
65.03934	4.9
67.05508	65.0
68.05846	3.0
69.07070	23.2
71.04995	3.0
71.08639	41.1
79.05500	67.2
80.05796	1.4
81.03413	4.4
81.07063	72.8
82.07361	2.5
83.04998	8.3
83.08617	14.8
85.06541	4.3
89.06045	1.9
91.05485	41.8
92.05825	2.5
93.07052	83.9
94.07375	1.8
95.04981	10.0
95.08613	55.5
96.08912	1.3
97.06544	12.9
97.10165	4.5
98.21532	2.4
99.08099	28.1
103.05486	1.3
105.04508	2.9
105.07037	34.0
107.04968	7.3
107.08605	40.3
109.06515	5.3
109.09462	1.9
109.10164	19.7
111.08084	3.3
113.09635	3.7
117.07024	11.3
119.08594	22.4
121.06544	1.7
121.10154	31.9
123.08069	3.7
123.11691	4.0
125.09657	2.4
128.06114	1.5
129.06999	7.1
130.32927	1.3
131.08557	17.5
132.08949	1.8
133.10146	18.7
135.08060	1.9
135.11696	30.1
137.09639	3.9
137.13249	1.8
139.11250	2.0
141.09129	3.3
143.08571	6.4
145.10155	15.5
146.10458	1.5
147.11679	12.7
149.09619	1.8
149.13258	14.1
151.11197	13.6
153.12776	1.9
155.08534	1.9
157.10147	5.0
159.11711	10.8
161.09613	1.4
161.13272	14.4
163.11180	6.2
163.14847	6.2
169.10095	2.0
171.11716	5.4
173.11833	2.2
173.13283	7.4
175.14824	4.6
177.12753	2.5
177.16376	2.5
179.14320	64.7
183.11705	2.4
185.13290	3.7
187.14862	4.4
189.16365	2.0
199.14836	3.8
201.16426	2.6
213.16469	2.3
215.14355	1.4
219.17438	6.7
220.17787	5.3
221.15358	2.8
221.18019	2.5
223.24739	1.3
231.17326	1.4
233.22748	2.2
235.16878	1.8
241.19583	3.0
243.21098	12.8
259.20563	2.8
261.22223	14.5
275.20056	2.6
277.21652	49.3
295.22742	6.1
317.24799	9.5
335.25830	49.5
336.26266	4.6
337.26553	4.5
351.25311	39.7
404.61633	1.4
439.35931	3.3
457.36728	1.9
512.10199	1.5
513.39282	6.9
515.36938	3.8
519.42426	1.8
529.38934	2.1
531.40509	2.3
611.46649	100.0
612.46558	2.5
629.47559	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	630.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44015	1.2
53.03936	5.4
54.04214	1.3
55.01870	6.1
55.05523	3.9
57.03443	3.4
60.64603	1.4
61.02919	2.2
61.19851	1.3
67.05506	7.3
69.03435	18.6
69.07073	9.5
69.37764	8.8
69.38176	2.9
71.04993	6.2
77.03897	1.6
79.05493	13.0
79.99245	1.3
80.11706	1.3
80.15916	1.2
81.03425	15.8
81.07066	22.7
83.04990	16.1
83.08619	5.7
85.02905	19.8
85.06553	3.7
86.30769	1.3
89.03931	1.5
91.05482	15.9
93.03413	7.4
93.07049	27.1
95.04970	13.6
95.08606	23.7
97.02908	10.6
97.06535	20.0
99.04449	19.4
103.05455	5.6
105.06392	2.4
105.07040	25.3
106.04170	13.8
107.04949	6.1
107.08612	18.6
109.02882	19.1
109.06521	21.8
109.10126	2.7
109.34689	1.4
111.04435	2.4
111.08092	17.7
113.06001	2.4
115.05466	1.6
117.03403	3.7
119.04934	2.1
119.08594	13.6
121.06509	64.9
121.10165	3.2
123.04453	3.4
123.08114	3.8
123.11704	6.3
125.06004	24.6
127.03919	38.3
127.07550	7.0
129.07004	2.4
131.04933	1.7
131.08598	3.5
133.06502	9.4
133.10141	13.5
134.03636	2.8
135.04431	6.3
135.08046	9.0
137.05956	5.0
137.14627	1.3
139.07550	17.8
141.05537	1.8
142.07829	1.5
143.06047	2.3
143.07045	18.5
143.08543	3.7
145.02859	4.2
145.04979	7.2
145.10124	5.4
147.04366	2.8
147.08032	3.9
147.11696	30.9
148.05130	1.7
149.05984	32.3
149.13280	3.0
151.07562	3.4
151.11147	4.2
153.05457	2.8
153.09120	9.4
157.08615	5.8
157.10123	10.0
159.06543	7.6
159.07933	2.0
161.06012	17.8
161.09595	2.0
161.13287	7.2
163.03923	7.4
163.07527	3.3
165.09158	1.5
165.12773	11.4
167.07062	4.7
169.12242	17.4
171.10376	2.6
171.11649	12.6
173.05907	1.4
173.09639	3.9
175.11186	27.2
176.11557	1.8
177.05470	15.6
177.09010	1.8
179.06967	1.7
180.99149	1.4
181.08624	10.3
181.10068	3.1
187.06050	7.9
189.12750	23.6
191.07065	6.2
191.10710	2.3
191.14221	1.9
192.07802	1.7
193.08636	16.8
193.10234	1.8
193.10565	2.6
193.12254	27.9
195.06577	3.3
199.11179	18.9
205.07085	5.5
207.13783	10.2
209.08099	82.1
211.13293	20.3
217.12250	59.7
223.06029	23.0
229.14323	10.0
235.13310	56.5
237.11172	3.8
251.12608	1.7
253.14369	100.0
254.14761	1.7
271.15417	40.9
289.16455	22.2
313.16461	3.9
331.17590	2.9
337.16327	2.0
343.15353	3.0
361.16467	8.6
379.17505	22.9
397.18555	47.3
415.19644	55.9
433.20718	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	630.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.0
57.07079	32.6
59.05017	1.0
67.05506	4.2
69.07072	2.9
69.85730	5.2
71.08635	24.7
73.06557	8.9
73.74271	0.8
77.95250	0.8
79.05481	1.7
81.03419	1.4
81.07045	3.5
83.08618	3.0
85.06513	1.1
85.10184	18.8
87.04479	7.5
89.06036	100.0
91.05483	2.4
91.07613	0.9
93.07050	2.8
93.47095	1.1
95.08597	2.2
97.10176	5.2
98.08248	1.1
98.21479	1.9
99.11743	3.2
102.09251	1.0
105.07040	2.9
107.07074	1.3
107.08603	3.0
109.10148	1.3
113.13279	1.8
117.09138	7.4
119.08621	1.6
121.10102	1.4
122.62952	0.9
130.08646	4.6
131.07054	2.5
131.08557	1.1
133.08615	54.8
155.17906	5.9
157.10278	1.0
161.11797	2.1
167.90919	0.9
170.19783	0.9
175.09778	1.2
177.11229	25.8
177.12721	1.8
184.07472	1.1
198.14893	1.3
199.20558	3.7
221.13890	4.6
240.23245	2.1
243.23206	10.0
256.26343	2.3
265.16367	1.8
273.49860	1.1
274.27359	2.1
283.17419	1.6
287.25766	6.9
313.60513	1.0
327.20258	1.2
353.22037	1.3
371.22885	1.3
415.25702	1.0
459.27667	4.7
489.35901	2.7
505.34930	1.3
613.45209	9.8
630.48212	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	631.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39913	0.8
57.07032	1.0
66.58118	0.8
67.05444	2.6
69.07057	0.9
79.05442	1.2
81.07001	1.8
87.17890	0.7
89.05973	2.0
91.05438	1.4
93.07005	1.9
95.08532	2.1
105.06964	1.8
109.10153	0.9
117.06909	0.8
119.08494	1.1
121.10103	1.1
127.42397	0.8
131.08490	0.9
145.10048	0.9
162.33458	0.8
235.27885	1.0
336.25931	0.8
417.20770	1.1
461.26965	0.8
491.23975	2.0
491.32645	0.8
499.20996	1.4
508.18555	2.9
511.24753	7.8
522.20093	7.2
533.25470	3.2
537.22626	99.1
538.22797	1.2
543.27118	1.0
555.23663	44.2
569.25226	5.7
572.23792	1.2
581.21576	21.0
581.30743	1.3
587.26343	31.8
595.63043	0.8
599.22571	2.3
613.24225	31.5
630.47406	1.2
631.25244	100.0
632.25494	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62365	1.7
53.03946	4.6
54.16370	1.7
55.01873	13.1
55.05514	100.0
57.03431	12.2
57.07066	1.8
57.40012	2.0
59.04999	7.7
60.00620	2.2
63.06018	2.0
63.18130	1.8
65.03931	5.5
67.05508	91.5
69.03426	8.0
69.07073	22.8
71.01350	5.9
71.04994	7.4
73.02917	5.0
76.89454	1.8
79.05492	36.0
81.03425	20.5
81.07059	37.1
83.04977	15.1
83.08620	39.4
85.02914	26.8
85.06537	4.0
87.04453	11.1
91.05479	25.4
93.07060	20.8
95.04987	7.4
95.08608	20.9
97.02885	5.0
97.06520	6.1
97.10175	83.4
98.09676	5.9
98.21514	6.0
99.04481	2.4
105.07056	10.6
107.04984	5.9
107.08601	27.1
109.06519	3.0
109.10161	69.1
109.33290	2.0
111.04427	2.8
111.08079	7.6
117.07025	5.1
117.77448	2.2
117.99226	2.2
119.08580	13.9
121.10117	8.6
123.08051	5.1
125.09633	79.2
127.03883	2.5
129.07042	5.0
131.08588	5.6
133.10143	6.0
135.08047	1.9
135.11710	9.1
137.09602	5.7
139.11214	1.9
143.08603	2.5
143.10675	7.0
145.10115	11.7
147.08038	3.9
147.11684	4.3
149.09628	3.6
153.12746	4.8
155.10649	10.8
157.10098	3.4
157.12215	5.2
157.29698	1.9
163.11179	13.0
173.09520	4.3
173.10144	3.2
173.11743	59.6
178.57822	2.1
181.12231	3.6
187.13290	13.9
191.10664	3.7
193.12227	9.3
199.13333	3.0
209.11728	8.3
211.13222	2.4
225.14946	4.3
227.12784	3.4
243.45032	1.9
275.20078	4.8
291.19650	2.7
474.71902	2.1
632.25537	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.3
57.03421	0.1
67.05515	1.3
69.03428	0.2
69.07059	0.3
70.17881	0.2
70.18229	0.7
70.46175	0.1
70.82909	0.1
78.66022	0.1
79.05476	0.6
81.03373	0.2
81.07061	0.9
83.08620	0.2
86.09696	0.3
91.05462	0.5
93.07045	0.7
95.04942	0.2
95.08590	0.5
97.06517	0.3
98.98460	2.3
105.07005	0.5
107.08562	0.4
109.10132	0.6
117.07011	0.4
118.06563	1.2
119.08581	0.3
121.10125	0.3
125.00011	7.0
129.06921	0.2
131.08577	0.4
132.08080	0.4
132.96555	0.1
133.08835	0.4
133.10078	0.2
144.08089	9.4
145.08890	0.3
145.10110	0.3
146.09624	0.4
151.11206	0.2
158.09639	2.9
159.10463	1.8
160.11243	0.6
172.11212	2.8
173.00435	0.2
173.11954	0.4
176.14357	10.3
184.07309	0.8
186.12810	0.2
202.15915	87.0
203.16251	0.7
220.16982	9.7
236.14824	0.1
300.13599	100.0
301.13953	0.5
374.17459	0.4
448.98923	0.1
616.37500	1.2
634.38873	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	636.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01870	2.4
55.05519	7.5
57.03442	10.9
58.49550	0.7
59.04995	3.2
61.02916	2.9
65.03946	1.3
67.05511	54.9
69.03420	3.3
69.07076	5.7
71.05001	3.8
71.16440	1.3
73.02918	1.3
74.09715	1.8
79.05494	11.4
79.15495	0.8
81.03425	30.5
81.07062	18.2
83.04989	8.6
83.08622	13.7
85.02918	14.5
85.06543	2.6
89.46740	0.7
91.03945	1.8
91.05481	16.4
93.07050	10.5
95.04981	10.8
95.08617	9.2
97.02892	4.5
97.06532	2.3
97.10158	2.4
105.07039	11.6
107.04948	3.3
107.08590	5.7
109.02897	1.0
109.06531	2.2
109.10165	52.9
111.04424	1.8
111.08086	8.6
113.06003	1.4
119.04977	0.7
119.08590	13.3
121.06540	0.9
121.10146	4.4
123.08065	1.9
123.11739	2.1
123.54472	1.1
125.09632	1.7
127.03903	1.9
127.11215	1.6
127.65104	0.7
129.07014	5.0
131.08582	5.8
133.06471	1.5
133.10133	5.4
135.08131	0.7
137.09653	3.5
139.11263	0.8
142.07785	1.5
145.10114	1.3
147.04446	0.8
147.08057	2.0
147.11710	9.8
149.09633	3.4
151.11180	1.2
155.10686	3.4
157.10143	6.2
163.03976	1.4
163.11229	1.0
165.12747	2.4
171.09467	0.8
173.11749	12.9
175.11214	7.1
184.07349	1.0
193.12263	22.0
211.11646	0.6
211.13310	34.6
229.14360	53.4
230.14883	0.9
243.15926	0.8
246.48517	0.9
261.94791	0.8
267.15948	14.4
285.16980	29.0
335.25839	1.7
353.26917	2.6
371.27994	2.3
403.24725	1.1
421.25861	15.2
427.68536	0.8
433.56790	0.9
439.26956	100.0
440.27338	1.4
583.30707	0.9
636.30988	1.5
637.32013	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01874	1.7
55.05508	9.6
57.03441	8.5
57.07093	1.3
59.05006	2.6
61.02914	3.3
65.03950	1.5
67.05507	43.5
69.03420	4.7
69.07069	8.1
71.04980	4.4
71.52972	1.3
74.09711	3.1
78.53773	0.9
79.05494	10.4
80.82323	1.0
81.03421	23.7
81.07053	17.8
83.04996	8.4
83.08611	14.3
85.02903	13.7
85.06556	2.4
88.60773	1.1
91.03901	1.0
91.05487	16.3
93.07045	11.3
95.04979	9.1
95.08603	9.8
97.02891	3.9
97.06519	3.1
97.10163	2.4
99.04453	2.6
105.07047	11.1
107.04943	3.5
107.07365	1.2
107.08586	4.9
108.08104	2.0
109.06519	2.2
109.10162	45.9
111.04433	1.3
111.08083	6.6
113.06099	1.3
115.03870	1.1
117.06989	1.8
117.80694	1.0
119.08578	11.2
120.08092	4.4
121.06495	1.2
121.10171	6.1
122.06019	3.8
122.09655	3.1
123.04374	1.2
123.08140	1.7
123.11680	3.3
125.09653	1.3
127.03923	2.2
127.07547	1.1
127.11227	1.9
129.07001	3.9
131.08562	4.9
133.06451	1.1
133.10152	6.4
135.11707	1.6
136.07562	3.5
137.09608	3.9
142.07706	1.4
145.10104	2.0
147.04393	1.0
147.08073	1.7
147.11681	10.7
148.07536	7.9
149.09619	3.6
150.09145	5.1
151.11195	3.3
153.12708	1.2
155.10703	3.5
157.10179	5.2
161.09584	1.6
161.13277	1.9
163.11171	1.3
165.12784	3.4
173.11777	11.1
175.11238	6.8
177.12892	1.0
184.07327	1.2
193.12250	21.6
207.13899	1.1
211.13307	28.6
225.10344	1.3
229.14349	50.1
235.08658	1.6
236.09439	1.5
237.08136	1.2
237.10217	7.1
239.11740	1.8
243.15932	2.9
248.09329	1.6
249.10251	7.4
250.11037	2.3
251.11768	2.2
252.08876	1.2
253.09695	2.0
255.19653	1.5
261.10223	1.4
263.08237	1.5
264.09106	1.9
265.09714	7.1
266.10397	1.4
267.11282	3.1
267.15900	11.2
277.09760	7.3
278.10468	2.5
279.08377	1.3
279.11304	5.9
280.12167	1.2
281.09409	1.9
285.17004	25.0
291.11237	1.7
292.08597	1.2
292.12177	1.6
293.09256	6.2
293.12851	2.6
295.10770	1.5
305.09048	2.6
307.10803	2.8
309.08823	1.8
309.12192	2.6
311.10724	1.3
314.12601	1.1
317.24548	2.2
319.10785	3.0
323.10355	1.6
325.11603	1.9
327.13467	2.1
333.08585	1.4
335.10397	1.3
335.22107	1.8
335.25674	8.3
337.11957	3.6
339.13422	4.1
342.15924	1.6
343.13559	1.4
347.10284	1.8
351.09854	3.1
353.11166	1.6
353.14966	2.9
353.26871	12.8
355.13028	1.2
365.11377	4.3
370.11462	1.6
370.15485	3.4
371.27930	7.0
382.11649	1.7
383.12140	1.4
384.17252	1.5
385.13968	3.0
388.16284	1.3
389.13428	1.3
397.13968	7.4
421.25885	15.3
439.26920	100.0
440.27017	1.2
443.14474	1.2
457.16464	1.6
460.18948	1.5
472.18622	2.2
520.21094	1.9
531.55072	1.1
532.20721	3.5
550.21606	1.4
560.20129	3.2
564.22430	2.0
592.22900	51.6
593.23462	5.2
605.20715	1.9
618.32794	1.8
636.21960	33.1
636.31451	2.3
636.49896	1.7
637.22644	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	636.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.2
57.03415	0.1
58.03629	0.1
67.05511	0.6
67.64384	0.1
69.07051	0.2
69.17453	0.9
69.17866	0.3
72.06700	0.1
76.72916	0.1
79.05466	0.3
81.07058	0.5
83.08591	0.1
86.09683	0.3
91.05468	0.3
93.07008	0.3
95.08589	0.4
98.97870	0.2
98.98461	2.3
107.08578	0.2
117.06947	0.1
118.06532	1.2
120.08032	0.1
125.00008	6.5
132.08073	0.5
133.08809	0.4
133.09956	0.1
134.09647	0.2
144.08083	8.3
145.08887	0.2
146.09598	0.5
146.50525	0.1
158.09645	3.0
158.10951	0.2
159.10446	1.5
160.11273	0.5
162.09131	0.1
172.11189	2.3
173.12012	0.4
176.14348	10.3
184.07323	1.4
186.12773	0.2
191.27733	0.1
202.15907	86.1
203.16280	0.6
220.16965	9.2
235.22853	0.1
251.91682	0.1
273.18359	0.1
277.21634	0.1
291.19702	0.1
300.13583	100.0
301.13925	0.7
374.17249	0.2
576.23431	0.3
618.39233	1.2
636.25281	0.2
636.40289	5.1
643.80389	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13126	0.3
51.61084	0.3
55.05378	0.4
55.05613	0.4
59.73438	0.4
62.19305	0.3
67.05319	0.4
67.05624	0.8
69.07164	0.6
69.94320	1.4
81.07184	0.4
83.08766	0.6
85.89860	0.3
93.07194	0.4
98.97869	0.4
109.10303	0.8
126.64101	0.4
151.88986	0.4
209.10948	0.4
223.12646	0.4
236.13359	0.4
237.14240	0.6
294.88477	0.4
314.12488	0.4
403.19827	0.4
404.20102	0.5
405.21045	1.0
415.19730	0.4
419.23010	2.0
420.17743	0.4
420.23270	0.5
429.17520	0.4
431.19022	1.2
432.19861	0.9
433.20563	0.8
434.21109	0.4
443.18774	1.1
445.20700	0.8
447.22794	2.3
457.16107	2.3
458.21109	1.3
459.21921	1.2
460.18692	1.7
461.20187	1.7
462.20618	0.6
465.35519	1.8
469.16922	0.4
470.17511	0.9
471.18057	3.4
472.19028	1.5
475.17267	2.6
475.22589	8.4
476.22055	1.0
485.19788	3.1
486.20435	2.6
487.17520	0.4
488.18408	0.9
489.18195	0.7
489.23364	1.5
490.19949	8.0
491.20337	0.8
499.21466	1.4
500.21988	1.7
501.22968	6.7
502.20163	0.5
503.20721	20.8
504.21597	1.4
505.22623	0.7
507.24139	0.7
517.22400	11.1
517.30188	0.6
518.22839	0.6
519.24188	0.7
520.21228	1.0
529.22229	0.7
530.23358	0.6
535.23627	3.9
561.24921	0.6
563.22894	65.7
564.23315	1.5
574.21851	0.5
578.25226	22.5
579.25098	0.9
587.23279	0.5
605.24548	3.0
606.25909	0.6
637.26495	100.0
638.27087	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	637.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
67.05501	3.2
69.07061	2.0
69.77243	1.6
69.77638	1.7
79.05482	1.9
81.07053	2.1
83.08642	0.9
85.81081	0.8
86.09716	2.8
91.05482	1.7
92.05733	0.6
93.07069	1.9
95.08614	1.2
98.98472	2.8
100.34831	0.7
104.29848	0.7
105.07019	1.0
107.04948	1.5
109.10184	1.0
117.07028	0.7
118.06554	2.9
119.08575	1.3
124.99998	7.7
131.08595	0.8
144.08067	8.1
145.08481	2.1
158.09650	3.5
159.10298	1.4
159.11697	0.8
162.09108	1.6
172.11217	2.5
173.11800	1.3
176.14346	11.0
177.14726	4.3
184.07346	7.9
185.07718	1.1
198.96939	0.9
202.15912	61.1
203.16257	28.6
220.16975	41.4
221.17303	19.0
262.92990	0.8
291.19653	1.1
294.21344	0.7
300.13599	52.4
301.13934	25.3
339.28812	0.8
372.98843	1.4
387.16492	0.9
391.19397	2.3
399.16257	1.3
400.17026	1.2
401.17706	4.1
403.19656	1.0
405.16437	0.9
405.21158	1.2
407.13388	0.8
407.22345	2.3
414.18573	2.3
415.19324	6.2
416.20154	1.4
417.16382	1.1
417.20953	2.2
419.18567	2.3
425.17166	1.0
426.19470	0.7
428.20413	1.6
429.16434	1.3
429.20853	2.8
430.21463	2.3
431.18643	0.8
433.20712	1.9
441.17218	0.9
443.18011	1.3
443.22507	3.4
444.19391	4.1
445.20279	2.4
446.20813	2.0
447.17636	5.8
456.19785	1.5
457.20468	2.0
458.20981	2.1
459.17764	1.1
461.19989	2.4
462.20218	3.5
463.25070	0.9
465.35623	1.7
471.22400	9.3
473.18774	3.3
473.24603	0.9
474.20630	4.0
475.16544	1.0
475.22455	1.2
485.20102	1.3
486.20370	4.3
487.21222	0.9
489.23425	6.1
490.19583	5.7
499.21307	18.1
500.18188	1.1
500.23257	0.8
501.22998	6.0
502.20047	1.9
503.20807	3.0
507.24069	2.7
511.21661	1.2
514.20129	1.1
516.21033	0.9
517.22382	17.0
527.20581	2.3
529.22400	9.7
535.23419	10.8
545.21838	39.9
555.20288	2.2
559.23621	2.0
563.22583	4.2
573.21356	13.3
577.24384	1.1
578.24622	2.7
587.22864	1.7
605.23944	100.0
606.23798	2.1
618.39294	1.3
619.25189	0.9
619.39325	4.1
636.39874	4.9
637.26532	71.5
637.40466	23.6
638.26880	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.1
60.62368	1.2
67.05502	2.7
69.07069	1.3
71.53503	1.7
76.41638	1.1
79.05486	2.2
81.07051	3.1
91.05478	1.4
92.05142	1.0
93.07030	1.8
95.08564	1.6
101.44715	1.2
105.07027	2.0
107.08607	1.3
121.10210	1.1
125.43301	1.1
155.20078	1.1
213.92688	1.1
215.32620	1.2
249.10196	1.4
258.92429	1.3
305.17416	1.4
377.17444	2.5
378.18741	1.8
391.19284	3.0
392.20032	2.3
393.20837	3.1
401.17575	2.3
405.20889	2.1
407.22467	6.0
413.17529	1.8
414.18381	2.4
415.19241	3.8
421.20258	3.3
428.20212	1.8
429.21463	6.5
435.21826	3.8
441.17270	1.3
443.22754	3.0
444.19656	3.7
445.20392	2.6
447.17993	3.2
448.18594	1.3
457.20181	3.4
458.21088	2.5
459.17435	1.3
461.19583	1.4
463.21136	1.3
469.16995	1.7
471.21844	4.3
472.23178	2.2
473.19818	4.0
474.20520	3.2
485.19913	3.2
486.20572	4.6
489.19296	1.9
490.19958	3.1
491.20667	1.7
499.21375	8.2
500.21921	2.3
503.24448	2.6
513.19312	4.6
516.21350	1.5
517.22650	10.7
527.20941	3.2
529.22455	1.8
531.24463	9.4
539.39764	1.7
543.24060	2.3
549.25128	4.9
559.23456	50.7
578.25287	1.5
587.23053	11.4
591.26453	2.1
605.24036	6.7
605.32629	1.3
610.01929	1.3
619.15088	1.5
619.25519	52.4
637.26593	100.0
638.26898	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	637.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37052	0.2
55.57615	0.3
67.05455	0.6
69.07008	0.3
69.83353	1.6
69.83645	0.3
81.07009	0.7
88.08084	0.3
101.36371	0.3
103.97551	0.3
109.10114	0.5
113.08741	0.3
114.25620	0.3
120.10250	0.3
123.11686	0.3
132.08064	0.4
135.33182	0.3
137.93066	0.3
162.24553	0.3
182.09705	0.5
221.10730	0.4
222.11340	0.3
233.10744	0.4
242.48416	0.3
249.10252	0.6
259.12405	0.5
310.13385	0.4
340.14294	0.5
372.15131	0.7
373.15723	0.5
374.16376	0.4
375.17014	0.4
376.17746	0.4
377.17395	0.9
378.18411	0.8
384.14307	0.4
385.14752	0.4
386.15668	1.2
387.16257	0.6
388.17883	0.6
390.18729	0.8
391.19196	1.3
392.19937	1.3
393.20688	2.7
397.15283	0.6
398.15970	0.5
399.16162	1.7
400.16891	2.7
401.17694	3.9
402.18533	0.5
403.19489	0.5
405.20776	1.0
407.22241	3.1
410.15836	0.5
411.16296	0.4
412.17288	0.4
413.17697	3.5
414.18600	4.3
415.19370	9.2
416.19846	1.2
417.20737	1.2
418.19153	0.4
419.18707	0.7
419.23364	0.4
421.20114	2.9
424.16571	0.3
425.17984	1.7
427.14752	0.6
427.20123	1.7
428.20435	3.6
429.21249	8.4
430.21985	2.4
431.18747	1.0
433.20319	0.9
434.20721	0.3
435.21591	2.0
436.22583	0.7
439.19659	0.6
441.16901	1.6
442.17249	1.8
443.18356	3.6
443.22668	3.8
444.18878	4.8
445.20401	2.3
447.17352	0.7
447.22662	0.4
455.18689	1.0
456.19894	2.0
457.20630	5.0
458.21283	3.8
459.18286	1.1
461.19666	0.6
463.21213	0.4
469.16141	0.5
470.16528	0.5
471.22406	6.4
472.23239	4.5
473.19583	4.5
474.20724	0.9
475.21930	0.7
484.19064	1.1
485.19836	2.7
486.20596	6.1
487.21390	2.2
488.22134	1.1
489.22531	1.1
490.19601	2.4
491.21014	0.6
494.87582	0.4
498.20529	0.5
499.21399	10.6
500.17242	0.5
500.22000	2.0
501.22726	0.5
502.20105	0.9
503.24915	3.6
513.19037	1.5
514.20154	1.1
516.21667	1.4
517.22369	4.0
518.22711	0.9
521.25330	0.6
527.20892	2.7
528.21863	0.9
530.23969	0.7
531.23999	11.6
541.22815	0.6
543.23969	1.6
544.20740	0.7
545.21564	0.9
549.25195	1.1
559.23450	85.5
560.23889	1.2
577.24518	0.5
578.25275	0.4
587.22937	14.6
605.23877	0.6
619.25531	100.0
620.25824	2.0
637.26605	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	637.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95012	0.8
59.14149	0.7
59.94426	0.8
67.05505	2.2
69.07070	1.1
69.15187	2.9
69.15607	5.4
69.19745	0.7
75.58580	0.7
81.07059	2.7
82.76637	0.7
89.03963	0.7
91.05484	1.9
93.07034	1.8
94.06615	0.7
95.04987	0.7
95.08633	1.8
106.06596	0.8
107.07349	0.8
109.10152	1.5
121.10183	0.8
127.07529	0.9
161.75192	0.7
162.05539	1.6
168.08144	1.7
169.08937	1.1
179.06140	0.9
180.08226	1.1
181.07549	1.7
182.08415	1.0
191.07326	0.8
193.07677	1.8
194.08420	2.6
195.09155	6.3
196.10022	2.7
197.10750	4.4
200.09372	0.9
207.09261	3.4
208.07916	1.0
208.09906	4.5
209.07111	1.8
209.10725	7.9
210.07915	1.3
210.11523	7.6
211.12369	3.4
212.09489	1.0
212.13141	2.4
219.09254	1.8
221.07195	3.0
221.10794	1.2
222.07959	2.3
223.08725	9.3
223.12248	7.5
224.09467	17.3
224.13181	2.5
225.10255	8.7
225.13844	9.1
226.14711	2.5
227.15546	0.9
232.44788	0.7
235.08679	6.1
236.05653	1.2
236.09523	4.8
237.06718	1.0
237.10316	4.8
238.11095	3.8
239.08263	2.3
239.11893	1.9
241.09828	1.0
249.06732	1.8
249.10213	0.8
250.07573	1.4
250.11020	0.8
251.08134	4.6
251.11832	5.8
252.09032	1.7
253.09648	1.3
253.13394	23.8
255.11336	4.6
256.12100	4.7
263.08203	5.5
264.09012	3.5
265.06409	0.8
265.09805	3.7
265.13535	1.2
266.06952	1.4
266.10608	2.9
267.07666	1.7
269.09399	1.5
269.12894	2.4
270.13687	1.2
271.14349	1.9
272.07889	0.8
277.06189	2.1
279.07773	2.8
279.11392	6.8
281.09348	4.7
281.12802	2.0
283.10941	1.4
291.07675	9.8
292.08618	0.9
293.09326	1.6
295.07236	0.9
297.09000	1.6
297.12430	6.6
307.10876	1.4
309.08856	2.8
310.09457	5.2
311.10364	2.1
319.07257	1.9
323.10291	1.0
325.11816	5.9
337.08203	1.6
339.14221	0.8
340.11380	0.9
343.12936	1.0
351.09790	33.9
353.11508	1.3
369.10825	22.7
417.17886	1.0
447.18210	1.0
465.35757	1.0
470.17722	0.9
489.23267	1.7
491.20267	1.1
503.20483	1.9
517.22284	6.6
534.22467	1.2
545.22180	1.8
549.25073	1.3
573.21521	3.2
577.24548	29.0
605.24005	100.0
606.24408	1.6
637.26685	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	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.2
57.90253	0.7
60.20748	0.7
66.25301	0.6
67.05513	4.2
69.07059	2.1
69.18964	6.8
77.24871	0.7
79.05475	2.2
81.07053	2.8
83.08632	1.0
86.09706	3.6
91.05490	2.3
93.07069	2.1
95.08608	2.2
97.06538	0.9
97.10216	1.1
98.98490	2.2
109.10178	1.6
115.74093	0.8
118.06536	3.0
119.08570	1.1
121.10184	1.1
124.99993	7.7
126.12636	0.7
144.08096	8.7
145.08447	1.4
145.10187	0.9
157.10240	1.0
158.09700	3.5
159.10181	1.5
162.09178	1.5
172.11221	1.9
173.11610	0.9
176.10742	0.9
176.14357	14.6
176.15834	0.9
177.13225	1.0
177.14653	4.4
184.07372	10.6
200.51675	0.7
202.15919	63.4
203.16269	26.6
220.16986	40.3
221.17311	18.0
248.11276	0.7
257.92731	0.8
262.91141	0.7
275.20065	1.0
291.19632	1.2
300.13611	53.8
301.13956	20.8
307.25500	0.8
384.14084	1.2
391.19324	2.5
399.16049	1.5
400.17023	2.2
401.17798	3.5
402.18573	1.4
403.19061	1.5
405.20840	1.4
407.22211	1.2
413.17709	2.2
414.18457	2.2
415.19482	5.3
416.20502	1.0
417.21091	1.2
419.18628	2.3
427.19379	1.1
428.19986	2.5
429.20792	2.6
430.21475	2.9
431.18881	2.0
433.16266	1.1
434.21368	1.1
442.17310	0.9
443.22516	3.3
444.19336	4.5
445.20139	2.6
446.20963	1.3
447.17807	6.6
456.19476	1.2
457.20657	1.0
458.21024	2.5
459.18127	1.3
461.19702	1.6
462.20303	4.5
465.35849	2.9
471.22281	7.6
472.23422	1.1
473.20026	3.4
474.20648	3.0
475.17679	2.6
483.21683	1.0
484.19083	1.1
485.20053	2.1
486.20798	3.4
489.23364	5.6
490.19824	5.3
499.21402	17.5
500.18185	1.2
501.22977	6.7
502.19897	1.1
503.20853	2.9
507.23752	2.2
513.19202	0.9
514.19611	1.3
516.21924	1.0
517.22485	16.7
527.20880	3.0
529.22308	8.9
535.23480	11.4
545.21906	42.2
555.20038	1.8
559.23352	2.8
563.23065	5.2
573.21417	12.8
574.21466	1.3
578.24884	1.8
587.22693	1.5
605.23975	100.0
606.24689	1.9
618.39709	1.0
619.25488	1.4
619.39087	3.9
636.40247	4.8
637.26575	72.3
637.40515	19.9
638.27069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85915	0.5
56.33115	0.5
60.36709	0.5
67.05502	1.4
70.03307	2.4
77.74534	0.5
78.06496	0.5
95.23310	0.6
98.20803	1.0
109.10122	0.5
122.09785	0.6
132.72906	0.6
149.98700	0.6
196.56183	0.5
245.92218	0.5
277.21777	0.5
300.22318	0.6
389.18201	0.6
402.18530	0.9
403.19296	1.3
404.19952	0.7
405.20706	0.7
415.19278	1.3
416.20493	0.7
417.20648	2.2
418.21674	0.8
419.22754	2.6
429.16428	1.2
429.21426	0.7
430.17853	2.4
431.18057	2.7
432.18854	0.8
433.19928	1.1
443.18436	2.3
444.19232	3.4
445.20029	9.2
446.20856	2.3
447.21710	2.2
458.21024	9.8
459.21796	6.6
460.22928	5.8
461.19199	3.7
471.18015	1.1
473.23364	1.0
474.20053	0.5
475.22229	3.5
476.21933	1.2
477.22943	2.2
487.25067	0.6
488.18311	0.6
489.22498	1.9
490.20093	2.0
491.24597	1.6
499.21344	0.8
501.22736	2.3
503.20456	6.7
505.22229	1.2
517.22205	4.6
518.23035	5.5
530.23846	0.7
531.23621	0.9
533.25629	2.9
535.23328	3.0
545.25922	3.0
546.25964	1.8
549.25177	0.8
563.22894	17.6
573.24554	1.2
577.27350	1.8
578.25079	6.9
605.27686	15.3
606.27185	0.9
637.30255	100.0
638.29181	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	637.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02645	0.5
56.65321	0.3
69.21056	0.3
91.79659	0.4
96.70260	0.3
102.72562	0.4
109.09962	0.3
110.68629	0.4
112.49561	0.3
119.36202	0.3
120.33001	0.4
130.25003	0.3
160.34099	0.3
185.72852	0.4
277.20618	0.4
310.13571	0.3
325.90173	0.4
339.14221	0.4
354.03036	0.4
354.50119	0.4
377.17633	0.6
386.15277	0.5
388.17715	0.6
389.18091	0.7
390.18805	0.7
391.19153	1.3
391.93188	0.4
392.19843	1.2
399.16074	0.9
400.16910	1.5
401.17453	1.2
402.18903	1.0
403.19586	0.8
404.20514	0.9
405.20786	3.7
406.21539	3.8
412.17612	0.5
413.17422	1.4
414.18588	2.7
415.19131	4.1
416.20694	0.7
417.20886	1.3
418.22000	0.6
419.22891	2.0
420.22977	3.9
421.23880	8.4
427.19379	1.5
428.19995	2.1
429.20935	9.5
430.21951	2.4
431.18112	0.7
431.22977	0.9
433.19141	1.9
433.24731	0.8
434.24765	1.1
441.21582	0.4
442.21454	1.2
443.22595	5.5
444.23483	3.7
445.19800	3.1
446.20929	1.0
447.17191	2.3
456.19440	1.2
457.19193	1.0
457.23792	3.1
458.24915	5.6
459.21844	7.5
460.22662	3.6
461.19342	5.5
462.20300	0.5
470.21231	0.8
471.21634	1.3
472.22641	5.8
473.19629	2.0
473.24442	0.6
475.20605	2.0
476.21930	4.8
477.26511	0.7
484.19305	0.6
485.23529	11.6
486.20224	2.0
486.24442	1.9
487.21231	1.2
488.22067	3.9
489.22488	0.8
490.24127	0.6
492.24857	0.4
499.21249	1.3
500.22165	2.1
502.23776	1.1
503.24460	15.8
505.22318	1.1
507.27414	0.6
513.22870	2.9
514.23438	1.8
517.26019	7.0
518.23633	0.5
529.25830	1.8
530.23370	0.4
531.23932	0.5
535.27124	21.2
536.27301	0.6
545.25482	68.1
546.26282	1.6
547.27545	0.4
563.26569	4.5
573.24963	16.9
574.26050	0.4
577.28156	1.3
578.28363	0.5
605.27612	66.5
606.27856	1.4
637.30225	100.0
638.30695	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	12.6
55.01859	12.4
55.05511	31.8
56.46365	2.9
57.03446	18.8
59.05009	3.3
60.40145	3.1
61.02922	4.6
65.03934	4.6
67.05183	3.9
67.05511	53.1
68.05831	3.3
69.03434	24.0
69.07056	14.1
69.79705	9.5
69.80116	8.1
70.46420	3.0
71.01373	2.9
71.04992	10.7
79.05500	48.9
81.03425	100.0
81.07056	57.1
83.04984	25.1
83.08631	26.0
85.02904	24.7
85.06561	4.9
91.05485	59.1
93.07059	50.3
95.04982	39.5
95.08601	20.4
97.02893	22.4
97.06503	10.4
97.10155	12.4
98.21430	4.9
99.04439	13.1
103.03924	3.4
103.05461	4.6
105.04501	5.1
105.07047	30.9
107.04981	17.3
107.08595	30.1
109.02879	28.2
109.06497	7.5
109.10169	23.3
111.04434	17.6
111.08064	8.6
115.05406	4.3
117.07021	14.8
119.04912	7.1
119.08581	23.9
121.02898	3.2
121.06495	12.9
121.10146	19.5
123.04418	9.7
123.08054	10.1
123.11669	5.6
125.09592	10.6
127.03913	20.3
129.06987	11.3
131.08586	17.1
133.06508	8.7
133.10124	23.6
135.08054	7.6
135.11665	12.4
137.05968	4.3
141.90076	3.2
142.07787	4.3
145.06497	9.5
145.10112	13.5
147.04408	12.2
147.08035	9.9
147.11687	14.9
149.06003	7.3
149.09610	7.8
151.11189	10.4
153.12727	6.5
155.08549	4.1
157.10106	9.5
159.08072	5.2
159.11716	5.0
161.05963	7.6
161.09647	5.4
163.11192	20.8
165.12793	7.0
171.08029	5.7
173.04422	9.7
173.05841	3.5
173.09645	6.0
175.11157	9.6
177.26901	3.2
185.09641	3.7
187.07446	5.1
189.09077	12.4
189.11076	7.5
191.10646	9.9
193.12227	29.1
199.11038	3.7
205.12198	7.4
209.11673	7.2
211.13326	32.6
212.13809	3.4
213.12608	3.3
227.12813	13.8
229.14331	5.8
231.13737	3.4
253.14244	3.3
263.65347	3.2
267.15897	12.8
273.14804	9.0
283.15454	11.0
289.14401	7.5
296.89133	3.5
301.14267	4.9
355.17609	6.3
355.22702	5.3
383.22177	17.4
401.23096	11.0
411.19803	4.2
419.24265	4.3
440.27405	15.5
457.25931	47.2
475.20157	5.9
475.26938	94.6
493.27841	8.8
517.27905	5.8
520.66547	3.7
541.27887	3.5
583.28436	5.0
601.29364	7.3
619.30652	15.9
634.50610	3.8
637.32111	77.7
653.83118	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	637.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	10.5
55.01877	11.3
55.05272	1.9
55.05515	25.9
57.03442	9.9
59.04992	1.6
61.02945	1.7
61.87061	1.2
65.03947	2.7
66.92953	1.0
67.05184	2.4
67.05515	29.2
69.03437	19.3
69.06743	1.3
69.07062	7.8
71.01333	1.5
71.05002	7.7
71.52818	1.7
73.02896	1.8
79.05497	34.8
79.68605	1.2
81.03424	100.0
81.07063	29.9
83.01345	4.6
83.04992	23.4
83.08627	19.3
85.02918	18.4
85.06524	2.8
86.94212	1.0
87.04442	1.3
91.05492	35.7
93.07053	29.6
95.04974	26.9
95.08620	13.1
97.02898	18.0
97.06545	6.8
97.10162	8.1
99.04459	8.3
99.08079	1.5
103.03934	1.5
103.05473	1.8
105.04574	2.0
105.07045	20.1
107.04964	14.5
107.08607	18.5
109.02892	19.9
109.06528	6.0
109.10156	9.9
111.04445	18.1
111.08080	10.2
115.05473	3.1
117.03319	1.2
117.07034	10.3
119.04945	2.3
119.08593	20.0
121.06506	6.0
121.10148	11.4
123.04490	2.2
123.08099	7.5
123.11719	1.7
125.05950	1.6
125.09663	7.7
127.03913	12.7
129.05499	1.6
129.07011	8.7
130.07761	1.9
131.04903	1.3
131.08603	11.3
133.06512	3.6
133.10123	9.1
135.04422	2.1
135.08095	4.0
135.11710	12.5
137.06032	3.6
137.09625	2.4
140.32884	1.3
142.07671	1.8
143.08600	3.2
144.05687	1.2
145.06549	2.5
145.10138	11.8
147.04419	2.3
147.08061	3.8
147.11717	10.0
149.06064	1.7
149.09608	7.1
153.12772	9.5
155.08588	3.6
157.10167	9.6
159.08122	1.3
159.11688	2.1
161.05991	1.7
161.09641	1.6
161.13281	1.4
163.04018	1.6
163.11185	21.6
165.12816	3.0
169.06532	1.5
173.04483	4.1
173.09671	4.0
175.11211	8.8
181.12257	8.9
189.09177	1.6
189.11287	2.9
191.10686	5.4
193.12262	30.3
194.12592	1.3
209.10092	1.4
209.11720	7.9
211.13309	44.4
213.12779	1.3
217.00677	1.5
217.12286	1.2
223.13622	1.6
227.12790	19.4
229.14438	2.7
231.13940	1.2
235.13388	1.3
249.15057	1.5
259.13168	1.4
265.14456	3.7
267.16031	10.7
271.13419	1.5
273.14703	3.3
277.14395	1.9
283.15448	12.6
285.17041	4.6
289.14438	1.9
301.14352	2.4
303.15869	1.3
309.17197	1.8
335.14926	1.3
337.16541	3.6
353.16003	4.4
355.17551	7.3
365.21231	1.7
383.22244	5.0
401.23297	2.1
409.18701	2.0
411.20218	5.5
427.19681	2.2
440.27454	4.0
447.27612	1.8
457.25742	7.5
475.26941	20.6
493.27963	16.0
517.27728	1.7
583.28259	1.6
601.30267	2.6
619.31030	14.0
637.32220	84.6
638.32404	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	638.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01869	1.5
55.05510	3.1
56.19287	0.4
57.03452	0.6
57.07085	0.6
58.26897	0.5
59.05011	0.5
61.02925	0.5
65.03941	0.6
67.05512	3.7
69.03432	3.9
69.07074	6.8
71.04977	0.7
79.05506	4.8
80.05013	0.6
80.30920	0.5
81.03424	5.9
81.07070	5.5
82.07385	0.5
83.04975	2.1
83.08636	1.3
85.02907	5.8
86.09727	1.1
87.00837	1.6
91.05475	3.3
93.07044	7.4
94.06561	1.9
94.07404	0.4
95.04987	2.5
95.08616	6.7
97.02892	2.0
97.06544	2.0
97.10178	7.1
97.93365	0.5
99.04443	1.6
103.05479	2.4
105.01872	1.7
105.07031	2.2
107.04936	0.6
107.08611	4.7
108.08139	3.4
109.02886	2.4
109.06509	1.2
109.10167	3.5
111.04443	0.5
111.08087	0.5
111.11736	2.1
111.84841	0.5
118.06542	0.9
119.08577	2.4
120.04485	2.7
120.08121	11.1
121.06540	1.0
121.10155	5.3
122.06031	6.7
122.09668	1.5
123.04496	0.6
123.08092	0.7
123.11726	1.5
127.03913	3.6
129.07013	0.5
131.08556	0.7
133.06546	0.6
133.10152	2.6
135.08047	1.3
135.11694	3.1
136.07570	5.0
137.09628	1.8
138.05498	0.5
138.09158	0.6
139.11217	4.6
145.04982	1.2
145.10139	1.8
146.06046	2.1
147.08022	0.7
147.11748	0.8
148.00885	0.5
148.07582	18.5
149.09659	1.5
149.13278	0.9
150.09177	1.9
151.11214	1.4
152.07089	1.3
153.12721	0.6
157.10155	0.9
157.12222	3.1
159.02939	0.7
159.11731	1.4
160.07660	0.6
161.09674	1.2
163.03850	0.5
163.11240	1.8
164.07088	1.7
165.09189	1.2
166.08672	1.9
167.07214	0.5
167.10699	0.5
172.03979	0.8
173.13217	0.4
175.11229	0.6
176.10651	0.5
179.10732	1.4
180.10233	1.8
184.07451	1.2
184.09865	0.6
190.05058	1.3
191.10666	0.6
194.08272	0.6
197.10783	0.7
203.12837	1.3
206.08266	0.5
208.09796	1.0
209.10779	0.6
210.11624	0.6
212.09439	1.1
213.10272	0.7
213.16356	0.5
221.10794	0.6
223.08644	1.0
223.12366	1.4
224.09480	1.2
225.10234	3.5
226.10919	0.5
227.11848	1.3
233.10864	0.8
235.08682	2.1
235.12228	0.6
236.09427	1.9
237.10243	9.5
237.14195	0.5
238.11043	1.8
239.08217	1.8
239.11787	3.5
247.08727	0.9
248.09474	1.7
248.40504	0.5
249.10234	7.1
250.11009	2.5
251.08076	3.2
251.11768	6.8
252.08855	1.3
252.12714	1.4
253.09814	4.9
253.12502	0.6
253.13367	0.5
254.10524	0.6
255.11250	3.9
261.10294	4.7
262.11072	1.5
263.08777	0.8
263.11798	7.9
264.08975	0.6
265.06989	0.4
265.09732	10.1
266.10535	1.9
267.11346	7.6
268.12225	0.5
269.09195	1.1
269.12906	1.0
271.10843	1.7
273.22250	0.9
275.08231	0.6
275.20093	0.8
276.08945	1.5
277.09799	2.4
277.13318	0.6
278.07605	0.7
278.10486	4.4
279.07800	2.5
279.11340	12.6
279.14407	0.7
279.23230	1.2
280.12201	1.5
281.09464	2.4
281.12372	2.2
282.10059	0.9
283.10776	6.8
283.13800	0.7
289.09732	8.9
290.10501	0.6
291.11230	6.7
291.23199	4.1
293.09277	2.7
293.12885	3.8
293.21152	6.7
294.10037	4.2
294.13278	0.8
295.10803	6.4
295.14063	0.6
296.11459	2.3
297.09000	0.6
297.12411	1.4
299.10410	1.8
301.21603	3.2
303.11426	0.5
305.09381	0.7
305.12772	1.0
306.09836	1.0
307.10800	4.0
307.22742	0.7
308.11584	1.6
309.12323	3.3
311.10294	8.0
311.13965	2.3
312.10962	2.9
313.12006	1.9
314.12753	1.4
317.09277	1.5
319.10825	0.6
319.22699	10.0
321.08865	0.8
321.12372	1.3
323.10388	1.4
323.14023	2.8
324.11145	2.0
325.11887	2.3
325.15671	0.5
325.23889	2.0
326.12640	5.0
327.13397	5.4
330.16138	0.7
331.17068	0.5
333.12286	1.0
335.10254	12.5
336.11093	0.7
337.11810	1.5
337.23737	11.0
337.27621	0.8
339.13412	44.9
340.10641	4.1
340.14301	1.0
342.16016	0.8
344.13745	0.6
349.12009	1.0
351.13480	1.7
352.10535	1.6
353.11420	0.8
354.12146	6.4
354.16092	1.2
355.12900	12.8
355.24622	2.4
356.13696	0.7
367.12927	26.9
368.13617	1.0
373.25793	0.7
381.14597	0.8
383.16293	0.7
390.18112	0.8
395.12592	0.6
398.18680	0.5
400.16702	0.6
414.18112	1.2
442.17682	1.1
459.17960	0.8
460.19305	0.6
461.19528	0.6
470.17419	2.4
474.20285	2.1
475.27078	0.5
476.27319	1.5
486.20135	2.2
488.17911	0.7
502.19769	3.4
508.17865	0.6
520.20880	4.5
521.21631	1.5
530.19232	9.7
534.22589	3.0
546.18030	0.6
547.19373	0.6
562.21899	30.6
574.18274	15.3
578.21436	4.2
588.19873	1.4
606.20874	100.0
607.20953	1.6
624.21539	0.6
638.23022	1.0
638.32703	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	638.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.2
55.01860	8.1
55.05514	26.3
56.05040	2.4
57.03421	8.7
57.07079	2.3
61.02930	3.7
67.05511	23.0
68.43106	2.2
69.03134	2.5
69.03433	25.7
69.07069	54.7
69.19046	17.1
69.19464	4.9
70.06589	10.0
71.05003	10.8
72.08180	2.4
73.02904	4.1
79.05493	22.4
81.03424	28.6
81.07063	57.9
82.07426	2.3
83.04971	10.8
83.08629	11.4
84.08199	2.3
85.02908	55.1
85.06538	2.9
86.09711	6.8
87.00839	20.0
87.04421	3.1
91.05483	19.9
92.05798	2.7
93.07047	61.5
95.04986	13.2
95.08058	3.7
95.08614	44.3
97.02911	26.0
97.06535	12.5
97.10174	49.3
98.21638	3.5
99.04461	10.5
99.08075	2.9
104.05331	5.4
105.01857	14.1
105.07048	23.9
107.04981	6.0
107.08601	43.2
109.02883	21.4
109.06538	11.3
109.10161	34.8
111.08076	7.0
111.11736	12.2
115.05471	2.3
117.01852	2.7
117.07021	6.4
119.04934	3.2
119.08591	25.6
120.08069	3.2
121.06512	6.4
121.10145	59.7
122.06021	2.3
123.04457	2.9
123.08049	6.2
123.11706	20.3
125.09623	10.0
127.03934	32.6
127.11166	5.4
131.04977	2.7
131.08585	11.5
133.06442	3.1
133.10114	20.0
135.08076	12.3
135.11693	35.7
136.07547	3.3
137.06039	2.6
137.09601	11.5
137.13242	2.6
139.07680	2.5
139.11176	35.2
142.29552	2.2
143.08566	6.3
143.10652	3.4
145.04927	9.7
145.10118	24.2
147.04350	3.8
147.08061	6.2
147.11690	10.5
148.07532	3.0
149.09604	15.2
149.13239	6.3
151.11198	11.2
153.12738	7.6
155.10754	3.4
157.10147	5.8
157.12230	17.7
159.02910	8.8
159.11679	11.7
161.09650	7.4
161.13263	5.0
163.03893	5.6
163.11201	16.4
163.14830	2.5
165.09062	3.7
165.12787	4.0
167.10703	9.0
169.12241	2.2
171.11644	5.4
171.13828	2.8
173.09560	3.4
173.13202	5.7
175.11179	5.9
175.14812	3.1
177.12808	4.1
179.10606	6.1
179.14296	2.1
181.12218	7.5
184.07332	9.4
185.13239	5.9
187.14821	3.7
193.12303	5.2
195.13875	3.0
199.13251	2.5
199.14890	5.5
202.07381	2.2
203.12775	8.4
209.15486	3.3
213.03896	4.7
215.17958	4.0
219.17500	2.7
221.15262	2.5
230.98039	2.2
231.04997	4.9
237.14830	3.1
249.10182	2.3
255.21028	4.7
265.09744	3.8
267.15738	3.4
270.06754	2.0
273.22141	16.9
275.20047	9.8
283.20651	6.8
291.23206	34.8
293.21140	59.9
293.24353	2.7
301.21674	39.4
307.22504	5.3
311.10214	2.9
311.22406	2.6
319.22708	83.8
320.23013	3.5
325.23694	9.6
329.46909	2.1
337.23749	100.0
339.13474	11.5
355.24771	17.9
367.12665	2.8
373.26074	11.9
445.25943	3.4
457.25540	2.6
458.26190	3.4
463.26993	4.6
476.27338	13.4
549.26917	6.1
562.21417	4.9
567.27850	5.0
594.24445	16.8
606.20215	3.0
628.83990	2.5
638.23199	22.9
638.32892	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	639.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23101	1.3
55.01880	1.4
55.05494	3.9
64.27389	1.6
67.05506	8.4
69.07063	4.1
71.53521	1.8
73.67492	1.5
79.05476	4.8
81.03397	2.1
81.07076	8.4
83.04979	2.3
83.08630	2.2
87.49823	1.2
91.05483	6.6
93.07033	6.0
95.04980	3.3
95.08624	6.7
97.10208	1.9
105.07040	3.7
107.04956	4.9
107.08595	3.7
109.10168	3.2
117.07024	1.6
119.08584	3.4
121.10091	2.0
128.89333	1.2
131.08545	3.5
133.10095	2.3
135.08022	1.8
135.11687	1.7
143.08641	2.3
145.10155	2.3
147.11670	1.8
149.09587	3.8
151.11163	2.5
204.10240	2.8
211.12386	2.4
221.10725	1.7
225.13922	2.2
237.14055	2.6
273.18500	1.6
275.20096	3.2
291.19632	8.7
292.20465	1.3
293.21115	5.9
310.13705	1.6
340.14685	2.1
376.17044	1.4
377.17615	1.7
389.17908	2.4
391.19089	5.9
392.20056	1.8
393.20850	2.7
398.89435	1.5
403.19540	2.2
405.21088	6.8
407.22235	4.6
414.18164	1.7
429.17053	2.0
431.18552	4.5
433.19766	2.3
435.21829	4.7
437.19977	3.3
438.21136	1.8
445.20490	2.1
446.21182	2.6
447.21677	4.2
448.22705	2.5
449.19870	3.2
451.21240	4.2
457.15472	1.5
459.22665	1.9
461.23862	1.9
465.18771	14.6
466.20071	3.8
473.24210	6.8
474.20230	3.0
475.21033	2.0
477.19238	2.3
479.19809	8.4
480.21613	3.3
487.21408	3.1
488.22333	2.1
489.22852	4.3
501.22629	4.9
503.24359	3.2
505.19241	1.8
506.18927	1.9
507.24045	16.5
515.20984	3.3
517.22357	16.5
518.22906	1.9
519.19989	2.2
523.23920	2.5
531.23712	2.9
535.23523	10.5
537.21552	6.0
547.23120	6.1
548.23755	2.1
551.22986	5.9
552.23816	16.0
561.21423	2.5
565.24194	3.6
569.27826	2.1
575.23181	11.0
579.21973	10.9
580.22534	2.1
595.25745	7.5
597.27106	15.0
607.25537	85.1
621.23553	21.6
621.40656	2.1
622.24512	1.5
639.24506	100.0
639.40314	10.5
640.24805	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
70.91048	0.6
70.91361	0.8
73.01380	0.4
115.40075	0.5
139.39047	0.5
162.11888	0.5
175.50273	0.5
224.58405	0.5
237.13947	0.5
281.12872	0.8
301.15887	0.5
313.15665	0.5
326.16614	0.7
371.15872	0.5
372.16779	0.6
388.20175	0.9
389.17654	1.9
390.18457	1.0
391.19205	1.9
400.19885	0.6
402.18735	0.6
403.19470	3.4
404.20126	3.8
405.20776	10.7
406.21970	0.6
417.20743	1.4
418.21414	1.6
419.22421	9.7
420.23120	3.9
421.24023	1.1
431.17978	1.0
431.22983	0.9
432.23499	0.9
433.24146	5.1
434.17529	0.7
434.24677	3.7
435.18127	1.8
445.20187	1.6
447.21448	4.0
448.19128	1.0
449.19714	7.2
450.20505	3.2
452.22083	0.6
459.22073	0.9
460.22699	0.8
462.20789	0.8
463.21344	8.0
464.22238	5.5
465.22897	9.1
472.18765	1.1
473.19666	0.8
475.20047	2.3
477.22873	5.0
478.23621	5.7
479.24469	29.4
480.25040	1.9
487.21194	3.5
488.22009	1.7
491.20718	2.9
491.25403	1.4
492.25195	3.7
493.26010	22.5
501.22910	1.9
502.23636	1.7
503.24689	2.4
505.22385	1.7
508.21606	0.7
519.24097	3.4
520.24530	1.1
521.21832	0.9
522.22443	1.4
523.23431	12.3
524.24396	1.6
525.24841	0.6
536.24219	0.6
537.25000	34.7
538.25385	1.1
547.23444	6.7
549.21301	1.5
551.26563	19.9
552.27319	72.1
553.27838	1.2
564.23236	0.5
579.26001	8.2
580.26947	0.7
607.25616	11.4
611.28687	0.8
632.33820	0.5
639.28149	100.0
640.28442	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
59.48623	0.3
60.58051	0.3
61.61066	0.3
67.05457	0.4
69.06993	0.3
69.66438	1.9
73.67081	0.3
81.06995	0.4
93.06999	0.3
94.93790	0.3
95.08531	0.5
98.43287	0.3
106.66664	0.3
107.08469	0.3
108.42970	0.3
119.63686	0.3
197.10751	0.4
221.10789	0.3
237.13867	0.4
251.11754	0.4
251.15323	0.3
375.16302	0.5
376.16888	0.5
377.17630	0.8
378.19315	0.3
389.18417	0.9
390.18362	1.3
391.19177	3.3
392.19839	1.1
393.21768	0.6
403.19516	0.5
404.20453	1.2
405.20792	7.7
406.21561	3.3
407.22275	0.3
417.21112	0.5
418.21814	0.4
419.17435	0.4
419.22925	2.4
420.23111	3.8
421.24060	3.8
431.18536	0.7
433.19604	3.4
434.25076	1.5
435.18054	1.1
436.19025	1.8
445.20825	0.8
447.21136	1.5
448.22583	0.9
449.19705	2.4
450.20432	2.0
451.21375	1.2
452.22076	2.7
458.21497	0.5
460.22873	1.4
461.23499	0.4
463.21539	1.2
464.22095	1.1
465.22882	31.8
466.23215	1.1
473.19592	1.4
474.20270	0.5
475.25009	1.4
477.18951	0.6
477.26315	1.9
478.23666	1.1
479.24408	5.9
480.25272	3.4
485.19855	0.4
487.21167	1.5
488.22247	2.2
491.19687	1.6
492.21298	3.4
493.26105	3.2
500.21814	0.6
501.22803	0.6
502.23410	0.9
503.24478	20.1
504.24615	1.1
505.22397	1.1
506.23141	0.5
517.22601	0.3
519.23999	1.2
521.25598	12.6
523.23450	0.5
537.25122	5.7
547.23450	1.7
552.27893	0.4
565.24469	42.4
566.24683	1.0
579.25934	1.0
580.26801	12.6
607.25568	11.8
608.26392	0.4
621.27002	2.7
639.28131	100.0
640.28302	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	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.7
67.05505	0.8
68.02762	0.5
68.49281	0.5
71.53835	0.7
71.81416	0.5
75.35625	0.5
78.38355	0.6
80.87939	0.6
81.07064	0.8
90.36008	0.5
91.05444	0.6
93.07003	0.6
107.08579	0.7
109.10168	1.1
119.08559	0.6
135.11723	0.6
342.51111	0.5
393.20840	1.2
405.20856	2.0
407.22653	1.1
419.22565	0.7
420.23187	1.2
421.19952	3.0
433.16635	1.5
433.23996	1.0
434.17389	0.6
435.17603	7.0
436.22647	8.6
437.23535	1.0
446.20883	0.7
447.21759	1.8
448.19119	1.7
449.19333	10.8
450.24258	0.8
452.22235	0.9
460.22681	1.0
462.20599	1.9
463.21225	3.6
464.22110	1.8
465.22827	1.1
475.20270	3.2
476.22003	1.6
477.22995	3.5
491.24286	1.2
492.21454	16.9
493.26569	1.5
501.22443	1.1
503.24176	1.9
508.21179	1.6
509.25580	5.0
519.23730	2.2
521.25146	3.1
531.23840	2.1
537.24994	34.1
547.23334	1.7
565.24445	25.0
575.22852	2.4
580.26752	3.7
607.25201	0.8
611.28558	0.7
639.28131	100.0
640.28162	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	639.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04724	0.4
55.05503	0.5
60.63871	0.5
67.05491	1.2
79.05490	0.5
79.77669	0.4
81.07066	0.8
83.08639	0.5
85.01385	0.4
91.05479	0.5
95.08574	0.5
98.20721	0.9
104.34474	0.4
117.72852	0.4
119.08604	0.7
132.15578	0.5
133.10057	0.5
143.45404	0.4
183.52783	0.4
197.10811	0.6
209.10834	0.8
221.10799	0.5
223.12361	0.5
253.13466	0.4
293.12903	0.4
340.18335	0.6
342.19766	0.5
375.16077	0.9
377.17770	1.3
378.18854	0.9
390.18460	1.5
391.19150	4.1
392.19809	2.9
393.21011	1.4
400.20236	0.6
403.19476	1.2
404.20035	1.6
405.20676	6.7
406.21475	4.7
407.22311	10.1
417.21024	1.3
418.21896	0.8
419.22382	3.1
420.23370	3.9
421.23947	16.7
422.17520	0.7
422.24683	3.6
433.24432	3.5
434.18533	0.7
434.24866	2.3
435.18271	1.8
435.25345	0.9
436.18936	1.0
445.20395	1.2
447.21320	1.0
447.26315	0.8
448.26450	0.7
449.19727	1.8
450.20630	1.7
451.21121	10.5
452.22073	2.9
461.23306	1.6
463.21289	2.5
464.22141	1.2
465.22919	17.3
466.23569	1.9
472.19128	0.5
473.19507	1.0
475.20822	1.3
475.25812	1.1
477.22687	0.6
477.27673	0.5
478.23697	1.6
479.24396	1.2
487.21344	2.3
488.22375	1.5
489.23294	0.7
491.20276	1.0
491.25287	0.6
492.21841	1.8
493.25897	1.7
501.22754	2.2
502.23566	0.9
503.24521	11.9
504.25116	1.0
505.22519	1.3
507.27649	10.9
508.28354	2.8
509.25427	0.5
519.23846	1.3
521.26074	0.6
523.23303	3.3
533.26019	1.0
535.27087	15.0
537.25012	11.5
547.23291	0.6
551.26544	4.6
552.27399	14.2
561.24829	4.2
562.26318	0.9
565.23877	1.1
579.26001	6.7
580.26971	1.9
593.27466	1.2
595.29156	5.5
621.27087	14.8
639.28137	100.0
640.28613	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	639.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05606	0.4
67.05370	0.6
67.05666	0.5
79.05315	0.8
79.05718	0.6
81.06892	0.8
91.05310	0.4
93.06876	0.5
95.04807	0.5
95.08450	0.7
95.08983	0.5
98.21536	0.9
105.06820	0.4
109.06365	0.5
118.55125	0.4
121.09959	0.4
131.08371	0.6
139.26552	0.4
149.09447	0.5
168.55260	0.4
210.08942	0.6
221.10477	0.5
222.11273	0.5
223.12022	1.7
224.12886	0.9
225.13658	0.7
235.12117	0.6
237.13652	1.2
238.14635	3.9
242.72485	0.4
249.13588	0.4
251.15030	0.7
261.13663	0.5
273.13916	0.5
350.16290	0.5
380.20679	0.5
387.15854	0.5
388.17554	0.5
389.17566	1.4
390.18420	1.1
391.19266	2.2
401.17505	0.9
402.18524	0.6
403.19473	1.9
404.19830	1.1
405.20889	3.7
406.21332	0.8
415.19339	1.1
416.20203	0.9
417.16437	0.8
417.20609	1.6
418.21573	0.8
419.22079	1.5
420.22836	1.3
421.23779	1.2
429.16919	1.3
430.17133	0.6
430.21979	0.7
431.18060	2.3
432.19003	0.8
433.20007	2.3
435.17947	0.5
443.18430	0.8
444.19662	0.9
445.19858	2.8
446.20987	2.3
447.21576	0.5
448.22473	0.9
449.19543	1.8
450.20633	0.9
451.21423	0.7
452.22015	0.7
456.15848	0.6
458.20798	1.2
459.21692	1.7
460.22797	3.4
461.23846	2.6
464.22034	0.7
465.22968	7.8
471.17883	0.4
472.18558	0.9
473.23853	13.3
474.20276	1.4
474.24802	0.5
475.24728	2.1
476.22232	0.6
479.24698	5.1
480.24994	0.9
485.23425	0.6
486.20941	0.6
487.21359	2.1
488.22052	3.6
489.22626	1.6
490.20114	0.4
492.21460	1.1
501.23013	9.0
502.19354	0.8
502.20761	0.9
503.24561	10.8
505.22232	1.2
506.22775	0.7
507.23953	16.5
508.23975	0.7
513.22906	0.7
516.21393	0.5
519.24335	2.9
520.24347	1.2
521.25732	4.0
529.22662	2.1
531.23975	7.2
533.21790	1.5
537.25140	1.9
547.23547	6.0
548.24200	3.6
557.21930	1.4
565.24426	12.9
575.22937	17.3
576.23682	1.0
579.26544	1.9
580.26770	3.5
589.24597	1.0
597.27264	2.2
607.25568	100.0
608.25397	2.3
639.28198	39.3
639.39673	2.2
640.28339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31714	0.3
55.05508	0.7
65.54936	0.2
67.05505	0.8
69.07077	0.4
70.02776	1.2
71.08616	0.3
71.94405	0.3
79.05482	1.1
81.07063	0.7
91.05482	0.7
93.07057	0.8
95.04996	0.4
95.08604	0.8
97.06541	0.3
98.20798	0.4
102.16778	0.3
105.07047	0.5
106.06617	0.3
107.00522	0.3
107.08610	0.7
109.10178	0.5
117.07032	0.4
117.11893	0.3
118.06546	0.7
119.08613	0.7
120.08096	0.9
132.08067	0.3
134.06049	1.1
134.97144	0.3
138.05518	0.5
144.08142	0.3
146.05998	0.4
147.11688	0.5
162.05508	0.4
164.07182	0.3
167.10725	0.3
172.03946	0.7
180.06619	0.5
183.09164	0.4
195.09138	0.7
196.09938	0.7
197.10808	0.9
204.06586	1.2
207.09177	0.6
208.10004	1.2
209.10803	1.7
210.11467	1.6
211.12341	1.1
212.13126	0.5
221.10768	1.0
222.11533	0.7
223.08826	0.6
223.12273	1.7
224.13075	0.8
225.10359	0.8
225.13892	3.5
226.14763	0.9
232.65141	0.4
233.10777	0.7
234.11435	0.4
235.08749	0.9
235.12373	1.0
236.09503	0.5
237.10318	1.4
237.13850	2.6
238.14789	0.5
239.15477	1.3
247.08739	0.4
247.12419	0.8
248.09601	0.4
248.13124	0.3
249.10274	2.6
249.13931	1.1
251.08168	1.1
251.11801	1.5
253.13377	0.4
259.12360	0.3
263.08041	0.4
263.11948	0.4
265.09836	0.7
265.13412	0.9
269.12955	1.2
269.15784	0.3
270.13776	0.5
273.13904	0.6
274.14807	0.5
275.15454	0.5
275.20084	0.5
276.16217	0.3
277.09775	1.2
279.11246	0.7
281.09546	0.4
281.13107	0.4
282.10178	0.4
283.14426	0.4
293.09436	0.4
293.12936	0.5
293.21109	0.5
295.10770	0.4
300.11499	0.3
300.15121	0.3
302.13721	0.3
309.12442	0.6
314.13034	0.9
316.14575	0.6
319.14761	0.3
323.10544	0.6
323.14011	0.4
324.11349	0.5
325.11960	0.5
326.12924	0.5
328.14389	0.4
337.11911	1.2
338.12921	1.9
339.13818	0.9
340.10806	0.3
340.14661	0.7
342.16257	0.6
350.12857	0.5
351.13867	0.5
352.14447	0.9
353.15652	0.4
354.16104	0.5
356.17801	0.5
364.14597	0.4
366.16177	0.9
367.13449	0.5
368.13821	0.7
368.17700	1.2
375.15503	0.3
380.13840	0.4
381.10974	0.6
382.11349	0.6
382.15701	0.7
388.17175	0.6
389.17767	0.8
394.15668	0.7
396.13235	0.7
399.16562	0.4
401.18094	0.5
402.14438	0.6
402.19302	0.5
403.15253	0.5
403.19812	0.6
412.16519	0.9
415.15677	1.1
416.16394	1.2
417.16492	2.1
418.17621	0.4
424.12787	0.6
426.17807	0.8
428.16724	0.7
429.17236	1.7
430.18262	0.9
431.18365	3.2
432.19754	1.0
433.20193	0.7
440.16141	0.4
442.19110	0.4
443.19250	1.7
444.19809	0.9
445.20566	3.1
446.21222	2.4
447.21860	4.0
454.17593	1.8
457.20654	0.6
458.21555	0.4
459.22824	1.8
460.22717	0.5
461.24048	0.7
471.17969	0.7
472.18677	1.6
473.19333	1.4
473.24255	0.9
474.20410	2.4
475.21066	3.2
487.21692	3.2
488.21780	0.7
489.22824	0.7
491.20673	0.6
500.18225	0.5
501.23297	2.2
502.19943	0.7
503.24286	1.3
505.22229	1.3
506.22922	0.8
515.20959	1.4
519.24359	2.9
529.22174	1.4
531.24109	0.4
532.21124	1.1
534.22583	1.3
537.21381	0.6
547.23419	17.9
548.24207	0.6
557.22034	0.4
561.24994	4.9
575.22852	3.4
579.25983	0.7
589.24622	1.3
607.25525	100.0
608.25916	3.2
621.26953	7.4
639.27539	1.8
639.39972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03445	0.4
55.05505	1.1
57.03425	0.4
67.05496	1.5
69.07059	0.7
69.30035	3.6
74.72635	0.3
79.05498	1.6
81.07053	1.8
83.04989	0.4
91.05475	1.4
93.07027	1.5
95.04981	0.9
95.08601	1.2
98.99832	0.4
105.07025	1.0
107.08583	1.3
109.06563	0.7
109.10152	0.7
117.07006	0.6
119.08576	0.7
121.10146	0.8
122.09658	0.4
126.35064	0.4
129.07011	0.5
131.08578	0.9
133.10132	0.7
133.67360	0.4
135.08121	0.4
143.34023	0.4
149.09564	0.4
159.11693	0.6
163.11185	0.4
180.34090	0.4
182.09845	0.4
199.46010	0.4
204.10246	1.2
205.10507	0.8
208.33324	0.4
221.10699	0.6
223.12303	1.7
224.13153	0.7
225.13940	0.8
233.10719	0.8
235.08748	0.4
237.13911	1.2
238.14713	4.6
247.08737	0.5
247.12344	0.5
249.13916	0.8
251.15443	1.0
273.18579	0.6
275.20081	1.0
276.20465	0.4
291.19504	1.1
293.21313	0.7
294.21283	0.6
300.80612	0.4
317.34927	0.4
324.14621	0.4
376.16953	0.8
389.17667	0.9
390.18634	0.7
391.19159	1.7
401.17776	0.6
403.19284	2.2
405.20786	1.5
415.19327	1.1
416.20386	1.0
417.21454	2.3
418.21829	0.7
419.18079	0.6
420.23123	0.8
424.19919	0.5
429.16504	1.0
429.21490	0.5
430.22006	0.9
431.18375	2.9
432.19327	1.4
433.20309	1.3
435.17987	0.4
443.18695	1.2
444.19543	1.1
445.19641	2.7
446.21304	2.4
447.21445	0.9
449.19620	1.0
457.16208	0.6
458.20859	1.4
459.21753	1.5
460.22925	2.4
461.23599	2.3
464.22256	1.4
473.23724	14.5
474.19937	1.9
475.24741	2.0
477.22778	0.5
479.24533	3.5
485.23917	0.7
486.21106	1.0
487.21259	1.6
488.22128	2.7
489.23096	2.8
501.22928	7.9
502.19772	0.9
503.24615	4.6
504.21893	0.6
505.21970	1.3
506.22519	0.6
507.23981	18.2
508.24509	0.8
515.20605	0.8
516.21436	0.5
519.24646	1.9
520.24310	1.5
529.21881	2.1
531.24054	7.2
533.21594	0.9
547.23407	4.4
548.24286	3.7
557.21796	1.8
563.26520	1.2
565.24249	1.4
575.22894	17.1
579.25684	1.3
589.24109	1.6
597.27081	3.3
607.25543	100.0
608.25934	3.1
621.27112	0.7
621.41425	1.3
639.28162	14.1
639.40936	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	639.2815
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.05509	0.8
56.94415	0.3
67.04556	0.3
67.05508	1.2
69.07074	0.5
71.53668	0.4
79.05492	0.7
81.03443	0.4
81.07050	1.0
91.05506	1.1
93.07053	1.3
95.04948	0.6
95.08629	0.7
105.07035	0.9
107.08626	0.6
109.10130	0.4
119.08608	1.5
131.08597	0.8
133.10098	0.4
142.15736	0.3
143.08563	0.4
145.10132	0.7
149.09563	0.3
160.11307	0.6
183.09265	0.4
204.06778	0.4
204.10223	2.9
205.10634	1.4
248.56091	0.3
275.20050	0.5
282.27551	0.3
309.12302	0.4
314.12979	0.4
335.25916	0.4
336.61435	0.4
337.94803	0.3
344.34781	0.3
365.17773	0.4
378.18539	0.4
379.19363	0.6
389.61099	0.3
391.15564	0.5
392.16495	0.9
393.16833	0.5
393.21506	0.4
405.16928	0.7
406.18143	0.8
407.18655	2.1
419.14560	0.8
419.19162	0.9
420.15378	0.8
420.20047	0.6
421.20526	6.0
422.21115	1.5
423.21939	0.5
431.18616	0.9
432.19226	0.4
433.15854	0.6
433.20758	1.2
434.17426	1.2
435.18152	1.8
435.22534	1.1
436.22977	2.2
445.16376	0.6
447.22061	1.4
448.18600	2.3
449.19702	9.7
450.20560	2.6
451.21451	0.4
459.17752	0.6
460.19101	0.7
461.19608	1.2
462.20526	1.1
463.21622	4.8
464.22174	5.0
465.22916	1.0
473.19742	0.7
474.20529	0.5
475.21307	1.9
477.18848	5.4
478.19861	1.9
479.20816	0.8
481.22644	0.5
491.21002	1.1
492.21628	1.0
493.22681	0.9
495.24246	0.6
505.22360	0.7
506.23932	0.5
507.24164	1.1
508.24551	0.4
509.25821	0.7
519.24115	0.5
521.21924	0.9
523.23260	2.6
533.22070	1.1
535.23700	2.7
536.24194	1.1
537.21802	1.6
547.23132	0.7
549.21033	0.6
550.25793	1.2
551.26660	3.6
561.24951	4.5
563.23419	0.7
564.23785	4.9
565.24493	2.6
579.26080	5.7
581.24231	1.1
590.61987	0.4
592.23267	0.5
593.27966	0.5
595.25543	2.1
596.26117	0.8
597.27374	1.7
607.25378	0.6
610.27808	0.8
611.28943	0.6
621.27228	3.9
621.41510	0.6
622.27094	0.4
624.25897	5.2
639.28125	100.0
640.28180	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	639.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.7
55.01876	5.8
55.05272	1.1
55.05514	18.9
57.03440	10.5
59.05000	0.8
61.02929	1.2
65.03934	1.5
67.05505	27.7
67.63985	0.8
69.03088	1.2
69.03431	16.0
69.07072	13.3
71.01337	0.8
71.04995	7.3
73.02910	0.9
77.03947	1.2
79.05494	25.6
81.03420	100.0
81.07056	31.0
83.04984	19.5
83.08622	21.7
85.02908	24.3
85.03432	0.8
85.06541	3.3
91.05486	31.8
93.03381	0.8
93.07048	19.5
94.41251	0.8
95.04970	24.7
95.08611	17.3
97.02892	15.3
97.06522	6.0
97.10175	11.6
98.21558	1.5
99.04452	7.7
99.08119	1.8
101.02401	1.2
103.03922	2.9
103.05451	1.2
105.07035	24.8
107.04967	8.8
107.08595	11.2
109.02887	16.1
109.06510	5.8
109.10145	7.9
111.04439	13.9
111.08075	10.9
113.06001	3.1
115.05469	2.5
117.07029	4.6
119.04929	1.9
119.08580	21.2
121.06521	5.1
121.10151	12.7
123.04438	2.9
123.08082	2.8
123.11699	8.8
125.09628	4.2
127.03925	13.8
128.06212	0.8
129.05510	2.3
129.07004	12.5
131.04962	1.4
131.08568	12.1
133.06516	3.5
133.10129	11.2
135.08083	2.5
135.11710	4.7
137.05981	1.2
137.09624	2.9
139.11203	3.0
140.11497	1.1
141.06947	1.0
142.07803	3.0
143.08574	1.9
145.04993	1.8
145.06464	1.7
145.10117	5.8
147.04460	2.9
147.08075	3.6
147.11688	18.1
149.05946	1.9
149.09642	7.2
151.11287	1.0
153.12762	3.8
155.08612	1.2
157.10135	14.3
159.08012	1.0
159.11690	1.3
160.77631	0.8
161.05977	1.5
163.03946	1.9
163.11194	6.6
165.12752	4.0
171.11748	1.8
173.04477	2.7
173.05939	1.4
173.09674	1.7
173.13278	1.3
175.11186	12.3
177.12822	0.9
181.12257	2.8
187.11308	1.0
187.13342	0.8
189.11232	1.5
189.12823	2.1
191.10709	2.8
193.12239	41.4
199.11313	0.9
205.12302	1.1
209.11743	1.5
211.13286	59.8
213.12769	1.0
227.12729	4.4
229.14261	1.7
233.15495	0.9
235.13307	1.5
243.21217	1.2
249.14830	1.6
251.24023	1.0
259.13156	1.6
261.22296	1.9
263.16455	0.9
267.15909	24.1
267.18594	1.6
273.14890	3.0
279.23196	7.2
283.15561	2.6
285.16995	14.5
293.21057	1.2
294.21707	0.9
297.24271	5.6
301.14346	5.1
319.15527	3.2
320.23016	1.2
333.26285	0.9
337.16544	3.3
337.23611	1.3
338.24109	2.5
349.21921	1.2
351.18033	1.4
355.17584	5.3
356.30847	0.9
357.24350	1.2
367.22574	2.3
375.18054	1.9
385.23776	4.1
393.19202	3.2
403.24802	1.8
411.20050	6.9
429.21204	4.5
459.27460	15.4
477.28473	17.3
495.29544	14.1
511.28345	1.1
519.29388	1.7
547.29010	0.9
561.30994	1.1
567.30243	1.1
573.30450	1.4
585.30432	4.2
603.31573	3.9
621.32794	15.8
639.33795	54.8
640.34747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.3
55.01869	5.4
55.05512	17.4
57.03439	9.3
59.05004	0.9
65.03947	1.5
67.05508	24.6
69.03081	1.2
69.03426	13.4
69.07074	5.5
69.38113	3.5
69.38528	1.1
69.82846	0.6
71.01363	0.7
71.04997	5.7
73.02921	1.0
79.05495	27.1
81.03420	100.0
81.07057	28.3
83.04986	20.7
83.08621	22.1
83.30059	0.6
85.02908	21.2
85.06561	1.6
86.28358	0.6
91.05484	29.8
92.90385	0.6
93.07049	16.8
95.04968	27.4
95.08614	8.8
96.29608	0.6
97.02895	13.0
97.06526	5.7
97.10167	6.9
99.04452	4.2
99.08080	1.1
103.03989	1.0
103.05483	1.3
105.07037	23.3
107.04958	8.6
107.08607	11.1
109.02883	16.2
109.06499	5.1
109.10155	4.7
111.04443	11.9
111.08081	10.1
113.02412	0.7
113.06047	1.7
115.05499	1.7
117.07036	4.4
119.04977	1.3
119.08588	20.4
121.06512	4.0
121.10143	8.9
123.04427	1.9
123.08095	2.1
123.11718	2.4
125.05988	1.1
125.09624	5.4
127.03936	7.1
128.06258	1.3
129.05493	1.9
129.07018	11.8
131.04965	1.8
131.08560	10.6
131.38087	0.6
133.06516	3.9
133.10135	10.0
135.04431	1.0
135.08098	2.4
135.11720	2.7
137.05972	1.3
137.09660	1.5
141.06970	0.7
142.07811	2.6
143.08646	0.9
145.06522	2.3
145.10156	4.3
147.04424	1.8
147.08047	4.3
147.11690	16.1
149.06009	2.1
149.09624	4.8
151.11220	0.8
151.91299	0.7
153.12782	2.5
155.08571	1.3
157.06465	0.9
157.08821	1.2
157.10117	13.6
157.11304	0.8
159.08098	0.9
159.11739	1.1
161.05992	0.9
161.09616	1.1
161.13277	0.8
163.03952	1.5
163.11179	5.2
165.12732	4.8
171.04518	0.7
171.08069	1.0
171.11655	1.0
173.04478	2.9
173.05920	0.6
173.09647	1.4
175.11179	13.0
181.12219	3.3
189.05573	0.7
189.11203	1.3
189.12784	0.9
191.10747	2.4
193.12254	39.0
197.09531	0.7
199.11258	1.1
209.11711	1.2
211.13293	60.5
212.13637	0.8
213.12843	0.8
213.14859	1.0
215.14458	0.8
227.07159	0.6
227.12691	5.6
229.14426	2.0
231.13898	1.1
233.15460	0.9
235.13370	1.2
243.39201	0.7
249.14984	2.1
255.13924	1.1
259.13538	0.7
267.15915	24.7
273.14841	3.4
277.14511	1.6
283.15579	2.6
285.17007	16.1
289.14487	0.8
291.16031	0.8
301.14328	6.2
303.16125	1.1
309.17014	1.9
313.16559	1.3
319.15506	2.4
321.17181	0.7
330.80081	0.7
337.16644	2.3
351.17944	1.2
355.17535	5.9
367.22830	2.5
375.18094	2.0
385.23666	3.2
391.90274	0.6
393.19070	4.7
403.24704	1.8
411.20193	4.9
426.30075	0.7
429.21268	4.0
449.28922	0.9
459.27411	15.6
467.30560	0.7
477.28497	18.8
493.27237	0.7
495.29541	17.7
501.28806	1.3
511.28946	2.0
519.29633	1.3
543.29810	1.5
557.31506	0.8
561.31049	1.4
573.30823	1.6
585.30518	4.0
603.31567	5.0
621.32770	18.5
639.33820	44.1
640.34027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.5
55.01862	5.6
55.05511	22.1
57.03437	4.1
57.07071	5.8
59.04989	3.3
60.08136	1.4
61.02928	2.3
67.05180	2.1
67.05508	27.5
69.03439	18.8
69.07076	43.6
70.20801	1.4
70.32759	5.0
71.04999	12.0
71.08620	1.5
73.02902	3.0
74.44229	1.3
79.05492	15.0
81.03425	17.8
81.07063	89.2
83.04989	7.2
83.08628	11.3
85.02910	24.7
85.06520	6.5
86.09684	6.3
87.00832	10.2
91.03925	1.9
91.05479	15.0
93.07052	50.7
95.04970	24.8
95.08614	66.2
97.02894	14.9
97.06537	8.6
97.10178	27.4
99.04463	7.1
99.08093	2.1
103.05502	1.6
105.01856	5.5
105.07042	29.0
107.08599	43.1
109.02879	14.0
109.06514	8.5
109.10160	48.5
109.87462	1.4
110.10519	1.5
111.08111	12.1
111.11734	11.7
113.09609	2.1
116.16732	1.3
117.07040	4.2
119.06052	1.5
119.08593	24.8
121.06502	4.1
121.10152	46.4
123.04461	1.8
123.08064	5.3
123.11711	66.5
124.99971	2.1
125.09649	3.8
127.03932	18.1
127.07530	1.4
129.01839	1.5
129.06973	2.0
131.08588	7.0
133.10130	15.1
135.08020	3.2
135.10696	2.8
135.11702	35.9
137.09616	3.8
137.13295	9.1
139.11179	16.8
139.41508	2.1
141.12738	5.1
143.08588	1.6
145.04947	6.3
145.10139	11.5
147.11691	29.7
149.09601	6.1
149.13264	10.6
151.03905	1.9
151.11157	5.9
153.12733	15.8
153.51920	1.6
157.10147	3.5
157.12244	14.2
159.02878	4.5
159.11699	16.3
161.13278	14.9
163.03893	1.9
163.11169	11.4
163.14818	6.2
165.12805	7.4
169.12236	6.0
171.11679	2.4
171.13828	3.7
173.09532	1.9
173.13354	7.6
175.11108	1.5
175.14813	4.2
177.05434	2.0
177.12781	4.4
177.16385	3.0
179.14304	1.8
181.12213	3.7
183.13864	2.4
184.07349	17.6
187.13295	18.7
187.14874	5.6
189.16386	2.2
191.14357	1.8
193.12184	1.5
195.13716	1.9
195.17453	1.7
197.13162	1.6
201.16379	4.8
203.12764	6.5
203.17924	2.6
209.15364	2.7
211.14830	1.7
213.04039	3.7
217.14307	2.2
222.78609	1.3
223.16942	2.6
231.05093	3.5
237.18414	2.1
237.53743	1.6
247.16959	2.8
251.16422	8.1
257.22711	5.6
259.20685	1.8
263.23645	1.6
267.15884	2.5
267.21069	2.9
269.17432	5.4
273.22125	1.5
275.23666	15.1
277.21677	3.7
285.22137	7.3
291.23203	11.5
293.24750	16.2
295.22672	1.7
303.23199	100.0
304.23495	1.7
309.24252	13.4
321.24240	75.0
327.25244	4.2
339.25290	42.9
357.26358	14.8
375.27417	2.1
401.21692	1.6
439.66461	1.4
447.27283	3.0
524.83191	1.8
533.27252	4.5
551.28619	8.7
569.29529	4.3
604.32159	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	640.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03669	0.8
53.03945	2.0
55.01873	2.2
55.05512	23.4
57.03446	4.9
57.07078	14.6
67.05507	22.9
68.62579	0.8
69.03428	3.1
69.07071	9.7
70.77792	2.5
71.08639	12.0
73.42603	0.8
79.05495	20.0
81.07062	19.4
83.04984	2.7
83.08621	16.2
85.06543	1.1
85.10168	5.7
91.05486	11.0
93.07047	11.6
95.05003	1.1
95.08606	12.6
96.08978	1.0
97.06538	2.1
97.10171	30.0
99.08107	1.3
103.07600	1.0
105.07035	12.3
107.04962	1.5
107.08586	26.0
109.06519	2.3
109.10156	9.5
111.08116	2.1
112.16045	0.8
117.06985	4.3
119.08584	8.7
121.10152	3.5
123.08089	0.9
123.11691	1.8
125.09634	27.8
125.10567	1.5
131.08551	3.0
133.10132	6.1
133.13763	0.9
135.08075	3.0
135.11678	1.8
145.10138	8.1
147.11732	4.4
149.09621	3.0
153.09062	2.1
159.11684	3.1
163.11232	0.9
171.10188	2.4
171.11566	1.0
173.13214	1.1
175.14873	0.9
183.11722	1.1
185.13301	2.2
189.11206	14.7
189.12740	1.3
197.13225	1.2
198.80676	0.9
200.33136	0.8
203.14389	1.2
219.17386	2.0
227.12779	100.0
239.18010	2.4
257.18970	7.7
275.20065	25.6
293.21024	1.4
303.73804	1.0
312.26123	1.3
313.27371	35.1
331.22623	3.7
349.23730	26.2
422.72446	1.1
483.36771	11.2
505.38644	2.2
562.59467	1.2
569.45758	1.3
587.46716	31.9
605.48053	2.1
640.46454	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.8
55.01871	2.7
55.05271	1.4
55.05511	19.8
55.46121	1.1
57.03437	13.6
57.06799	2.3
57.07079	43.1
65.03948	2.7
65.17196	1.1
67.05509	50.2
67.46481	1.1
69.03416	3.3
69.06737	1.6
69.07078	24.7
71.04982	4.0
71.07882	2.5
71.08633	27.0
79.05495	32.1
81.03395	4.7
81.07056	60.4
83.04987	9.3
83.08619	20.0
85.06536	4.3
85.10184	17.1
89.06020	3.2
91.05483	33.4
93.07047	41.8
95.04971	9.2
95.08607	41.1
97.06532	7.9
97.10171	5.8
99.08128	2.7
101.97884	1.2
103.05482	1.1
105.06392	2.0
105.07037	22.5
106.58364	1.1
107.04944	3.6
107.07973	1.8
107.08602	21.0
109.06511	3.3
109.10155	15.8
111.08068	3.0
115.05467	1.7
117.07021	11.3
119.07829	1.4
119.08596	18.1
121.06476	4.2
121.09501	1.0
121.10165	11.5
123.08043	3.4
123.11702	6.3
125.09592	1.9
129.06998	3.5
131.07697	1.9
131.08563	15.2
131.41847	1.3
133.10135	15.4
135.08046	3.4
135.11690	11.2
137.09575	2.4
143.08589	3.3
145.10130	10.4
147.11722	6.8
149.09589	7.0
149.13268	7.9
151.11140	2.3
157.10117	3.8
159.11702	8.2
161.13283	2.3
163.11188	4.1
169.10197	1.6
171.11627	2.3
173.13252	2.6
177.12724	2.2
181.12183	1.3
183.11665	1.2
195.13774	3.9
197.13460	1.7
199.14789	2.0
217.15869	5.1
227.12709	1.6
233.15323	1.2
235.16779	1.7
239.17867	3.0
239.23703	3.6
247.20486	2.3
251.16438	2.5
255.15965	12.4
257.18976	10.0
257.24753	2.0
267.15753	3.1
269.17487	15.7
275.20078	28.3
291.19473	3.9
293.20908	1.6
313.27374	77.2
321.24197	2.0
331.22769	1.8
349.23758	18.7
367.24838	2.2
445.94138	1.2
478.84473	1.1
493.38882	17.0
505.38571	3.5
507.40475	100.0
508.40811	1.7
547.43054	2.2
560.04828	1.2
587.46680	17.0
605.47174	4.8
605.56232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2606
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
57.03424	1.4
61.10735	0.9
67.05492	2.9
67.64111	1.1
69.07070	1.5
79.05474	3.2
81.07036	3.8
91.05482	2.4
93.07017	3.0
95.04947	2.0
95.08573	1.8
97.06537	1.1
105.07010	1.9
107.05006	1.1
107.08552	1.8
109.06498	1.2
109.10175	1.4
112.93855	0.9
113.05978	3.0
115.42057	1.0
117.06989	2.4
119.08530	2.1
120.08110	0.9
123.11745	1.1
131.08536	1.8
133.10095	1.4
147.11716	1.8
158.05879	0.9
199.08746	1.0
207.09102	1.6
208.09964	1.0
209.10736	2.3
221.10707	2.7
222.11438	2.4
223.12274	5.9
224.12965	1.4
225.13826	1.9
227.15666	1.0
230.42033	1.3
234.11343	1.4
235.12265	4.6
236.00769	1.0
236.13031	3.8
237.10138	1.6
237.13869	7.9
238.14619	8.6
239.15361	2.8
241.09799	1.4
246.11655	1.3
249.10085	2.6
249.13811	2.9
250.10777	1.3
250.14644	2.0
251.15349	7.3
252.16208	2.5
253.09595	1.4
261.13779	4.0
263.11746	1.5
264.12564	2.3
265.13504	1.5
267.07489	1.0
269.09464	1.0
269.12610	1.9
275.20078	2.2
277.13370	2.2
291.19531	1.2
299.14066	1.9
312.14810	1.1
313.15714	2.2
314.16330	2.0
316.17899	1.8
324.14841	2.2
326.12927	1.4
327.17422	1.9
328.14410	1.6
328.17987	3.1
329.18478	1.6
330.19357	1.7
338.16476	2.8
339.09583	3.6
340.14273	1.3
340.18042	1.7
342.15958	2.2
342.19598	1.9
349.23920	1.2
352.14075	1.6
352.18033	2.9
353.18851	2.9
354.19620	1.5
356.13660	1.3
356.17596	1.4
358.19165	2.6
365.19196	1.5
369.05945	1.1
370.19241	1.5
371.19800	4.1
372.16888	2.9
385.10205	3.3
386.18356	4.4
386.22955	4.6
387.19183	2.4
388.20200	2.6
389.20969	2.3
391.19077	1.2
396.17062	9.3
397.17871	2.3
404.23486	6.8
412.20352	11.7
414.18088	6.6
415.18906	3.5
418.18445	1.2
419.18579	2.9
430.21329	53.6
433.20206	2.3
434.21017	1.7
445.20468	1.6
447.17453	2.2
448.18494	1.5
449.23816	1.7
461.19870	8.9
462.20364	2.3
463.21027	3.5
471.17831	1.6
475.21860	1.3
476.21600	3.6
477.22357	3.8
478.23618	1.6
479.20554	2.2
489.19205	3.6
490.19040	1.8
491.20636	3.5
493.22128	2.1
494.23169	1.4
495.24112	1.3
503.20261	4.1
505.22229	2.4
506.23224	1.8
517.19025	1.2
519.23663	3.0
520.20898	2.3
521.21588	5.2
522.22424	2.4
531.19781	1.5
532.20801	1.3
535.22729	1.6
537.25342	8.5
545.21100	1.9
547.23151	3.4
548.21680	2.1
549.21240	1.9
550.22321	4.9
551.26294	2.8
553.26862	1.8
563.25653	3.0
564.23590	1.3
565.24609	18.6
573.20575	1.7
577.24353	1.3
579.25421	3.8
580.23236	8.7
581.26202	5.7
591.22327	13.7
595.25165	4.5
597.26831	12.7
605.23792	1.3
609.13458	1.8
609.23419	37.5
623.25061	45.8
623.41614	3.0
641.26422	100.0
642.25940	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	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	3.5
67.05495	7.4
69.07069	3.4
71.53619	2.9
79.05493	6.0
81.03429	3.4
81.07055	10.6
91.05480	4.6
93.07064	6.4
95.05004	3.3
95.08614	7.2
105.07043	6.1
107.08579	6.4
109.06552	2.7
109.10210	2.7
117.07059	3.7
119.08609	8.4
120.72631	2.3
121.10159	3.1
133.10167	5.1
143.08537	3.6
159.11832	2.6
173.13318	3.0
196.13359	2.5
288.16208	3.2
308.74677	2.4
324.15317	2.6
375.16162	2.8
389.18091	4.4
390.34177	2.7
391.19162	5.8
393.21109	3.4
403.19449	4.7
406.17905	5.5
407.18445	6.6
419.18301	5.7
419.23254	3.5
420.19720	9.0
421.20233	9.5
433.20355	11.9
434.21375	5.3
435.21902	46.5
436.22696	16.9
445.20285	4.1
449.23880	28.9
450.24097	4.7
460.22101	2.9
461.23740	4.9
462.20782	4.3
463.21436	10.0
476.22263	3.6
477.23132	19.4
478.24298	4.1
479.20752	8.3
479.25641	3.3
480.21521	3.8
493.22479	6.0
494.23102	22.6
495.23965	65.7
495.31238	3.4
497.21872	4.2
505.22614	5.5
509.25897	17.0
522.22705	3.2
537.25073	18.1
553.24506	5.5
554.25232	43.3
565.24622	5.9
581.24011	97.8
597.26984	43.8
609.23505	73.9
623.42767	6.7
641.26086	100.0
641.41748	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	641.2602
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
52.56458	0.9
53.03935	0.8
55.05513	0.9
57.03413	1.0
58.92670	0.8
60.82219	0.9
61.66097	0.8
67.05485	2.4
69.07065	1.4
71.04987	0.8
77.61539	0.8
79.05497	2.8
81.03448	1.3
81.07055	3.1
91.05492	2.5
93.07050	2.2
95.08611	1.8
97.06522	1.3
105.07004	1.4
109.06531	1.0
109.10184	1.5
117.37115	0.9
119.08600	1.7
121.10162	0.9
129.06989	1.1
131.08531	1.2
132.08041	1.0
133.10130	1.4
134.09782	0.9
136.11253	1.2
145.10100	1.9
147.11713	1.0
148.07596	0.9
152.65918	0.9
163.03963	1.3
184.66338	0.8
195.09163	0.9
197.10876	0.9
198.09163	0.7
207.09045	1.2
208.10072	1.3
209.10797	2.7
210.11569	1.4
211.08716	1.1
211.12230	1.5
221.10757	2.4
222.11568	2.3
223.08856	1.3
223.12303	8.3
224.13127	2.3
225.13940	2.7
232.10384	1.0
235.12367	3.2
236.13152	3.0
237.13870	7.0
238.14691	9.0
239.15486	3.1
246.11603	1.1
247.12323	1.8
249.10277	2.9
249.13911	3.8
250.14755	1.7
251.11963	1.2
251.15462	7.7
252.16254	1.6
253.09793	1.6
261.13684	4.0
263.11682	1.3
264.12595	2.1
265.13434	1.7
267.11206	1.1
275.19968	1.2
276.97702	0.9
277.13455	2.5
283.14529	2.6
289.06049	0.9
301.15698	1.3
311.16046	0.9
312.15030	1.1
314.16556	1.6
316.18097	1.9
324.15137	1.2
326.12741	1.2
326.16516	1.2
327.17441	1.3
328.14517	1.5
328.18195	2.7
329.18811	1.8
335.15436	0.9
336.15094	1.0
337.15836	1.1
338.16461	2.6
340.18167	1.2
342.15927	2.0
342.19809	2.4
349.18521	0.9
351.20331	1.0
352.14346	1.0
352.18188	3.0
353.18912	2.3
354.15988	1.3
355.17126	1.5
356.13821	1.2
356.17783	1.2
358.15384	1.5
358.19278	1.3
368.17563	1.2
370.15375	1.9
370.19516	1.7
371.20172	1.5
372.17188	3.2
385.17853	1.1
386.18567	3.2
386.22586	2.7
387.19553	1.6
387.89993	0.9
388.20261	1.9
389.21048	2.0
396.17078	7.1
400.20514	1.7
401.21310	1.2
402.17819	1.0
404.23224	1.6
406.18216	1.0
410.18671	1.1
412.20294	8.5
414.18085	5.3
415.19016	3.0
419.18466	1.8
430.21307	25.8
430.26959	1.6
433.16534	1.9
443.19067	1.2
447.18155	1.2
448.19046	1.3
449.19650	1.0
460.20279	1.3
461.19897	2.9
462.21414	1.4
463.22009	2.0
466.20377	1.2
471.18649	1.0
474.16956	1.2
475.21692	1.3
476.18524	1.5
477.23224	2.5
478.24014	1.7
479.20660	1.1
486.20175	0.9
489.19205	2.6
490.19556	2.1
491.20496	6.9
492.25613	1.2
494.23239	1.1
503.20734	3.8
504.21722	2.7
505.22037	3.3
506.22916	1.8
507.19852	1.0
509.22433	1.1
517.18329	1.4
519.24188	4.0
521.21985	4.1
522.23145	1.4
529.22729	1.7
531.20459	2.5
535.20831	1.8
537.25452	8.7
547.23389	3.6
548.21356	1.9
549.21436	3.0
550.22125	6.8
551.26642	2.9
553.26282	1.2
563.22235	2.6
564.23645	1.3
565.24451	28.5
579.26471	6.0
580.23309	8.4
581.23969	3.2
591.22803	5.6
592.21484	1.1
595.25574	5.7
597.27130	40.5
609.23523	7.1
623.25006	57.0
641.26050	100.0
642.26257	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	641.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.6
55.05500	0.8
67.05506	1.7
69.07097	0.7
70.19268	1.5
79.05505	0.7
81.07053	1.6
91.05469	1.0
93.07062	1.4
95.04964	0.4
95.08598	0.5
95.76342	0.4
97.06556	0.5
105.07033	1.5
107.08597	0.7
117.07025	0.5
117.93930	0.4
119.08576	0.6
131.08560	0.8
133.10152	0.7
145.10165	1.2
147.11716	0.9
149.09581	0.4
247.75787	0.6
261.14230	0.8
275.20142	1.0
279.14832	0.5
280.15564	0.5
349.24136	0.5
377.17697	0.5
379.19226	0.6
391.19354	0.9
393.20996	2.4
405.17065	1.7
405.21399	0.9
406.17578	2.1
407.17963	0.9
407.22928	3.4
408.23337	0.5
409.24023	0.5
418.17432	0.6
419.18225	3.5
420.19528	1.8
421.20395	4.5
423.22037	1.5
433.20349	4.7
434.21603	2.9
435.22171	6.5
436.22958	0.8
447.22498	0.9
448.18875	0.6
449.19586	7.9
461.24347	0.5
462.20383	0.9
463.21304	3.0
464.22034	2.0
465.18814	0.6
467.24829	0.9
476.22437	0.7
477.23428	0.8
479.21030	1.6
481.22571	1.9
489.23230	0.6
491.20435	0.5
493.22684	1.9
494.23059	3.6
495.23758	2.7
507.24039	2.4
521.25702	10.6
535.23572	0.8
539.22931	1.0
549.24939	1.0
551.26666	0.8
553.25372	0.6
563.22253	2.1
581.27692	20.6
599.25800	1.0
609.26221	0.5
623.25146	2.8
623.42914	1.3
641.29749	100.0
642.30261	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	641.2975
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.01864	0.6
55.05500	0.8
67.05506	1.7
69.07097	0.7
70.19268	1.5
79.05505	0.7
81.07053	1.6
91.05469	1.0
93.07062	1.4
95.04964	0.4
95.08598	0.5
95.76342	0.4
97.06556	0.5
105.07033	1.5
107.08597	0.7
117.07025	0.5
117.93930	0.4
119.08576	0.6
131.08560	0.8
133.10152	0.7
145.10165	1.2
147.11716	0.9
149.09581	0.4
247.75787	0.6
261.14230	0.8
275.20142	1.0
279.14832	0.5
280.15564	0.5
349.24136	0.5
377.17697	0.5
379.19226	0.6
391.19354	0.9
393.20996	2.4
405.17065	1.7
405.21399	0.9
406.17578	2.1
407.17963	0.9
407.22928	3.4
408.23337	0.5
409.24023	0.5
418.17432	0.6
419.18225	3.5
420.19528	1.8
421.20395	4.5
423.22037	1.5
433.20349	4.7
434.21603	2.9
435.22171	6.5
436.22958	0.8
447.22498	0.9
448.18875	0.6
449.19586	7.9
461.24347	0.5
462.20383	0.9
463.21304	3.0
464.22034	2.0
465.18814	0.6
467.24829	0.9
476.22437	0.7
477.23428	0.8
479.21030	1.6
481.22571	1.9
489.23230	0.6
491.20435	0.5
493.22684	1.9
494.23059	3.6
495.23758	2.7
507.24039	2.4
521.25702	10.6
535.23572	0.8
539.22931	1.0
549.24939	1.0
551.26666	0.8
553.25372	0.6
563.22253	2.1
581.27692	20.6
599.25800	1.0
609.26221	0.5
623.25146	2.8
623.42914	1.3
641.29749	100.0
642.30261	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	641.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
55.05510	3.7
57.03439	1.2
65.33893	1.0
67.05506	4.3
69.07051	1.1
72.38079	1.0
79.05500	5.3
81.07061	4.8
83.05013	1.0
86.01630	0.9
91.05482	4.1
93.07029	5.0
95.04971	2.7
95.08627	2.5
97.06534	1.0
97.10142	1.2
105.07056	3.2
107.08595	2.5
117.07023	1.7
119.08595	1.6
121.10183	1.4
121.72826	1.1
131.08568	1.3
133.10095	2.8
135.11743	1.1
137.09668	1.2
149.09665	1.3
171.11674	1.2
175.88741	1.1
197.10776	1.9
211.12312	1.9
223.12421	1.0
225.13893	1.9
239.11847	1.7
239.15465	2.5
275.20117	2.6
313.15512	1.6
334.19150	1.8
374.18628	1.2
384.17133	1.6
393.20523	1.4
403.19357	2.4
404.20090	1.7
405.20807	1.4
406.21384	2.3
407.22028	3.3
412.16513	1.9
416.20306	1.6
417.21030	2.9
418.21463	2.2
419.22501	2.1
421.23560	3.1
422.24463	5.1
429.20856	2.7
430.21381	2.8
431.22498	2.0
433.24518	4.9
434.24524	3.0
435.22122	1.7
444.19009	3.2
445.24112	2.1
447.17758	1.3
447.25372	2.6
448.19031	1.6
449.23465	1.8
459.21259	1.8
459.26321	1.4
460.22656	2.8
461.19489	2.0
462.20499	4.1
463.21298	4.3
472.22467	1.2
473.23340	3.1
474.23764	1.2
475.21213	4.2
476.21680	2.0
477.23087	10.9
487.24847	4.0
490.21454	1.2
491.24677	5.2
501.23459	1.5
505.25821	1.5
506.26630	3.4
515.24359	1.8
518.22943	1.1
519.27557	1.8
535.23816	1.7
536.23584	1.3
545.25433	6.8
546.26794	1.4
546.73071	1.1
547.27118	14.4
549.24860	9.0
550.25891	13.1
551.26599	2.4
563.26361	2.0
564.26892	1.7
565.24359	1.4
579.30084	5.2
580.23218	1.9
581.25500	1.1
591.26093	10.3
605.27551	15.5
609.27405	8.0
623.28687	100.0
623.44220	3.3
624.28204	1.7
641.26459	18.8
641.40479	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	641.2971
Annotation	Crooksiine
Peak:m/z	Relative Intensity
53.03948	0.5
55.01868	0.8
55.05513	2.3
57.03445	0.9
57.07064	0.6
67.05509	5.8
69.07063	2.0
70.11518	1.5
71.04997	0.7
74.59198	0.5
79.05498	3.9
81.07069	4.0
83.04974	0.8
83.08633	1.1
91.05483	5.3
93.07042	3.5
95.05010	0.5
95.08599	2.9
97.06524	1.1
97.10165	1.4
104.49108	0.4
105.07036	3.5
107.04951	0.8
107.08624	2.4
107.50517	0.4
108.08041	0.4
109.06548	0.8
109.10174	2.1
114.52573	0.5
115.05417	0.5
117.07033	2.1
119.08601	2.8
120.04456	0.7
120.08134	0.7
121.10136	1.4
122.09790	0.5
123.08068	0.6
125.09638	1.1
129.07037	1.0
131.08582	2.6
133.10156	2.0
135.08066	0.6
141.06966	0.6
143.08589	1.4
144.08125	0.7
145.10162	1.9
147.11758	1.2
147.66025	0.5
149.09642	0.6
155.08624	0.8
157.10118	0.9
159.11696	1.3
161.13341	0.5
161.63486	0.4
169.10150	0.6
171.11765	0.8
172.11264	0.5
173.13257	0.6
183.09302	0.7
183.11650	0.5
185.13261	0.9
189.11273	0.8
194.09715	0.6
197.10806	1.1
197.13344	0.8
208.11362	0.6
209.10703	1.1
210.11433	0.9
211.12334	1.4
215.07982	0.5
222.11423	0.7
223.12358	1.8
224.13115	1.6
225.13882	2.8
226.14639	0.6
227.11909	1.7
233.10898	0.5
235.12341	1.0
237.13927	2.7
237.16093	0.6
238.14742	1.0
239.11790	0.8
239.15456	2.3
240.16246	0.6
244.08434	0.6
247.12283	0.8
249.13908	0.8
251.15479	1.0
256.50665	0.5
259.20599	1.0
269.12997	0.5
273.13443	0.5
274.14166	0.5
275.15417	0.8
275.19928	2.4
276.15106	0.8
281.12848	0.7
290.13266	0.9
290.16599	2.1
291.19681	1.1
292.18234	1.3
298.13586	0.7
300.15195	0.6
301.15851	0.7
304.14682	0.9
304.18170	1.6
305.15604	0.5
305.18967	1.8
307.10855	1.3
312.14951	0.6
313.15720	1.5
314.16690	0.5
315.13599	0.8
316.18179	0.7
318.16144	1.8
319.16898	1.7
321.12305	0.7
324.14841	0.6
330.16196	1.2
331.17654	1.0
332.17667	1.2
333.24203	0.7
334.19238	1.0
343.17764	0.6
344.17682	1.4
345.18076	0.7
346.19177	1.4
347.20154	0.7
348.20782	1.1
349.23685	0.7
354.12231	0.8
355.13562	0.6
358.19244	1.2
360.20810	0.8
373.18961	0.9
374.18454	1.0
375.19739	0.8
377.17575	0.5
378.18561	0.5
379.19519	0.6
384.17233	1.9
390.22107	0.8
391.19000	1.1
392.19983	2.7
393.20728	1.9
397.30707	0.5
401.18115	0.5
403.19461	1.3
404.19922	1.6
405.21140	1.9
406.21417	4.5
407.22314	5.8
408.23090	1.6
412.16568	2.7
415.19476	1.3
416.20328	0.9
417.20926	1.5
418.21616	0.9
419.22592	2.8
420.23157	3.6
421.23990	7.4
422.24524	6.3
426.18295	1.4
427.19016	0.7
429.20993	1.5
431.22769	1.1
433.16162	0.8
433.24203	1.3
434.17825	1.4
434.24542	5.6
435.21924	1.6
443.22427	0.7
444.18979	4.4
445.23953	1.6
447.17606	1.0
448.19693	0.5
449.23505	0.8
459.21738	1.5
460.22595	0.6
461.19202	0.8
461.24078	1.0
462.20612	1.9
463.21002	8.3
473.23407	1.1
474.24179	0.8
475.21671	3.2
476.20667	2.4
477.22949	4.7
479.24707	1.0
487.25299	2.4
489.23004	1.8
490.19852	0.6
491.24765	3.1
494.27087	2.7
495.27707	2.7
501.19211	0.7
505.26456	0.6
506.27103	0.9
507.23935	0.8
508.22461	1.4
515.24792	0.8
517.22235	0.7
518.23486	0.6
519.19971	0.8
519.27808	0.7
520.21185	1.2
521.25562	0.6
522.26440	0.8
523.26727	1.3
531.23962	0.8
535.24316	0.9
536.24072	0.6
545.25537	7.1
547.27319	7.0
549.24976	13.2
550.25946	5.0
561.21210	2.3
563.26624	5.3
564.27405	0.8
565.28247	1.0
576.23730	1.2
577.24408	0.7
578.26398	0.6
579.29907	2.2
581.27332	1.2
591.26038	36.3
592.26666	1.1
593.23474	0.8
595.29425	0.9
597.26709	0.8
605.27557	5.6
609.27124	14.8
623.28674	100.0
623.42676	3.0
624.28693	2.2
626.26733	0.8
641.29492	18.2
641.41852	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	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01862	1.3
55.05515	6.2
57.03421	1.7
57.07055	0.6
65.03931	0.6
67.05183	0.7
67.05510	8.7
69.03434	0.5
69.07072	4.8
69.15848	1.9
69.16272	1.9
71.04990	1.1
71.08604	0.7
71.46313	0.4
79.05497	6.7
81.03431	1.1
81.07059	9.0
83.04988	1.0
83.08617	2.7
85.06556	0.5
89.06026	0.3
91.05488	6.4
93.07048	6.2
94.07401	0.4
95.04991	1.2
95.08611	5.4
97.02888	0.6
97.06546	1.3
97.10165	3.4
99.08056	0.4
105.07043	5.9
107.04976	1.3
107.08589	4.7
109.06510	0.9
109.10172	1.8
111.08099	0.8
115.05478	0.5
117.07034	3.2
119.08587	5.5
121.06497	1.0
121.10168	2.9
123.08103	1.0
123.11722	0.9
125.09622	2.2
128.06232	0.7
129.07018	1.9
131.08586	4.2
133.10129	4.5
135.08096	1.0
135.11687	1.6
137.09637	1.1
139.11168	0.6
141.07022	1.0
142.07768	0.6
143.08577	2.5
145.10106	3.4
145.88945	0.4
147.08047	0.6
147.11697	3.2
149.09624	1.0
149.13245	0.9
151.11214	0.5
153.07014	0.4
155.08559	1.7
156.09370	0.5
157.10156	2.2
159.11705	2.8
161.09615	0.5
161.13255	2.1
163.11179	0.9
165.12741	0.5
167.08595	0.7
169.10199	1.5
171.11705	1.5
173.13286	1.5
175.11099	0.5
175.14821	1.0
177.12747	0.4
179.08624	0.5
180.33296	0.4
181.10027	1.1
183.11711	1.6
185.13295	1.6
187.14833	0.7
189.11243	1.2
195.11749	0.7
197.10847	0.4
197.13316	1.2
199.14844	1.0
207.11794	0.8
209.13333	0.8
211.14757	0.8
213.16388	0.6
221.13237	0.7
223.13229	0.8
225.16443	0.7
227.12819	1.8
237.13809	0.5
241.17538	0.4
241.19525	2.0
249.10176	0.6
257.18744	0.6
259.20618	3.7
261.14157	0.5
273.18713	0.5
275.20108	1.6
277.21658	1.6
285.22113	0.7
289.17819	0.8
291.19537	6.4
293.20932	0.6
295.22824	2.0
296.23141	0.6
333.24338	3.1
346.62967	0.4
349.23798	0.7
363.26947	0.8
365.23138	2.2
381.27759	0.5
389.17560	0.9
390.18842	0.5
391.19415	1.1
392.20175	0.6
393.20831	0.6
401.17871	1.1
402.18149	0.9
403.19165	2.1
404.20239	1.9
405.20984	1.6
406.21719	0.9
407.22348	1.6
414.18790	0.4
415.19226	2.0
416.20190	2.5
417.20959	3.6
418.21741	2.2
419.22672	0.8
420.23294	0.6
421.23962	1.3
429.21313	2.9
430.21692	1.7
431.23212	2.9
432.23215	0.7
433.24118	5.7
434.25131	0.5
435.21884	1.6
443.22684	0.9
444.18320	0.7
444.23218	1.8
445.23978	3.2
446.24985	1.0
447.17349	0.7
447.25708	1.6
449.23315	1.6
452.22183	0.6
457.19781	0.8
459.20993	3.1
460.22659	1.9
461.19855	1.8
462.20352	3.7
463.21344	4.5
464.22424	0.5
472.22845	0.9
473.23422	3.8
474.18271	0.5
474.24268	2.1
475.21359	5.0
476.22156	2.1
477.22922	14.7
478.23782	0.5
485.23547	1.5
487.24997	5.7
488.25833	0.6
489.22913	2.3
490.23734	0.6
491.24579	5.0
493.21884	0.5
494.27054	0.7
503.24475	1.6
504.24927	1.2
505.26010	2.8
506.26590	2.6
511.34106	0.6
513.35645	0.4
515.24701	2.1
517.22412	0.8
518.23572	1.0
519.27704	3.2
523.27032	0.7
529.35175	1.1
531.23358	0.5
531.38257	0.9
532.24512	1.0
535.22888	2.6
545.25500	9.0
546.25995	0.7
547.27081	15.6
549.25012	11.2
549.38678	0.8
550.25751	13.8
562.25677	0.5
563.26709	2.5
564.27277	2.8
567.40186	0.8
573.25128	0.5
577.27893	1.6
579.29773	6.8
591.26025	13.7
591.35089	0.9
595.43378	0.5
605.27570	17.9
605.41827	2.1
609.26447	1.2
623.28656	100.0
623.42932	8.0
624.28973	3.0
626.26709	0.5
641.27045	3.0
641.44269	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.4
55.01862	8.1
55.05511	24.0
57.03435	31.5
57.07067	6.0
63.74493	1.9
65.03925	4.0
67.05505	90.0
69.07068	24.6
69.48379	13.1
71.04974	5.8
71.08614	1.9
76.44504	1.7
79.05492	59.5
81.03408	10.6
81.06590	3.7
81.07056	70.0
83.04977	8.3
83.08612	11.5
85.06539	28.6
86.09687	2.6
91.05475	64.3
91.29374	2.1
93.07040	57.8
95.01334	3.3
95.04971	66.6
95.08612	45.7
97.06547	10.1
97.10152	8.5
98.20745	3.0
99.85278	1.7
100.11235	6.0
101.11564	3.3
103.05502	2.0
105.06302	3.2
105.07027	63.5
107.04948	20.3
107.08598	36.0
109.05804	3.6
109.06517	56.2
109.10152	17.5
109.10867	2.8
111.08060	4.1
113.06008	100.0
115.05461	5.2
117.07021	28.1
119.08581	51.6
121.06503	8.0
121.10144	18.4
123.08051	8.4
123.11648	3.0
123.48836	2.0
125.09631	2.4
128.06197	5.6
129.07028	23.0
131.07611	2.8
131.08560	42.9
133.06488	4.9
133.10141	32.3
135.08054	39.8
135.11681	18.8
137.09593	6.0
141.06955	6.3
141.09090	4.4
142.07765	2.7
143.08554	24.5
145.06519	4.2
145.10123	32.7
147.08031	7.7
147.11667	17.3
149.09608	6.5
149.13228	8.8
155.08566	6.9
156.09225	2.3
157.10126	22.0
159.07996	4.4
159.11687	23.8
161.09567	9.5
161.13281	18.2
163.01730	2.0
163.11148	6.2
167.08562	4.7
169.10161	10.3
171.11670	15.7
173.09634	2.8
173.13290	14.7
175.11150	5.3
175.14832	7.6
177.12733	7.6
181.10120	5.8
183.11684	8.1
185.13222	9.8
187.11137	6.8
187.14752	4.6
193.10063	2.6
195.11688	6.0
195.13647	2.9
197.13327	6.2
199.11166	2.3
199.14864	8.5
201.12691	2.3
201.16330	3.1
205.12274	2.0
209.13322	6.0
213.12926	2.2
213.16418	3.4
215.18025	3.4
217.15837	11.6
217.19380	3.2
219.11719	1.9
221.13351	2.8
225.16417	2.6
237.16351	4.1
241.14229	2.4
241.19519	9.9
245.18988	4.5
251.17946	2.6
255.17555	4.8
257.19012	5.2
259.20605	15.1
271.16745	2.9
273.18497	27.4
275.20074	5.0
279.15955	16.0
285.25763	2.0
289.17981	4.7
291.19547	60.1
293.21246	2.3
295.20670	1.9
315.23154	5.1
327.26788	6.3
333.24234	35.0
347.22009	9.1
365.23239	13.6
437.33591	2.3
483.34375	2.6
499.33649	2.2
513.02142	2.2
513.36389	4.6
527.36847	2.0
531.38177	6.4
549.39044	6.1
551.37543	3.3
567.40283	5.4
569.38599	2.7
570.52570	2.1
605.42078	15.6
613.44110	2.6
623.43121	76.5
641.28857	4.7
641.43610	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	641.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.9
55.01863	17.6
55.05266	6.3
55.05517	65.2
57.03439	14.7
67.05509	100.0
67.61045	4.0
69.03423	11.0
69.07069	37.3
71.04977	8.1
71.08613	4.0
79.05502	72.3
81.03406	7.0
81.07067	79.2
83.04970	14.3
83.08626	36.1
83.35927	3.8
85.06550	5.2
91.05491	70.9
93.07056	62.8
95.04971	13.5
95.08627	51.8
97.06524	17.1
97.10182	46.6
98.20734	9.6
99.08050	4.7
105.07030	61.7
107.04961	7.5
107.08597	44.2
109.06505	11.2
109.10158	30.7
111.08080	7.0
115.05436	5.3
117.07032	33.8
119.08587	63.5
121.06519	6.6
121.10131	23.4
123.08048	5.8
123.11728	9.5
125.09628	32.5
128.06203	5.5
129.07042	21.0
130.07718	5.0
131.05751	4.2
131.08600	38.3
133.06487	5.9
133.10146	34.8
135.08057	16.9
135.11685	18.2
137.09639	7.1
141.06932	7.9
142.07799	6.7
143.08548	27.0
145.10123	30.1
147.08031	10.1
147.11714	29.0
149.09676	6.8
149.13283	10.4
155.08527	12.3
157.10138	27.2
159.08031	11.5
159.11685	25.4
161.09657	5.5
161.13266	19.2
163.11243	6.5
163.14879	6.1
165.06943	4.6
167.08505	5.2
169.10141	13.5
171.11687	20.4
173.13300	17.3
175.11290	4.2
175.14807	7.8
181.10123	11.4
183.11690	14.8
185.13249	12.6
189.11183	23.5
197.13301	9.7
199.14832	10.9
207.11613	5.7
209.13271	5.1
211.14742	9.7
213.16397	5.6
214.88557	4.2
223.13266	9.2
227.12752	34.5
227.17984	6.4
235.14742	5.7
239.18022	5.0
241.19604	9.1
257.18915	4.9
259.20590	25.6
271.16998	9.4
273.18463	7.9
275.20105	18.7
277.21832	4.7
289.17987	34.7
291.19589	54.8
299.23605	6.8
333.24249	27.1
335.25769	10.1
363.21814	9.6
363.26880	5.0
365.23141	12.2
379.29904	8.2
502.72552	4.7
525.35791	22.5
529.35260	7.1
531.37555	6.9
543.36652	15.6
605.41876	12.2
623.43127	83.2
641.28265	12.2
641.45099	42.8
658.82104	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	641.4412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.6
53.03937	6.6
55.01878	13.6
55.05514	51.4
55.39563	1.7
57.03439	10.6
57.07072	5.2
65.03932	3.4
67.05508	74.0
69.03442	11.5
69.07072	37.2
71.04977	7.4
71.08631	3.9
77.03912	2.1
79.05495	64.3
81.03409	5.7
81.07063	72.4
83.04981	9.2
83.08626	28.6
85.06527	7.5
85.10171	2.2
89.06037	3.1
91.04910	2.6
91.05486	63.5
93.07048	67.9
95.04988	13.7
95.08615	45.6
97.02896	4.5
97.06537	11.7
97.10181	31.9
99.08083	3.5
105.04507	2.1
105.07036	61.6
105.58633	1.8
107.04950	6.2
107.08603	46.0
109.06493	7.9
109.10162	23.8
111.04433	2.6
111.08083	6.8
113.05999	2.1
115.05454	4.7
117.07030	29.9
119.08591	48.3
121.06501	4.9
121.10146	21.0
123.08110	8.2
123.08863	1.8
123.11731	11.2
125.09636	26.1
126.80294	1.6
127.33028	1.7
128.06232	7.7
129.07004	23.1
130.07732	2.5
131.08575	37.2
133.06506	3.8
133.10136	35.1
135.08084	10.6
135.11700	12.6
137.09616	3.6
139.11194	2.5
139.74017	1.9
141.06990	7.9
142.07846	3.9
143.08559	21.1
145.06464	2.2
145.10129	30.9
147.08034	5.4
147.11699	26.9
149.09601	6.8
149.13307	8.5
151.11145	4.6
153.07077	2.5
153.09085	4.3
155.08566	19.0
157.06473	2.0
157.10156	23.0
159.08049	4.8
159.11696	25.0
161.09618	4.0
161.13278	18.3
163.11168	5.7
163.14853	3.3
164.45987	1.5
165.07069	2.8
167.08568	5.9
169.10124	14.8
170.10773	2.0
171.11670	21.0
173.09637	1.8
173.13229	15.8
175.11261	3.7
175.14827	10.3
177.12784	2.8
179.08467	1.9
181.10147	9.4
183.11697	16.3
185.13254	14.6
187.11185	4.2
187.13312	3.2
187.14789	9.4
189.11252	16.0
189.12753	3.0
193.10063	4.6
193.12360	1.8
194.10889	2.1
195.11679	10.0
197.13266	10.1
199.14883	8.1
201.16432	4.1
203.08855	1.9
207.11813	3.5
209.13266	7.0
211.14760	5.7
213.12691	2.1
213.16393	4.2
215.14432	1.9
215.17969	2.6
219.17648	2.1
221.13295	3.0
223.13162	15.6
223.15111	2.8
225.16440	4.8
227.12769	22.6
227.17937	3.2
231.21013	3.6
233.13327	2.2
235.14728	3.3
237.16362	3.1
239.17879	3.5
241.19545	17.7
242.06572	1.8
243.15779	2.6
243.21013	3.1
245.19011	2.0
249.16573	2.4
253.19566	2.2
255.17450	2.5
257.19040	4.2
259.20621	36.3
265.19333	1.8
267.21042	2.0
273.18558	10.6
273.21133	1.9
275.20096	9.3
277.21631	4.9
285.22058	3.5
289.17966	7.4
291.19553	78.1
295.22699	6.6
296.23019	3.6
301.21875	1.8
315.23190	3.1
333.24307	31.0
347.22385	2.4
349.23810	3.0
363.26663	5.6
365.23236	31.1
379.29971	7.0
381.27780	5.0
397.31042	3.2
403.18811	2.7
416.19989	2.4
417.20959	3.5
429.20728	2.4
430.21796	2.3
431.22571	3.8
433.23962	3.0
435.27432	1.8
437.30637	2.2
445.24063	2.1
455.31732	2.5
459.32294	1.8
463.21057	4.0
473.23053	4.2
474.24313	2.6
475.21259	5.1
477.22870	11.0
487.24734	4.7
491.24030	3.4
505.25778	2.4
506.26715	2.4
511.33969	6.6
513.36798	6.5
525.35553	5.8
529.35364	8.0
531.37872	7.0
543.36572	4.8
545.25232	4.8
547.27014	12.7
549.25208	9.2
549.39191	7.9
550.25977	10.3
554.36255	2.0
565.39459	1.9
567.40344	6.3
579.29279	7.1
583.39648	2.1
591.25891	9.9
595.43469	2.3
605.27509	14.3
605.41913	18.5
623.28314	88.2
623.42786	100.0
624.28314	3.7
641.26514	6.0
641.44318	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88420	0.7
67.05495	1.9
69.07066	1.0
70.06567	1.5
70.82567	1.6
70.82913	1.0
79.05496	6.0
80.04996	1.3
81.03407	1.2
81.07047	1.4
85.02888	0.7
86.09663	0.9
87.00818	0.8
91.05478	4.6
93.05780	1.2
93.07044	6.0
94.06551	2.4
95.04963	1.3
95.08598	1.1
96.08131	1.2
99.10295	0.8
103.03964	1.1
103.05478	6.0
105.04440	0.8
105.05788	2.4
106.06531	0.8
107.08580	1.1
108.08125	7.5
110.09683	1.2
118.06538	2.8
119.07335	1.2
120.08106	36.6
121.10110	1.2
122.06042	5.0
127.03912	1.6
136.07571	11.6
138.05533	2.1
138.09145	3.8
146.06001	1.2
148.07573	96.4
162.05460	0.8
163.03902	0.8
164.07097	2.2
166.05011	1.2
166.08665	6.8
173.09625	0.8
174.05486	0.9
177.05527	1.3
180.06610	1.3
184.07353	1.6
186.64996	0.8
196.07465	0.8
204.06377	1.0
208.09756	1.4
211.08643	3.3
212.09418	0.9
213.10258	1.2
222.07643	1.1
223.08612	4.5
224.09421	2.6
225.10181	5.1
227.08134	2.6
227.11871	1.7
237.10229	17.7
238.10970	1.8
239.08185	7.7
239.11787	3.4
241.09763	5.4
243.11513	0.8
247.08632	1.2
248.09436	0.9
249.10236	2.5
251.08195	5.6
252.08681	20.1
253.09709	9.6
255.11263	2.2
265.09729	30.9
266.07480	1.1
266.10498	2.7
267.07745	3.5
267.11285	8.7
269.09241	1.5
271.10818	1.1
277.09790	2.3
279.07648	1.7
279.11276	1.1
280.08441	1.0
281.09229	18.2
281.12408	1.7
282.09958	1.0
283.10800	11.6
284.62408	0.9
285.64148	0.8
287.10345	2.3
293.09177	23.4
294.10025	1.1
295.10794	15.2
297.08527	1.3
299.10342	4.3
302.12723	0.8
307.10699	2.1
309.08710	3.6
311.10263	22.5
313.11826	1.2
315.13495	0.8
321.08670	10.8
325.11835	1.6
327.09714	12.8
330.15991	1.1
335.10144	1.3
335.22141	1.8
336.22400	1.7
339.09772	47.2
341.11411	3.1
342.11917	0.9
343.13071	1.4
344.13873	1.5
353.11423	8.6
354.12100	1.0
356.13672	2.2
357.15018	1.5
358.15536	2.5
359.12332	15.7
371.12369	33.5
372.12759	1.1
372.17078	1.8
374.10248	1.1
385.14133	2.5
386.14587	2.1
400.16684	5.1
402.18414	1.4
418.17465	2.2
428.16129	3.8
431.15106	0.9
446.17267	5.2
456.15808	1.0
474.16623	13.1
478.19629	2.4
488.17999	1.3
492.17853	5.3
506.19336	13.9
524.20190	4.1
533.92999	1.1
534.18719	14.9
550.18140	5.9
560.16290	2.8
566.21344	8.0
578.17694	100.0
579.17706	1.4
592.19214	3.7
608.41296	1.0
610.20337	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77971	0.8
53.03931	1.6
55.01865	1.1
55.05520	1.0
59.38091	0.8
67.05495	1.8
69.82579	3.0
69.82996	1.7
79.05508	5.5
80.05022	0.9
81.07037	2.0
84.30309	0.9
85.02868	1.6
86.09707	1.2
86.74322	0.8
91.05463	4.0
93.07051	6.2
94.06564	2.9
96.08112	1.1
97.02861	1.1
103.03922	0.9
103.05468	5.4
105.05756	1.7
105.07012	1.1
108.08120	7.6
110.09629	1.5
118.06573	2.0
119.04980	0.9
119.07253	2.4
120.04492	1.3
120.08106	33.1
121.10175	0.9
122.06030	7.2
122.09673	1.0
122.70139	0.9
124.07586	1.0
127.03861	1.4
136.07585	14.1
138.05479	1.6
138.09129	4.0
144.04466	2.2
146.05952	2.0
147.04372	1.3
148.07573	100.0
150.09111	1.7
152.07086	2.8
164.07028	3.0
165.46054	0.9
166.04932	2.3
166.08644	6.9
171.10187	0.9
172.03920	6.8
174.05632	0.8
190.05006	3.2
199.08516	1.9
204.06540	8.7
206.08173	1.2
208.09779	2.1
209.10843	0.9
211.08597	3.2
213.10326	1.1
223.08655	2.5
224.09325	1.8
225.10291	4.4
227.08092	2.3
236.09444	1.1
237.10216	14.5
238.07396	0.9
238.10896	1.8
239.08183	5.3
239.11736	3.4
241.09805	5.4
243.11224	1.3
249.10262	2.3
251.08107	6.4
251.11922	1.0
252.08691	20.8
253.09743	11.6
254.10481	1.1
255.11252	3.3
264.08850	1.9
265.09741	31.3
266.10513	2.7
267.07785	5.9
267.11188	7.1
269.09247	2.5
275.07986	1.2
277.09793	2.0
279.07635	5.7
279.11365	3.5
281.09241	18.9
282.09970	1.2
283.10736	9.9
287.10345	3.0
293.09213	23.0
294.10007	1.7
295.10736	13.3
299.10379	4.5
302.13123	1.1
307.10806	3.9
309.08588	3.9
309.11996	1.4
311.10263	22.0
313.11826	1.6
315.13370	2.1
321.08670	16.3
325.11777	2.5
327.09705	13.1
327.13284	1.6
330.12518	1.2
330.16119	1.4
339.09753	45.4
339.13113	1.7
341.11160	4.4
343.13040	1.5
353.11313	10.2
356.13828	1.4
357.14658	1.7
358.15445	3.5
359.12393	17.9
371.12415	31.5
372.17084	2.3
381.22681	1.2
385.14246	2.7
386.14807	1.6
400.16675	4.7
402.09555	1.5
411.11816	5.0
418.17468	2.6
428.16245	4.1
446.16956	5.5
456.15311	1.2
474.16595	13.3
478.19504	2.7
488.17789	2.1
490.19226	1.2
492.17523	6.4
506.12411	1.3
506.19275	14.9
516.17773	1.0
521.07672	1.0
524.20374	4.1
534.18732	12.1
548.19653	1.1
550.18408	6.4
560.16595	4.7
566.21307	9.9
578.17682	93.1
579.18164	1.3
592.19208	4.8
610.20288	23.1
624.21326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01868	0.6
55.05513	7.2
57.03440	3.2
57.07080	23.7
59.09512	0.5
65.03937	1.6
67.05509	26.3
69.03412	0.6
69.06732	0.8
69.07073	9.1
70.69331	1.3
71.04977	1.3
71.08639	17.0
79.05072	0.8
79.05500	13.6
81.03408	1.7
81.07064	28.8
83.04984	4.8
83.08624	8.5
85.06532	1.4
85.10191	8.5
91.05486	10.6
93.06484	0.9
93.07052	15.9
95.04981	5.3
95.08610	20.0
97.06557	3.9
97.10170	3.7
99.08111	2.8
99.11742	0.8
105.04520	0.7
105.07035	5.8
107.04939	1.0
107.08605	8.6
109.06506	1.9
109.10165	8.0
111.08086	1.7
111.11720	1.2
113.09619	0.8
117.07011	4.0
119.08599	3.1
121.06483	0.6
121.10160	4.1
123.08023	0.7
123.11679	2.3
124.21632	0.4
125.09621	0.8
129.06995	1.0
131.08597	4.2
133.10143	4.0
135.08076	0.8
135.11737	2.7
137.13275	0.8
139.11153	1.4
145.10164	0.8
147.11676	2.4
149.09598	0.9
149.13239	5.4
151.11209	3.4
151.14827	0.7
157.10167	0.6
159.11723	3.6
161.13292	1.9
163.11189	1.9
165.12848	0.5
171.11705	1.0
175.11157	0.7
175.14835	0.7
177.12726	1.9
177.24384	0.5
179.14351	1.1
195.13786	3.4
207.69653	0.5
213.14954	0.5
227.12814	1.0
233.15359	1.1
239.23741	2.4
241.19543	0.8
251.16458	2.1
259.20590	1.8
269.17502	9.7
277.21640	5.4
313.23651	1.1
313.27374	22.4
341.26938	0.6
351.25259	8.6
368.25751	0.6
411.34732	0.8
507.40488	100.0
508.40668	2.1
537.11133	0.5
589.48438	6.0
607.49939	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01865	2.5
55.05514	19.6
57.03435	2.2
57.07083	10.4
58.98548	1.0
59.42928	1.0
59.63685	1.2
67.05508	22.4
69.03438	1.4
69.07071	9.1
71.08635	7.1
71.09002	2.4
71.09329	1.2
79.05496	12.2
81.03423	2.0
81.07060	15.6
83.04964	2.9
83.08621	14.0
85.10176	3.5
91.05484	4.4
93.07043	10.7
95.04987	1.2
95.08622	8.8
97.10168	25.2
99.08086	1.5
99.67232	1.0
105.07026	3.3
107.08611	10.6
109.10141	6.0
111.08060	1.5
117.07019	1.4
119.08584	1.4
121.10156	1.9
125.09636	21.6
131.08591	1.0
133.10136	1.3
135.08081	2.5
135.11726	1.3
143.10666	1.2
147.11737	2.4
149.13235	3.7
151.11212	2.0
153.09158	2.5
154.92903	0.9
157.66631	1.0
161.13318	1.7
161.92628	1.2
162.47461	1.2
171.10161	2.9
179.14409	1.1
188.33401	1.0
189.11234	12.3
227.12791	100.0
228.13313	1.5
231.15923	2.3
259.20703	1.5
277.21658	13.6
295.22766	2.7
313.23965	1.6
313.27344	21.1
351.25266	18.7
483.36887	9.0
507.40021	1.3
589.48364	21.8
589.57611	1.0
642.43982	2.5
673.26416	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48774	0.7
51.33210	0.6
53.03920	1.5
55.01852	1.4
55.05509	8.9
57.03441	3.0
65.03917	1.3
67.05505	20.8
69.07069	8.6
69.60709	3.9
69.95585	0.6
71.04966	1.3
79.05495	13.9
81.03370	1.2
81.07056	17.4
83.04935	1.9
83.08620	5.7
83.35443	0.6
85.06483	1.2
85.20342	0.6
91.05481	15.2
93.06508	0.9
93.07047	14.5
95.04939	2.5
95.08611	14.6
97.06548	3.3
97.10192	2.9
97.44395	0.6
98.20831	0.8
99.08044	0.6
100.03551	0.7
105.04463	0.9
105.06425	0.7
105.07040	13.1
107.04878	1.1
107.08012	0.7
107.08603	8.8
109.06482	1.6
109.10164	6.9
111.08031	1.4
115.05465	0.7
117.07010	5.2
119.08578	12.3
121.06507	1.4
121.10143	6.0
123.08036	1.6
123.11703	1.5
125.09579	2.5
129.06998	4.0
131.08574	8.9
133.10130	8.3
135.07990	1.6
135.11688	3.5
137.09592	1.6
137.13245	0.8
139.11188	0.6
141.06876	1.1
143.08598	4.0
145.10132	7.2
147.08072	0.7
147.11697	6.8
149.09587	2.4
149.13193	2.3
151.11119	0.6
155.08528	2.3
157.10127	3.2
159.11691	5.3
161.09550	1.2
161.13278	5.2
163.14809	0.6
165.12816	0.7
167.08507	0.6
169.10164	3.0
171.11671	4.4
173.13275	3.8
175.11136	1.1
175.14781	1.8
177.12642	0.9
181.10114	0.7
183.11676	2.2
185.11813	0.7
185.13260	2.9
187.14833	1.4
189.11162	1.3
195.11650	1.1
195.62173	0.6
197.13246	1.2
199.14749	1.8
201.16190	0.9
204.78644	0.6
209.13239	1.1
211.14804	1.7
213.16341	0.8
223.14902	0.6
225.16316	0.9
227.12692	1.0
235.14740	0.7
235.16942	0.7
239.17966	1.1
241.19553	4.5
254.55084	0.7
257.18976	1.2
259.20581	8.0
261.22205	0.7
273.18478	1.5
275.20129	6.0
291.19522	1.4
293.21146	1.1
313.71570	0.7
315.23114	1.2
333.24240	6.7
335.25830	1.1
349.23975	1.6
365.23285	1.0
367.24881	3.4
396.12155	1.0
397.12958	1.3
398.13913	1.7
410.13846	1.8
411.14600	6.2
412.14999	3.4
413.16013	2.2
423.14502	1.2
424.10950	1.5
424.15558	2.5
425.16245	10.7
426.16846	8.7
427.17703	1.8
428.18500	2.6
437.16193	1.3
438.12354	3.1
438.18164	1.0
439.13589	14.2
440.19174	5.0
441.19266	37.0
442.19730	2.1
452.14154	4.2
453.15219	15.3
454.15866	3.8
463.13989	1.1
465.15237	0.8
466.16962	1.0
467.17178	24.6
468.17883	15.6
469.18884	11.5
471.16125	0.7
479.16861	0.9
481.14786	13.0
482.15271	2.9
485.18634	0.7
495.15671	2.8
496.17172	16.4
497.17801	3.1
498.18851	0.8
501.36569	0.9
508.19611	1.1
509.18192	2.6
512.20746	0.8
513.21112	0.7
513.35852	1.6
514.22015	2.6
515.37537	2.5
523.19678	1.5
527.23553	4.3
527.37329	1.2
533.40149	1.4
536.18738	0.7
537.19537	0.9
540.20581	1.3
542.21545	0.7
551.41022	1.6
555.22406	28.7
556.22577	1.7
583.21912	100.0
584.21918	6.1
587.25275	1.7
607.43329	5.2
611.21436	1.9
614.23511	1.3
615.24561	13.5
625.44562	11.4
643.23938	88.2
643.45496	8.0
644.24084	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96009	0.6
55.01875	0.9
55.05510	3.2
57.03433	1.1
62.12456	0.6
67.05503	7.0
68.05833	0.6
69.07072	1.9
69.15929	2.6
69.16355	3.3
79.05489	5.6
81.07059	6.4
83.04987	0.8
83.08646	1.0
85.06538	0.7
89.06048	0.9
91.05503	3.5
91.97669	0.6
93.07050	4.9
94.06585	0.7
95.05000	3.4
95.08623	4.1
97.06582	1.0
97.10177	0.7
104.56505	0.7
105.07030	3.0
106.07389	0.6
107.04974	0.9
107.08607	2.9
109.06557	4.4
109.10170	1.8
111.41322	0.6
113.06010	1.4
117.07037	2.0
118.06583	1.0
119.08604	2.2
120.08108	1.5
121.06521	0.6
121.10164	1.9
125.09691	0.6
130.06549	0.9
131.07570	0.5
131.08612	2.2
132.08116	0.8
133.06593	0.6
133.10172	1.5
135.08095	2.7
135.11725	1.9
143.08601	1.4
145.10153	1.8
146.09624	1.3
147.11679	1.3
148.07562	0.6
149.09651	0.8
157.10164	0.8
159.11676	0.9
160.07561	0.8
163.11206	0.6
163.67607	0.6
164.10745	0.9
171.11679	0.6
173.13280	1.3
174.09247	0.8
183.09227	0.7
185.10794	0.7
197.10823	0.8
203.11797	1.0
209.10809	1.2
210.11595	0.6
217.15959	0.6
220.09860	0.6
221.10826	1.3
223.12309	1.5
224.13329	0.8
225.13939	1.0
227.12762	0.7
229.13385	0.6
231.11143	0.7
234.11523	1.2
235.12318	2.5
237.10164	0.8
237.14005	1.6
238.14656	0.8
239.11890	1.1
239.15515	1.0
245.10881	0.8
247.12416	1.2
248.13025	1.2
249.13863	1.4
251.12039	0.7
251.15414	0.8
253.17096	0.8
260.11911	0.8
260.21255	0.6
261.13907	2.4
261.21835	0.8
263.11954	1.1
263.15363	1.0
265.13400	0.7
271.11966	0.6
273.13922	2.2
273.18408	3.0
274.13260	1.4
275.15250	1.3
277.13492	0.9
283.15076	0.6
286.13550	0.9
287.15393	1.0
288.11682	0.7
288.16208	1.0
289.16205	0.7
291.19519	8.7
292.19839	0.7
298.14093	0.6
300.11761	0.7
300.15033	1.6
302.13004	0.9
302.16666	0.9
303.13605	0.8
304.14551	1.3
312.14835	0.8
314.16571	2.0
316.14438	1.2
318.16141	2.1
324.14645	1.0
326.16754	1.3
327.17642	1.0
328.18134	1.0
330.16125	0.7
332.17676	1.6
335.14572	0.7
335.25690	4.8
336.15170	1.2
337.15646	1.7
338.16809	1.3
340.14438	0.9
340.18164	1.8
350.15845	0.8
351.16550	0.8
352.17914	2.0
353.18304	1.2
354.19550	1.3
362.16422	1.1
363.16345	1.3
364.17871	1.7
365.17984	2.4
365.23004	1.4
366.19647	1.4
367.19580	1.4
376.17197	1.7
377.17731	2.5
378.19485	1.4
379.15329	0.8
379.19397	5.2
380.16498	1.1
380.20969	1.6
381.16788	1.1
381.20953	2.7
389.18198	0.9
390.19473	1.4
391.19501	3.3
392.20135	2.1
393.17151	3.0
393.21713	3.6
394.17847	1.9
394.22324	1.2
395.18814	2.4
403.19244	0.9
405.20828	2.2
406.18121	1.1
406.22327	0.9
407.17978	4.0
407.22986	1.9
408.19135	4.8
409.20212	7.5
410.20917	2.0
419.18304	1.6
420.19772	1.5
421.19620	5.3
421.24774	1.5
422.21445	4.1
423.22006	14.4
424.22321	2.3
425.23856	1.1
433.20654	2.9
435.22308	6.2
436.23056	4.6
437.24133	5.9
438.21872	1.4
439.21536	1.9
440.19690	1.1
441.23196	0.9
442.21216	1.2
443.22177	3.0
446.21286	2.8
447.21848	1.9
448.20621	0.9
449.18787	1.4
449.23663	2.2
450.19824	1.3
450.25089	1.2
451.19598	2.7
451.25156	5.5
452.22482	1.1
453.23032	2.7
454.19479	3.9
461.23535	6.1
463.21375	1.4
464.22162	3.1
465.23056	6.2
466.21674	0.9
467.20706	2.7
469.26492	1.2
470.26938	0.7
477.22934	2.0
478.24136	1.7
479.25211	10.8
480.25955	3.9
481.22250	13.3
482.22873	3.9
483.24164	2.1
490.20679	0.9
493.21909	1.6
494.23206	9.8
495.23691	5.7
496.24759	10.9
497.25577	9.8
502.23547	1.6
503.24750	0.7
505.22629	1.8
507.24332	3.8
508.24597	2.2
509.21738	4.8
511.27399	5.0
512.27966	3.6
513.24725	0.9
521.25677	1.5
522.24725	1.0
523.23450	12.2
524.24280	6.9
525.25049	0.8
527.26172	1.3
534.22491	0.8
537.21985	1.0
539.26910	17.2
540.26013	0.9
541.24457	2.5
549.24902	0.8
551.22913	2.7
552.23810	1.7
556.26819	3.0
557.27747	1.1
567.26013	21.9
568.24976	1.2
569.24109	4.6
571.26166	0.8
581.27698	2.3
582.26178	1.5
583.25513	38.1
584.25958	4.8
593.25195	1.0
599.28644	90.9
600.28448	2.3
601.26752	3.4
611.25012	100.0
612.24860	2.2
625.26642	2.7
625.44183	5.1
643.27759	16.2
643.45251	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	643.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
53.87272	0.2
55.01867	0.4
55.05514	1.2
57.03435	0.6
61.02927	0.3
67.05218	0.2
67.05511	2.2
69.03432	2.4
69.07053	1.0
69.51684	1.6
69.70407	0.2
71.04989	0.8
72.08166	0.2
72.32764	0.3
73.02913	0.4
79.05495	2.4
81.03416	2.6
81.07063	5.2
83.04997	1.1
83.08620	1.0
85.02912	6.4
87.04440	0.3
87.76670	0.2
91.05477	2.1
93.06490	0.4
93.07050	5.8
95.04959	0.7
95.08613	6.0
97.02897	2.9
97.06527	0.7
99.04459	4.7
99.08079	0.7
103.03944	5.1
105.07044	3.3
107.04939	0.5
107.08602	5.6
109.02888	3.7
109.06511	0.9
109.10164	3.1
111.08116	0.5
111.11731	0.3
117.07040	0.6
119.04900	0.3
119.08588	3.8
121.06496	0.8
121.10168	3.9
123.08070	1.2
123.11722	0.9
125.09621	0.7
127.03926	9.1
129.07011	0.5
131.08580	1.9
133.06523	0.3
133.10141	2.9
135.08073	1.3
135.11685	1.5
137.09618	0.9
139.11176	0.8
140.20952	0.3
141.06979	0.4
141.09113	0.7
143.08546	1.9
145.04958	2.0
145.10129	3.0
147.08046	0.9
147.11693	3.9
149.09636	1.5
149.13261	0.8
151.00449	0.2
151.11160	0.7
152.38275	0.2
155.08549	1.0
155.10660	0.3
157.10143	2.1
159.08046	0.8
159.11708	3.1
161.09627	4.3
161.13260	2.3
163.06032	0.9
163.11163	1.0
165.09088	0.4
165.12723	0.3
167.07056	0.4
167.08542	0.3
169.10165	1.4
171.08072	0.4
171.11700	2.1
173.09653	0.6
173.13271	1.7
175.11136	1.1
175.14867	0.6
177.12779	0.6
179.10670	0.3
179.14258	0.2
181.10092	0.6
181.12231	0.4
183.11685	1.7
184.12445	0.3
185.09619	0.3
185.13306	1.7
187.06053	0.4
187.11209	0.8
187.14847	1.1
189.12799	2.3
191.14299	0.5
193.10695	0.3
193.12233	1.6
195.11699	0.7
195.13715	0.4
197.13254	2.4
199.11214	0.4
199.14775	1.2
201.12769	1.2
201.16388	0.8
203.14304	0.7
205.15962	0.2
207.13716	0.3
209.13258	1.0
210.14029	0.4
211.14838	1.4
213.12761	0.7
213.16368	2.4
215.14287	0.9
215.17921	0.6
217.12321	0.2
217.15926	0.5
219.13818	2.8
223.14830	1.0
223.62462	0.2
225.16359	1.4
227.14400	0.7
227.17964	1.8
229.15900	0.4
229.19534	0.6
231.13998	0.2
231.17528	0.3
233.15404	0.3
237.16376	0.3
239.17952	0.8
241.15770	1.2
241.19447	2.0
243.17467	1.2
243.21152	0.6
245.15364	0.5
245.19102	0.5
252.18896	0.3
253.19524	3.5
255.21190	0.4
257.19083	0.7
259.16922	0.5
259.20633	1.4
261.18634	0.5
265.19464	1.1
270.20016	0.4
271.08142	0.5
271.20596	5.3
273.18466	0.4
273.22028	0.5
275.20154	0.7
283.20566	3.3
289.09195	0.3
289.21646	5.1
301.21634	6.3
319.22699	16.4
323.05658	0.2
337.23743	100.0
338.24020	1.1
383.17401	0.3
445.25739	0.2
480.66833	0.2
499.29080	3.5
523.29034	0.3
581.33191	0.8
589.29669	0.3
607.31061	1.6
621.52258	0.3
625.32080	2.2
643.24561	0.3
643.33368	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	643.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.01880	10.5
55.05516	16.4
57.03189	2.5
57.03440	22.6
62.55399	2.5
64.18040	2.1
65.03927	5.9
67.05507	77.7
69.07059	11.2
71.04994	4.8
71.16986	5.0
77.79533	1.7
79.05492	42.5
81.03407	2.2
81.07057	56.7
83.04990	4.8
83.08614	5.7
85.06553	11.2
86.34274	1.8
91.05485	35.0
93.07050	43.7
95.04974	53.4
95.08614	35.3
97.06549	7.3
97.10162	2.6
105.04539	1.8
105.07040	25.6
106.98874	2.0
107.04931	10.6
107.08598	29.9
109.05805	4.1
109.06525	60.1
109.10162	14.4
111.08035	3.7
113.06013	32.7
117.07055	12.3
119.08596	13.7
121.06541	4.8
121.10152	16.8
123.08103	4.1
123.11708	4.5
128.06165	2.4
129.06989	6.8
131.08591	19.8
133.06424	3.4
133.10085	12.8
135.08055	45.0
135.11678	8.4
137.09590	2.2
143.08630	9.4
143.09596	2.0
145.10106	15.2
147.08055	6.4
147.11720	6.8
149.09608	7.5
149.13269	4.2
151.11266	2.6
157.10135	6.2
159.11700	7.1
161.09598	7.7
161.13264	3.9
163.11168	4.3
171.11703	3.4
173.13200	2.0
175.11252	4.1
175.14873	2.5
177.12703	4.5
181.10100	2.7
183.11722	2.2
185.13284	4.5
195.13681	2.3
196.65347	2.5
199.14798	4.2
204.39825	1.9
217.15897	12.9
225.16751	2.2
237.16402	2.2
273.18521	38.5
291.19550	100.0
335.25797	69.5
347.22162	7.0
364.76285	2.5
365.23373	13.9
483.22348	2.7
519.19305	2.8
537.20319	3.4
549.20642	3.1
587.48364	2.3
607.43286	8.1
625.22449	12.4
625.44678	38.9
626.43787	2.1
643.23175	46.8
643.44958	2.8
644.23059	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	643.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.5
55.01882	12.2
55.05280	1.9
55.05516	32.5
57.03428	8.0
57.07076	4.0
59.61742	2.0
65.03918	4.3
66.17740	1.6
67.05508	59.1
69.03419	4.7
69.04555	2.1
69.06773	2.2
69.07076	19.0
69.26418	18.6
71.04980	7.0
77.03854	1.9
79.05496	63.0
81.03410	8.3
81.07060	100.0
83.04993	17.3
83.08617	11.8
85.02901	5.3
85.06542	3.0
91.05484	34.3
93.06493	3.0
93.07050	56.4
95.04974	16.2
95.08605	39.3
97.06536	8.0
97.10163	16.3
99.04462	4.2
99.08075	3.8
103.05494	2.0
103.09374	1.9
105.07043	27.8
107.04942	7.3
107.07882	2.4
107.08601	31.3
109.06503	8.5
109.10162	18.7
111.04449	19.2
111.08099	8.1
115.05492	1.9
117.07031	13.0
119.08581	22.1
121.06493	8.0
121.09447	2.2
121.10162	22.5
123.08071	24.2
123.11710	6.0
125.09630	13.0
128.06248	2.0
129.07037	4.4
131.08578	15.2
133.10190	13.9
135.08015	4.4
135.11705	15.7
137.09624	5.4
141.06917	2.7
143.08562	7.2
145.10115	16.7
147.08044	9.3
147.11703	9.7
149.09602	7.0
149.13293	5.5
151.11162	1.8
153.09082	3.6
153.12720	6.9
155.08533	1.9
157.10135	3.8
159.11665	8.6
161.09660	2.3
161.13286	3.8
163.11191	20.6
165.09138	4.3
169.10168	2.5
171.11595	2.8
173.09596	3.2
173.13252	5.1
175.11218	4.5
175.14925	2.3
177.12715	3.0
181.12254	8.2
185.13301	2.5
189.11224	18.2
191.10634	7.8
193.12268	3.0
209.11873	3.0
211.14821	2.2
223.13338	6.9
227.12816	20.3
245.19194	3.3
255.17487	2.6
261.22089	5.9
273.18478	21.7
283.15256	6.0
291.19580	59.8
309.20462	4.0
317.24667	3.1
335.25824	50.4
347.22174	3.8
352.05899	2.0
365.23245	19.3
367.24805	2.1
441.52640	2.2
486.82227	2.1
527.36877	2.2
561.36987	2.0
601.26477	2.7
625.34528	2.4
625.44574	31.1
643.27222	2.3
643.45728	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	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.6
53.03938	5.2
53.94230	1.2
55.01880	7.5
55.05516	32.5
57.03446	8.2
57.07071	5.5
65.03941	2.4
67.05509	78.5
69.03425	2.6
69.07071	29.1
69.79755	1.3
70.92487	3.3
71.04980	5.7
71.08643	1.8
73.49295	1.4
77.03905	1.6
79.05495	60.8
81.03404	3.2
81.07064	100.0
83.04994	7.2
83.08620	18.2
85.02888	1.6
85.06534	4.7
91.05489	71.8
93.07052	68.7
95.04966	11.2
95.08615	56.0
97.06535	10.7
97.10171	6.1
99.08083	3.4
103.05470	1.4
105.04519	2.2
105.07043	70.7
107.05003	6.5
107.08602	38.9
109.06522	13.4
109.09475	2.0
109.10165	25.9
111.08116	7.4
115.05466	3.6
117.07030	23.7
119.08593	64.6
119.25401	1.2
121.06513	4.8
121.09328	2.5
121.10152	31.9
123.08072	8.3
123.11707	9.5
125.09620	4.1
127.07598	1.4
128.06247	2.5
129.07021	16.5
130.07761	2.2
131.08585	35.4
132.57979	1.4
133.06450	2.1
133.10143	46.8
135.08104	7.1
135.11697	18.5
137.09610	6.4
137.13228	1.8
139.11203	2.8
141.07018	3.2
142.07793	2.2
143.08574	13.9
144.09288	1.3
145.10141	32.5
147.07991	4.2
147.11702	44.0
149.09625	8.6
149.13269	13.2
151.11197	3.8
155.08537	5.8
157.10144	12.5
157.11366	1.8
157.58510	1.3
159.08083	2.8
159.10466	2.3
159.11707	28.2
161.09575	2.5
161.13271	29.1
163.11188	7.1
163.14798	4.5
165.09077	1.8
165.12764	5.7
167.08534	2.3
169.10159	7.7
171.11700	14.2
173.11896	2.6
173.13248	15.2
175.11189	3.8
175.14836	13.8
177.12775	2.5
179.14383	1.8
181.10179	2.2
183.11743	6.8
185.11855	1.8
185.13281	10.8
187.11243	1.8
187.14844	6.9
189.11267	2.1
189.12769	2.2
193.12234	2.1
195.11708	3.3
197.13301	6.3
199.14868	6.3
201.12703	2.7
207.11629	1.7
209.13162	1.5
211.14893	3.0
213.16402	3.5
215.17982	2.7
217.15872	1.4
223.14911	1.6
229.19403	3.4
231.21053	5.5
233.15407	1.7
239.17981	4.0
241.19522	25.5
243.21085	2.2
243.56233	1.5
247.20674	3.4
255.17560	1.8
257.18994	12.8
258.75262	1.3
259.20587	57.3
261.22229	1.6
264.65643	1.6
267.15863	1.7
273.18546	5.5
275.20090	55.2
277.21622	3.2
289.21634	1.8
291.19678	2.2
293.21112	9.7
315.23273	5.6
333.24261	63.3
333.28293	3.1
335.25854	5.6
347.21967	1.9
349.23862	8.9
351.25385	4.5
365.23239	3.8
367.24814	32.6
379.29791	1.4
391.30124	1.5
435.32523	1.5
513.35071	2.6
515.37970	8.0
533.39636	5.2
551.40955	5.3
569.41040	1.8
607.43665	13.2
625.34546	2.2
625.44519	31.7
643.26965	3.7
643.45721	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	643.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02349	0.6
53.03939	1.4
55.01871	2.9
55.05274	1.0
55.05517	12.7
57.03431	4.1
57.07067	1.8
65.03930	1.6
66.03770	0.6
67.05509	32.9
69.03431	1.2
69.06734	0.9
69.07070	10.9
71.04979	2.5
71.53535	0.9
71.53918	0.8
77.03899	0.7
79.05498	24.1
81.03416	1.2
81.07063	31.0
83.04964	1.9
83.08631	6.4
85.06549	2.5
89.06045	0.7
91.05484	22.8
93.07046	24.8
95.04968	4.1
95.08612	21.8
97.06551	5.1
97.10152	4.1
99.08099	1.4
103.05407	0.9
105.04498	1.0
105.07036	22.9
107.04957	3.0
107.08598	16.2
109.06545	3.4
109.10158	11.5
111.08091	2.0
115.05407	0.8
117.07015	7.8
119.07803	1.4
119.08588	19.7
121.06493	2.4
121.10142	10.7
123.08074	2.4
123.11707	3.0
123.26746	0.7
125.09626	3.7
127.07564	0.8
128.06258	1.7
129.07036	5.4
130.07848	0.9
131.08565	12.1
133.10135	14.2
135.08064	1.9
135.11693	6.4
137.09618	2.2
139.11227	1.8
141.07001	1.9
142.07790	1.0
143.08582	6.0
145.06453	1.1
145.10126	11.2
147.08115	1.2
147.11690	11.9
149.09613	2.8
149.13266	3.3
151.09459	0.8
151.11124	1.1
153.07176	0.7
155.08557	3.0
157.10147	5.9
159.08080	1.0
159.11691	8.3
161.09645	1.6
161.13252	6.4
163.11165	1.7
165.12834	1.6
167.08623	1.5
169.10144	4.7
171.11726	5.7
173.09729	0.9
173.11797	1.7
173.13281	6.4
175.11221	1.1
175.14891	4.0
177.12773	1.9
179.08691	0.9
181.10136	2.1
183.11722	4.1
185.13251	5.3
187.14822	2.5
189.11220	1.8
189.12764	1.0
191.14445	0.9
192.09492	0.7
193.12338	0.8
195.11676	1.5
197.13324	2.1
199.14923	2.5
201.16457	1.0
207.11656	1.0
209.13260	1.6
211.14876	1.5
213.16443	1.9
223.14967	1.4
225.16470	1.0
227.12914	1.7
229.14334	2.1
229.19589	0.8
231.21068	1.6
239.18077	1.8
241.19545	6.4
257.19089	3.1
259.15475	1.2
259.20590	13.2
261.22180	0.8
267.15909	0.9
273.18546	2.0
275.20099	9.1
277.21591	2.0
279.06119	1.0
291.19537	1.7
293.21066	1.5
295.68875	0.7
315.23224	1.8
317.24875	0.8
333.24295	11.3
335.25906	2.4
347.22021	1.1
349.23740	3.3
351.24890	0.9
360.66736	0.8
365.23526	0.8
367.24850	8.5
367.29489	1.3
397.13046	2.1
398.13815	1.5
410.13931	3.0
411.14523	5.8
412.15015	4.5
413.16229	2.8
423.14929	1.7
423.32697	1.1
424.10815	1.0
424.15787	1.6
425.11545	1.0
425.16232	12.0
426.17032	9.6
427.17380	2.7
428.18372	1.6
437.11850	1.2
438.13190	3.0
439.13525	16.2
440.13617	2.2
440.19318	5.6
441.19312	38.1
441.33008	1.1
442.19745	5.0
452.14264	4.1
453.15378	18.4
454.15689	6.2
463.13977	1.1
467.17148	27.0
468.17804	17.8
469.18915	15.0
470.18698	1.9
480.17264	1.1
481.14685	13.6
482.15085	4.8
495.17047	3.0
496.17184	17.4
497.17700	4.3
498.18457	1.0
498.26178	1.0
499.19763	2.0
501.36710	1.1
508.19583	1.0
509.18512	2.6
512.20398	1.5
513.35742	1.7
514.22180	3.1
515.37610	4.0
523.19141	2.1
527.22699	2.9
527.37494	2.1
533.39825	2.8
537.18066	0.9
542.21118	1.4
551.41107	2.8
555.22479	31.5
556.22675	4.7
583.21930	100.0
584.22211	18.4
587.24750	2.0
607.43536	8.1
611.21265	2.5
615.24408	13.2
616.24884	2.1
625.27563	0.9
625.44757	17.5
643.23926	93.5
643.45734	11.8
644.24054	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	644.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18454	0.2
53.03939	0.8
53.38441	0.3
55.01856	1.0
55.05514	3.3
57.03438	3.7
57.22268	0.2
57.28263	0.2
61.02654	0.4
61.02929	5.2
67.05509	4.9
69.03431	1.6
69.07076	1.7
70.06576	0.6
70.49168	0.9
71.01316	0.3
71.04989	1.4
73.02917	1.5
79.05492	5.9
81.03421	21.2
81.07056	6.5
83.04552	0.4
83.04990	4.2
83.08158	0.5
83.08626	7.2
85.02906	12.4
85.06522	0.5
91.03425	0.3
91.03967	4.2
91.05483	6.7
93.07046	3.9
95.04968	8.0
95.08616	2.0
96.04480	0.3
97.02916	3.5
97.06529	1.0
97.10165	1.3
99.04451	0.6
105.07034	5.0
107.04966	1.8
107.08591	1.6
109.02835	0.4
109.06509	1.1
109.10184	0.6
111.04434	0.7
111.08092	4.2
113.06007	0.7
115.03879	0.5
115.05470	0.4
119.04962	0.4
119.08586	5.7
121.06482	0.6
121.10145	2.5
123.08064	0.8
123.11684	0.4
123.75033	0.3
127.03938	1.4
129.07016	3.5
131.08562	4.1
133.06482	0.9
133.10139	4.0
137.09578	0.9
142.07733	0.8
145.04958	2.1
145.10074	0.4
147.08083	0.8
147.11696	5.0
149.09630	1.9
151.11124	0.3
157.10144	4.8
163.06007	3.4
165.12730	1.4
175.11182	6.7
184.07346	0.4
193.12250	21.5
194.12650	0.3
211.13303	15.1
229.14268	0.5
266.85461	0.3
267.15936	6.7
272.61499	0.4
285.16971	100.0
286.17209	1.1
300.41061	0.3
375.17801	0.3
411.19998	0.6
429.21246	2.5
447.22260	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	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14166	0.3
53.03935	0.7
55.01858	1.0
55.05267	0.5
55.05510	4.6
57.03196	0.4
57.03440	4.1
61.02929	8.0
65.03932	0.5
66.27652	0.3
66.87291	0.3
67.05505	6.7
69.03432	3.1
69.07063	2.1
70.06583	0.6
71.04974	1.5
71.48506	0.4
71.48853	0.3
73.02917	2.8
76.64501	0.3
79.05492	7.0
81.03419	33.2
81.07056	8.5
83.04984	5.3
83.08620	12.8
83.09126	0.5
85.02905	15.6
85.06534	0.7
86.09708	0.5
87.04426	0.4
91.03961	6.4
91.05481	8.9
93.07045	4.3
95.04375	0.7
95.04970	12.7
95.08601	2.4
97.02904	6.0
97.06523	1.4
97.10149	1.5
99.04452	0.7
99.08102	0.5
99.86977	0.3
100.41026	0.3
105.07027	6.9
107.04945	2.2
107.08599	2.5
107.64216	0.3
109.02896	0.5
109.06522	1.3
109.10146	1.1
111.04446	1.3
111.08079	6.2
113.05994	0.8
115.03915	0.5
115.05447	0.7
117.07005	0.4
119.04915	0.5
119.07815	0.5
119.08598	6.2
121.06503	0.7
121.10152	3.7
123.04443	0.4
123.08072	1.0
123.11732	0.6
125.09581	0.5
127.03918	2.3
129.06989	3.9
131.08578	4.2
133.06485	1.3
133.10130	4.9
142.07790	0.9
145.04953	3.1
145.10136	0.6
147.04471	0.4
147.08084	1.6
147.11700	7.0
149.09630	3.4
157.10141	7.0
163.06009	4.0
165.12787	1.8
175.11197	8.4
193.12250	33.9
211.13290	27.2
229.14351	1.3
239.09380	0.3
248.50162	0.3
267.15918	13.9
285.16962	100.0
286.17288	1.3
303.18008	1.1
309.17010	0.9
340.41226	0.3
379.64813	0.3
411.20126	0.6
429.21167	3.0
447.22125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.1
52.03179	0.1
53.03946	0.4
55.01870	0.5
55.05507	0.1
57.03431	0.4
61.02946	0.2
65.03947	1.7
67.05508	0.8
69.03438	1.8
69.34303	1.1
70.06599	0.2
71.04991	0.4
73.02923	0.2
81.03423	5.0
85.02908	3.0
86.09711	0.2
91.05486	0.3
93.03413	2.5
94.46605	0.2
95.04971	0.3
97.02893	2.9
99.04469	0.6
103.03930	0.2
108.02118	1.0
109.02894	2.6
109.03609	0.3
110.03666	0.4
111.04452	2.9
111.05219	0.2
112.01589	0.2
119.04954	0.1
123.04467	0.2
125.06006	3.5
125.09030	0.1
127.03916	1.3
136.01563	0.3
136.06229	0.3
137.06000	0.9
141.05505	1.0
145.04979	0.6
145.93909	0.1
151.03914	100.0
151.04947	4.9
152.04228	0.3
163.03867	0.2
165.05499	0.2
165.36418	0.1
169.04973	15.7
173.89531	0.1
177.05472	0.2
179.07071	0.4
180.45099	0.1
184.07281	0.1
205.06622	0.2
207.06523	0.2
211.05974	0.2
221.07988	0.3
245.08180	0.5
250.53427	0.1
253.07108	0.4
263.09167	0.6
287.14725	0.2
295.08148	6.6
299.11133	0.2
313.09180	18.6
314.09821	0.2
431.13348	0.2
449.14346	0.2
636.29584	0.2
641.53253	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	646.504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.5
53.95201	3.1
55.05516	26.2
56.28574	3.1
57.03431	15.3
65.03928	5.2
67.05506	100.0
69.07072	32.2
70.14706	2.7
71.05001	5.6
79.05498	75.2
81.03435	4.0
81.06592	5.3
81.07060	89.5
82.12969	3.2
83.08611	12.8
85.06533	4.4
91.05479	80.8
93.07046	97.0
95.04959	8.0
95.08606	66.9
97.06531	5.4
97.10168	6.5
99.08045	3.7
103.05476	3.0
105.07037	76.6
107.08597	48.5
109.10164	30.2
111.08068	4.9
117.07036	20.3
119.08593	70.0
121.10136	36.8
123.11707	11.7
129.06992	11.5
131.08572	33.7
133.10130	64.2
135.08110	3.2
135.11720	27.0
143.08549	8.4
145.10133	32.1
147.11697	38.7
149.13278	16.6
151.11182	3.1
157.10176	15.3
159.11694	28.0
161.13251	25.8
163.11195	3.2
171.11685	10.6
173.13263	12.3
175.14822	11.3
183.11798	4.5
185.13206	14.2
187.14795	6.8
191.80693	3.2
199.14862	7.9
215.17967	3.3
231.21118	9.0
241.19508	22.0
243.21182	4.1
257.19040	7.0
259.20578	57.7
261.22195	10.3
315.23254	6.7
319.67841	3.7
321.62570	3.0
327.90955	2.9
333.24207	49.6
335.25830	74.0
337.27353	5.3
401.45346	3.3
437.18369	2.9
473.27350	3.6
519.41803	4.8
586.03247	3.3
593.45532	8.0
611.46564	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	647.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.0
53.03949	3.2
55.01880	5.3
56.96600	0.6
57.03441	13.5
61.02937	2.5
67.05514	2.2
69.03436	68.0
71.01357	2.5
71.04993	2.6
71.51607	0.8
73.02921	3.5
79.05473	0.7
81.03426	19.0
81.07049	0.8
83.01360	1.3
85.02912	42.4
86.09692	0.8
87.04487	1.0
91.05486	0.8
93.07057	0.5
95.04967	2.0
97.02898	60.3
98.97593	0.8
99.00821	10.9
99.04463	13.0
101.02394	4.9
105.07074	0.6
107.04974	3.2
109.02888	47.3
111.04468	0.7
113.02362	0.6
115.03945	2.0
117.01859	2.6
121.02927	0.5
123.04422	1.0
125.02360	1.1
127.03925	100.0
131.00253	0.9
137.02348	4.6
137.05952	0.8
139.03906	0.6
145.04973	52.3
146.05263	0.5
147.04349	0.5
149.01253	0.6
149.02283	0.7
151.03894	2.4
155.03362	0.6
162.48016	0.5
163.03949	1.1
163.05963	0.5
163.43796	0.5
165.01968	0.5
165.07047	0.8
169.04915	0.7
171.06697	1.4
177.05484	0.8
179.03413	0.5
180.07274	1.3
183.08075	1.4
189.05418	0.5
193.12221	1.4
194.12573	0.8
195.02800	0.8
197.04510	0.8
207.08037	2.0
211.07561	1.6
211.13338	0.8
212.13828	1.0
225.03993	3.3
228.07738	0.8
234.06686	0.8
235.07652	5.2
241.06941	0.7
242.09358	2.6
243.05019	10.2
243.10150	2.2
245.08162	0.7
252.09386	1.7
252.59616	1.3
253.07039	0.5
261.03778	0.6
261.06143	5.6
262.06238	1.5
263.07022	4.1
267.10306	2.4
268.16339	0.5
277.08679	1.0
285.10260	0.6
285.17014	3.2
286.17331	2.9
287.17462	2.6
288.17780	1.3
291.06470	0.5
295.09644	7.7
299.07700	1.2
305.08002	1.4
323.09116	7.8
333.12051	5.4
333.62204	4.6
334.12045	1.2
339.07135	9.2
341.09918	2.1
351.11963	0.8
369.08087	1.7
387.09317	5.7
405.10339	20.2
469.96939	0.5
485.14594	2.3
632.44824	0.5
647.24414	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.8
53.03948	5.3
55.01861	2.5
55.05515	18.2
55.05788	1.0
55.44709	0.6
57.03428	3.1
57.07081	4.9
59.04995	1.9
60.23570	0.6
61.02921	1.2
65.03941	1.7
67.05508	30.4
69.03434	14.2
69.07072	34.9
70.06593	1.6
71.04985	6.1
71.08646	1.5
71.52062	1.4
73.02879	1.0
73.06565	0.7
79.05497	20.1
81.03426	19.1
81.07059	100.0
83.04986	5.1
83.08621	9.1
84.04530	0.8
85.02908	25.4
85.06542	8.2
86.36168	0.7
91.05481	13.1
92.87221	0.8
93.07048	45.3
95.04985	4.6
95.08611	80.9
97.02901	11.4
97.06538	12.6
97.10168	18.6
99.04460	19.1
99.08084	4.1
101.06013	0.7
101.16701	0.7
103.03950	13.1
103.04636	0.7
103.05454	1.3
105.04579	0.9
105.07031	16.7
107.04988	1.0
107.08594	50.0
109.02888	19.0
109.03465	0.4
109.06558	3.8
109.10159	33.6
111.04441	1.4
111.08090	16.2
111.11718	8.7
113.06060	1.2
117.05508	0.9
117.07040	1.5
119.04927	1.0
119.08586	13.1
121.06524	3.0
121.10149	29.6
123.08101	3.1
123.11712	47.3
125.09653	3.7
125.13219	0.9
127.03922	43.4
127.07560	0.9
129.06985	0.8
131.08553	3.5
133.10133	12.4
135.08076	2.5
135.11699	16.9
137.02380	1.6
137.06010	1.2
137.09644	2.7
137.13261	18.1
139.11182	10.8
141.12724	1.5
143.08569	2.3
143.10748	0.8
145.04979	9.3
145.06088	1.1
145.06480	0.7
145.10132	3.9
147.04445	1.2
147.08057	1.0
147.11690	9.2
149.09708	1.9
149.13264	48.6
151.11177	5.2
151.14842	2.7
153.12773	5.9
155.10722	0.8
155.14355	2.8
157.10188	3.1
157.12244	9.2
159.11681	3.5
161.09695	1.4
161.13268	5.6
163.03992	0.9
163.06067	3.2
163.07520	0.8
163.11230	2.2
163.14839	10.5
165.09154	1.3
165.12798	3.6
167.10771	0.8
167.14392	2.6
169.10201	1.0
169.12209	3.9
171.08124	1.4
171.11739	2.5
171.13844	3.1
173.09669	1.0
173.13354	2.6
175.11217	1.5
175.14888	3.4
177.12805	2.1
177.16423	2.1
179.14359	2.0
181.12340	0.9
183.11771	1.9
183.13760	1.0
185.09624	1.0
185.13321	1.2
187.06027	10.8
187.07504	1.1
187.11256	2.3
187.13351	7.6
187.14893	1.8
189.12816	1.0
189.16460	2.8
191.14333	1.7
191.18021	1.0
193.15913	1.2
195.11707	0.8
195.13823	2.0
195.17413	0.7
197.13437	0.9
199.14839	1.1
201.16423	1.5
203.11101	1.0
203.12807	4.3
203.18024	2.2
205.07135	1.2
207.17500	1.7
209.13568	1.0
209.15431	3.2
211.16776	0.7
213.12939	1.0
213.16441	1.7
215.14401	1.2
215.17938	1.2
217.19740	0.8
219.17490	1.0
221.13434	1.0
221.15526	0.9
223.16965	2.6
227.14317	1.1
227.17947	1.4
231.17485	1.5
234.41618	0.8
235.17035	0.9
237.18396	3.5
249.16388	1.1
249.18521	4.4
253.07141	1.6
253.17876	1.3
255.17461	0.8
257.19281	0.9
257.22498	0.8
259.24365	1.9
265.15884	1.2
265.25455	1.1
267.19754	1.1
269.22778	2.2
271.08163	6.4
275.23865	2.4
277.22644	0.8
277.25250	3.9
279.23309	0.9
283.17029	4.6
285.18851	0.9
287.23679	6.1
289.09268	3.2
293.24747	9.7
295.16998	3.1
299.05588	0.9
301.17981	1.9
303.23068	1.0
305.24759	49.4
307.10541	1.0
307.26382	1.6
311.25977	1.9
313.03653	1.1
313.17923	4.1
320.23209	0.8
321.24063	0.9
323.25793	18.9
324.26270	0.7
331.19131	4.6
341.26819	1.6
355.08255	1.0
399.10815	7.0
399.27020	2.1
401.27090	1.1
413.27014	3.2
419.28091	1.6
431.27805	4.1
437.29187	2.2
439.19934	0.8
449.29001	2.3
455.30118	1.4
467.30057	1.5
475.23389	1.6
497.31360	1.7
509.31314	1.8
527.31903	3.3
547.94366	0.7
563.32220	1.1
575.32086	1.3
581.33362	1.7
593.33423	2.8
611.34454	4.2
629.34772	1.2
647.14093	0.9
647.33716	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	650.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08180	0.3
55.05522	0.4
57.03414	0.6
57.07056	0.4
60.08148	1.1
64.57352	0.3
67.05499	1.0
69.07085	0.4
71.07344	0.4
71.54175	0.6
79.05473	0.6
81.07049	0.9
86.09715	3.8
88.56585	0.3
91.05446	0.9
93.07026	0.8
95.08611	0.7
98.97879	0.5
98.98473	5.3
104.10704	0.4
105.07029	0.5
107.08608	0.4
118.06516	1.0
125.00013	14.4
128.06198	0.3
131.07405	0.4
131.08496	0.4
132.08057	1.1
133.08852	1.5
133.10014	0.3
144.08092	3.0
146.06024	2.5
158.05995	0.5
158.09662	7.6
159.10445	9.0
160.07581	0.5
161.08359	0.8
172.07582	18.4
177.11372	0.4
184.07350	13.6
184.09018	0.7
186.09160	1.3
187.09915	2.4
188.14362	1.9
190.08720	0.6
190.12271	7.4
198.12816	0.4
200.10612	0.5
208.43013	0.4
216.13846	63.1
216.27988	0.4
217.14143	0.5
225.38498	0.3
234.14920	6.0
314.11523	100.0
371.66827	0.4
612.54486	0.4
632.37238	1.5
650.38196	2.1
650.46942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41439	0.1
56.05037	0.5
57.07063	0.2
58.06628	0.4
59.07391	0.2
60.08167	6.5
62.47010	0.1
67.05507	0.6
71.07376	3.3
81.07034	0.2
86.09709	31.1
98.21526	0.3
98.97872	0.2
98.98472	3.2
104.10743	2.2
109.10195	0.3
110.13831	0.1
125.00008	20.8
172.89134	0.1
184.07344	100.0
185.07683	0.2
412.21384	0.1
650.43939	9.6
651.43842	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	650.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.2
56.05034	0.6
57.07073	0.1
58.06623	0.5
59.07412	0.1
60.08166	5.8
67.05511	0.7
71.07375	3.4
77.04752	0.1
79.05495	0.1
81.03413	0.1
81.07044	0.2
83.90968	0.1
86.09710	30.9
91.05474	0.2
95.08605	0.4
98.64134	0.1
98.98466	2.8
102.85649	0.1
104.10749	2.3
105.07013	0.1
109.10171	0.4
125.00010	19.6
125.34798	0.1
140.15846	0.1
153.48010	0.1
184.07347	100.0
185.07715	0.3
195.04666	0.1
202.15929	0.2
260.28345	0.1
300.13721	0.2
367.44296	0.1
369.91888	0.1
437.89246	0.1
496.34036	0.2
650.43933	8.9
651.44196	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	651.2812
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
55.05448	0.6
55.51264	0.5
57.07016	0.6
67.05404	1.5
67.05733	0.6
69.16032	0.5
81.06963	0.7
86.09624	0.5
91.05415	0.6
93.06983	0.6
95.08480	2.4
96.08866	0.6
109.10101	0.7
118.71164	0.5
119.08471	0.7
124.99941	0.7
163.48407	0.5
172.58966	0.6
184.07355	2.9
187.31522	0.5
215.12599	1.5
313.27316	0.8
314.27609	0.5
374.16760	0.6
377.17746	0.6
385.14578	0.8
387.16092	0.9
388.17606	0.8
389.17896	0.6
391.19171	1.4
392.20020	0.6
397.14896	0.6
399.16153	2.0
400.16998	2.7
401.17657	3.7
402.18655	1.0
403.19415	0.7
404.20105	0.7
405.20914	0.8
406.21304	1.0
407.22318	3.1
413.18042	2.6
414.18594	3.7
415.19400	7.7
416.20282	0.9
417.21109	1.1
418.18173	0.6
419.18277	0.8
425.17563	1.1
427.19131	1.7
428.20447	3.7
429.15857	0.8
429.21280	8.9
430.22156	3.1
431.18329	1.0
434.21002	1.4
435.21677	1.5
439.19153	1.0
441.17059	1.6
442.17502	1.3
443.17905	2.4
443.22400	4.5
444.19388	3.8
444.23840	1.8
445.20258	3.7
446.21048	1.1
447.18149	1.7
453.35468	0.7
455.18896	0.7
456.19315	1.5
457.20505	6.5
458.21307	3.8
459.18381	1.6
470.17352	0.7
471.22202	7.5
472.23282	6.0
473.19495	5.7
474.20557	2.1
475.17520	0.9
477.22324	0.6
483.17932	0.9
484.19046	0.8
485.19781	3.1
486.20523	5.7
487.22159	3.3
488.22296	1.3
489.18292	0.9
489.23685	1.3
490.19937	2.9
499.21439	12.8
500.23172	3.4
501.19064	1.0
502.19714	1.1
503.24551	5.1
505.22250	0.6
514.20081	1.3
516.21539	1.5
517.22351	7.1
521.25983	1.1
527.21057	2.7
528.21899	0.7
530.22809	0.8
531.23969	15.6
543.23938	1.9
549.25043	7.6
559.23419	83.8
560.23865	1.8
577.23419	0.6
587.22870	16.0
591.26324	1.6
592.27112	1.0
619.25531	100.0
620.25769	2.0
651.28149	29.7
652.28412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.8
55.01876	3.5
55.05515	23.7
57.03439	9.8
57.07079	3.5
59.04993	3.1
65.03932	4.2
67.05508	100.0
69.03432	24.1
69.07069	14.4
69.21215	1.0
69.41534	3.2
69.41943	5.7
71.01347	1.6
71.04986	5.4
71.08627	1.7
77.03950	1.5
79.05499	27.9
81.03423	35.6
81.07062	48.3
83.04983	16.5
83.08628	13.2
83.89812	1.1
85.02910	5.9
85.06547	1.9
86.09715	3.3
87.04461	1.9
91.05488	25.1
93.06479	2.5
93.07047	30.2
95.04990	7.5
95.08612	35.4
97.02886	11.5
97.06535	4.8
97.10177	9.4
99.04459	4.6
103.03933	1.4
103.05437	1.5
105.07030	23.1
107.04955	4.9
107.08601	21.1
109.02899	6.7
109.06523	4.8
109.10162	61.3
111.04460	4.8
111.08096	4.3
114.06299	1.1
115.05462	2.7
117.07007	13.5
119.08590	17.4
121.06522	2.6
121.10148	15.5
123.08086	3.3
123.11725	5.2
125.00034	1.6
125.09669	9.9
127.03923	5.6
128.06236	2.6
129.05482	9.5
129.07002	8.3
131.04904	1.5
131.08559	16.0
133.06496	2.6
133.10129	11.4
135.08061	5.1
135.11676	9.8
137.09613	4.9
139.11130	2.2
141.06958	2.2
142.07779	2.5
143.08572	7.7
145.06514	3.4
145.10118	13.9
147.08044	4.5
147.11670	10.0
149.09656	3.4
149.13268	3.6
151.11172	1.2
155.08574	5.3
155.10686	4.9
157.06511	2.9
157.10159	7.4
159.08035	2.2
159.11696	9.9
161.09602	3.3
161.13271	5.2
163.11185	2.5
167.08542	2.4
169.10132	4.7
171.08020	2.6
171.11700	7.4
173.09584	1.2
173.11761	16.4
173.13297	5.9
175.11201	2.7
175.14842	1.3
177.12711	2.3
180.09422	1.6
181.10112	2.2
183.11693	4.7
184.07375	7.1
185.07640	1.8
185.13223	6.9
187.11244	1.9
187.14812	2.9
189.11192	7.0
189.12685	2.5
189.16451	1.6
193.12328	1.2
195.11763	1.9
197.13254	2.1
199.14847	1.8
205.15910	1.2
207.13797	2.0
209.13318	2.1
213.12791	2.1
225.12791	1.5
227.12729	8.9
229.14342	35.2
243.13759	1.4
243.21129	2.5
245.13940	2.1
257.18970	1.3
259.20642	2.5
261.22232	4.6
263.23761	2.2
273.22150	2.0
277.21597	2.4
291.23306	2.0
292.43042	1.2
297.22366	1.7
299.14685	2.6
301.21695	5.2
303.23090	2.0
313.21719	1.4
315.23312	1.5
319.22653	3.6
327.23206	3.1
333.24191	1.5
335.25867	13.4
337.27560	6.5
341.24719	3.5
345.24252	2.6
351.23056	6.6
369.24277	11.7
371.17041	3.4
371.25934	1.3
373.18405	6.6
387.25330	7.9
405.26340	4.1
423.27179	1.4
443.27676	3.6
461.28937	8.6
479.30069	5.6
489.35797	7.5
507.36493	3.0
512.70758	1.3
547.36298	2.6
559.36292	2.2
579.36816	2.1
597.37830	5.9
615.38995	9.1
633.40002	38.4
651.40430	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	651.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32914	1.6
52.26144	1.6
53.03951	7.3
55.01866	4.1
55.05515	23.4
57.03446	9.5
57.07072	5.8
59.05005	3.1
60.60728	1.6
65.03936	3.7
67.05510	100.0
67.15543	1.4
69.03434	23.4
69.06762	2.0
69.07068	15.3
69.32392	5.0
69.32809	6.2
71.01349	2.2
71.04984	6.1
74.80975	1.4
79.05498	31.2
81.03423	27.6
81.07062	42.9
83.04987	10.7
83.08623	13.9
85.02914	4.7
85.06543	4.8
86.09696	5.6
91.05495	26.6
93.07041	28.3
94.33768	1.5
95.04973	8.4
95.08617	28.7
97.02881	7.3
97.06525	5.3
97.10178	9.9
99.04447	4.2
99.08116	1.8
103.03971	1.7
105.07042	22.5
107.04978	3.3
107.08607	19.8
109.02889	4.8
109.06524	5.2
109.10164	58.5
111.04449	4.7
111.08081	3.4
111.11675	1.6
117.07050	11.6
119.08604	19.6
121.06515	4.0
121.10159	13.0
123.04452	2.8
123.08057	2.9
123.11716	5.2
125.00022	5.3
125.09607	7.7
127.03923	5.4
128.06241	2.9
129.05481	6.1
129.06995	8.9
131.08569	15.6
133.06534	2.3
133.10115	16.5
135.08075	4.3
135.11700	7.8
137.09586	4.7
139.11232	1.8
141.07016	2.8
142.07773	2.0
143.08530	7.3
145.06483	2.4
145.10129	13.0
147.08064	5.3
147.11720	7.9
149.09634	2.8
149.13284	3.2
155.08575	2.2
155.10692	4.2
157.10121	5.5
159.08101	3.0
159.11693	8.6
161.13281	3.7
163.11250	1.7
169.10136	2.6
171.08043	2.1
171.11673	4.4
173.11755	16.8
173.13289	5.7
175.11162	3.6
175.14792	2.9
176.03191	1.7
177.12778	2.3
179.10715	1.6
183.11714	4.3
184.07350	19.8
185.07755	3.5
185.09569	2.5
185.13217	4.2
187.11111	2.7
187.14845	3.4
189.11185	5.1
189.12764	1.8
193.12215	1.8
195.11716	2.3
197.13309	3.3
199.14865	2.8
201.12785	3.0
209.13203	2.6
213.12900	1.6
215.14240	1.6
223.14851	2.4
227.12753	7.9
229.12152	2.3
229.14368	38.4
259.20386	2.0
261.22156	4.4
273.22116	2.1
277.21738	1.8
289.21762	1.8
299.14981	2.3
301.21552	4.9
303.23187	2.3
319.22476	1.8
327.23239	2.1
335.25790	6.0
337.27390	3.5
341.24756	2.4
345.24207	4.3
351.23141	5.2
353.24503	1.8
369.24173	13.0
373.18552	5.1
377.27374	1.5
387.25253	8.5
405.26340	4.0
425.26920	1.9
443.27838	3.2
461.29095	6.6
479.30029	4.0
487.33939	2.4
489.35669	7.0
526.88684	1.7
573.37909	2.3
585.37604	2.3
597.37939	10.3
615.38800	10.1
633.40112	36.2
651.41217	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.3
55.01857	4.5
55.05517	24.7
57.03452	9.8
57.03670	1.9
57.07068	3.4
59.05005	2.4
61.93530	1.5
62.48421	1.5
63.35447	1.5
65.71172	2.0
67.05509	100.0
69.03436	25.2
69.07067	16.7
69.97020	1.7
71.04993	7.6
71.08624	2.3
73.02923	2.4
79.05066	2.9
79.05499	35.2
81.03426	48.1
81.06590	3.2
81.07062	54.6
83.04988	25.4
83.08614	12.5
83.76653	1.8
85.02900	3.8
85.06532	4.0
91.05489	26.1
93.07048	35.3
95.04989	7.7
95.08612	40.2
97.02902	13.5
97.06551	5.0
97.09747	1.6
97.10190	15.6
98.20721	4.1
99.04474	5.4
99.71099	1.7
105.07034	17.2
107.04937	2.8
107.08601	18.1
109.02884	8.3
109.06548	4.2
109.10165	55.4
111.04460	8.1
111.08103	3.8
115.28823	1.7
117.07011	10.0
119.08581	19.1
121.06540	3.2
121.10135	16.5
123.04457	1.8
123.08052	4.2
123.11733	6.4
125.09654	11.1
127.03925	7.4
129.05484	13.6
129.07027	6.1
131.08571	17.1
133.10127	10.9
135.08064	4.1
135.11722	9.2
137.09657	4.1
141.07024	3.7
142.07791	2.2
143.08516	4.2
145.06528	2.4
145.10121	11.4
147.08086	3.9
147.11697	10.4
149.05908	2.3
149.09668	3.2
149.13271	4.0
149.37129	1.8
151.03259	1.7
151.07513	1.8
155.08556	4.5
155.10657	4.1
157.10150	9.7
159.08072	3.1
159.11690	9.2
161.09676	3.6
161.13272	5.3
163.14862	3.8
165.12721	1.9
167.08585	2.5
169.10143	4.0
171.08025	2.4
171.10320	1.8
171.11714	7.5
173.09506	2.5
173.11742	14.8
173.13287	7.4
175.14804	2.6
183.11705	5.2
184.07321	4.8
185.13297	3.7
187.14822	2.1
189.11276	12.5
197.13271	4.0
199.14771	2.9
203.14388	2.1
211.11325	2.0
216.13853	2.5
223.14862	2.1
227.12730	14.3
229.14357	30.0
245.13950	4.4
259.20694	2.2
261.22128	8.4
263.23898	1.7
277.21478	2.8
299.14923	5.7
301.21609	5.2
314.11496	3.9
315.12033	4.3
317.24780	1.8
333.24234	2.2
335.25824	23.8
337.27313	11.4
341.24707	1.8
351.23111	5.0
369.24323	11.2
371.17154	4.3
371.25626	2.6
373.18674	11.4
387.25360	7.2
405.26270	6.2
443.27859	5.8
461.28787	6.5
479.30051	4.5
489.35849	12.1
507.36768	4.5
545.92926	2.1
559.36334	2.2
573.37274	2.1
597.37561	6.1
601.20795	5.0
615.39301	9.2
633.40027	38.5
651.29773	2.9
651.40717	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	653.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70253	0.7
59.13369	0.7
61.21628	0.7
67.05496	1.7
81.07056	1.6
83.08584	0.9
86.09690	1.1
91.05479	1.4
93.05797	0.7
97.10175	0.7
105.07122	0.8
107.08542	0.8
119.68579	0.8
121.70673	0.8
184.07346	2.8
309.04071	0.8
376.16977	1.4
377.17538	3.5
390.18604	1.3
391.19409	5.2
392.19922	3.3
403.15408	0.9
405.21005	4.2
406.21588	2.0
407.22403	2.1
418.19055	1.4
419.18347	5.1
421.16742	0.9
431.18863	1.2
432.19681	0.9
433.20206	2.9
434.21011	1.4
435.21857	2.6
436.18713	1.0
447.17987	3.2
449.19775	2.6
451.21356	9.0
459.17993	3.1
460.19260	0.8
463.24615	2.9
465.22864	3.6
466.19846	1.8
473.19855	2.0
474.20889	2.1
479.20694	33.8
489.23450	5.8
491.20688	1.1
493.22354	6.9
494.23276	4.4
501.19003	1.8
502.20483	1.7
505.18097	2.3
506.19559	1.7
507.23901	3.5
515.20856	1.3
517.22388	54.8
518.22852	2.0
519.20331	1.8
523.23462	1.7
535.23425	26.1
549.24683	0.9
551.22998	5.4
561.21185	4.9
579.22314	28.0
593.23932	2.6
594.24615	16.8
621.23425	42.3
625.26099	1.3
653.26019	100.0
654.26093	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	653.2606
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
50.99614	1.3
52.08774	1.1
52.34304	1.2
55.49805	0.9
57.03428	1.1
59.75557	1.1
60.08160	2.2
67.05499	2.3
69.07064	1.2
69.26097	8.5
86.09713	10.3
87.10041	2.8
88.41099	1.1
89.06017	1.6
93.02624	1.1
93.07040	1.5
98.98425	1.2
125.00020	4.8
125.02385	1.6
143.03424	2.0
157.05005	2.9
184.07349	22.4
185.07695	6.1
186.07860	4.8
225.13896	1.5
237.10515	1.3
253.13501	1.4
276.90366	1.0
279.11481	1.1
286.31198	1.2
363.16293	1.7
375.16220	1.3
375.97156	1.4
377.17526	3.8
378.18674	2.2
390.18704	2.3
391.19351	6.7
392.20129	3.0
393.20789	3.2
401.17746	1.7
404.20178	1.7
405.21051	5.6
406.21747	1.9
407.22293	8.7
417.21341	1.7
419.22650	3.3
420.22958	1.7
421.20151	6.6
431.18631	1.7
432.19403	1.5
433.20435	3.4
434.21219	1.7
435.21896	10.2
436.22858	2.4
437.19693	1.6
445.20264	2.4
447.21982	4.1
448.22986	1.3
449.19772	1.3
451.21536	6.4
459.18304	2.2
461.19421	1.4
462.24277	2.1
463.20804	1.6
465.19205	7.3
466.19937	3.6
473.19958	3.1
474.20755	2.5
475.21341	2.0
477.19498	1.7
479.20801	15.2
481.35330	2.3
489.22705	3.9
493.26111	2.4
501.19507	6.4
502.19958	1.8
503.20523	2.7
505.18878	3.3
506.19333	1.4
515.20789	4.1
516.21503	2.7
517.22339	19.0
518.22693	3.2
521.25476	4.4
522.26080	1.9
525.54150	1.4
533.22351	2.2
537.24719	3.5
547.23682	2.7
549.25073	25.1
550.25659	1.6
551.22601	6.5
565.24622	6.4
566.25360	17.4
575.23114	7.4
579.22113	5.2
593.23871	15.8
594.24597	4.5
607.25427	4.2
609.26904	7.2
621.23444	2.2
625.26532	12.8
635.25043	65.6
653.26038	100.0
654.26416	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	653.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49607	0.8
53.86858	0.8
61.86686	0.8
67.05511	1.4
70.57742	0.8
70.58073	2.4
79.13002	0.7
81.07030	1.0
96.17321	0.9
118.06538	0.9
120.08132	1.2
154.80128	0.8
169.72476	0.8
187.70787	0.7
207.09186	1.2
209.10794	1.7
211.12378	1.6
212.13284	1.2
221.10718	1.8
222.11526	1.0
223.12363	2.2
224.13165	0.9
225.13919	4.9
237.10185	1.1
237.13922	3.6
238.14731	1.3
249.10088	1.5
249.13928	0.9
275.08054	0.9
277.09769	1.4
337.11813	2.3
351.13693	1.0
352.14426	1.3
369.18503	0.9
399.16574	1.2
401.18179	0.9
402.18607	1.0
403.19489	1.1
410.14926	1.0
416.20206	1.6
417.21121	1.1
429.17029	2.5
431.18375	2.6
431.23141	1.6
432.19241	1.3
443.18787	1.6
444.19394	1.2
445.20337	3.7
446.20816	4.1
447.21887	4.0
454.17917	1.3
459.22324	6.2
472.18341	1.4
474.20337	1.9
475.21057	1.9
486.23590	1.4
487.21408	11.4
491.21228	1.0
501.22760	3.6
502.20496	1.0
512.19080	1.0
515.20764	1.6
516.24933	1.5
518.23358	1.2
519.24158	2.3
529.22095	4.0
531.19757	1.2
532.24091	3.7
533.25745	4.1
534.22400	1.4
547.23224	2.0
560.22998	1.6
561.25012	83.2
562.25049	3.1
589.24298	6.9
592.26349	8.4
621.27130	100.0
622.27344	3.5
653.31506	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Haplophytine
Peak:m/z	Relative Intensity
50.32026	0.4
69.20497	4.4
93.37835	0.5
95.08631	0.5
196.27391	0.5
212.32623	0.4
252.74289	0.5
314.16739	0.6
375.15851	0.6
376.17139	0.6
377.17599	1.0
389.18179	0.8
390.18335	1.3
391.19193	3.7
392.20151	1.4
393.21695	0.6
403.19641	1.0
405.20779	7.7
406.21594	5.9
407.22479	0.8
417.20929	0.7
418.21878	0.6
419.22330	3.1
420.23132	5.2
421.23895	9.8
431.18243	0.8
433.20358	2.3
433.24881	1.0
434.24866	1.3
435.18396	1.0
436.18802	2.4
445.20346	1.5
447.21890	1.6
449.19370	0.8
450.20627	1.9
451.21442	1.6
452.22150	2.0
459.17593	0.8
460.22369	2.3
463.21658	0.7
464.21918	0.7
465.22891	37.3
466.23395	0.8
468.30075	0.5
473.19391	2.5
475.25250	1.0
477.18747	0.7
477.26883	0.7
478.23691	1.4
479.24344	6.1
480.25174	3.5
486.20624	0.7
487.21182	2.0
488.22186	4.8
491.20230	2.2
492.21115	0.8
501.22888	1.4
503.24454	38.4
504.24850	1.3
505.22385	0.8
507.27646	2.9
533.26038	0.8
535.27081	32.6
536.26849	0.9
551.26599	4.3
561.25073	2.3
566.28113	0.5
579.26062	29.8
580.26379	0.9
593.27789	1.7
594.28339	13.3
621.27100	15.3
621.37042	0.9
622.27307	1.0
653.29724	100.0
654.29907	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.5
63.91854	1.7
65.03949	1.5
67.05488	1.4
69.20846	6.0
69.21273	8.4
81.07040	2.6
96.13019	1.5
98.21550	3.3
109.10200	1.7
119.08591	2.0
165.14798	1.5
373.30341	1.6
389.18192	1.8
390.18811	2.9
404.20245	2.8
405.20883	8.6
419.22366	8.4
420.23169	3.3
433.23895	5.3
434.25211	1.7
447.21936	2.1
449.19803	5.1
463.21402	4.1
464.22205	4.7
473.23584	2.5
475.21127	3.7
477.23105	3.7
478.23746	3.6
479.24414	27.0
487.21381	4.6
491.20142	1.9
501.22818	4.7
507.27673	17.8
519.24188	3.6
533.25641	4.0
537.25104	6.7
551.26538	26.9
560.24585	3.3
561.24799	5.0
565.28247	13.9
566.28998	48.5
575.26544	11.2
588.24023	2.2
593.27710	7.8
603.26257	3.0
621.27081	10.1
635.28522	20.3
653.29724	100.0
654.30054	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49412	0.6
55.05433	1.1
59.24997	0.7
67.05421	0.8
67.69537	0.7
69.07008	0.7
79.05424	1.1
81.06950	1.8
81.07403	0.7
83.08538	1.0
91.05356	0.9
95.08518	0.8
97.10076	0.9
97.10626	0.6
116.55923	0.7
118.06429	1.0
120.07994	0.9
125.09501	0.8
128.67578	0.6
144.07930	0.6
172.03845	0.8
184.07326	1.0
195.08888	0.8
196.09676	0.8
208.09659	0.8
209.10689	0.9
210.11369	1.6
211.12096	1.0
221.10597	2.6
221.12589	0.8
222.11433	1.3
223.12114	2.7
223.90848	0.8
224.12962	1.0
225.13864	4.1
234.11421	0.9
235.08763	1.2
237.13734	2.0
238.14522	1.0
239.15276	1.2
249.10071	2.3
249.13704	2.2
250.10866	0.8
251.11620	0.8
251.73788	0.8
255.10979	0.7
265.09540	0.6
265.13074	0.9
276.16235	0.9
277.09610	1.6
297.12265	0.9
311.13876	0.8
320.78156	0.7
337.11798	1.4
338.12628	0.8
339.13614	0.7
351.13565	0.9
366.16006	1.1
368.13986	1.1
380.13651	0.9
387.15759	1.4
396.13251	1.3
401.17648	1.3
402.18668	1.5
403.19293	0.8
412.16171	1.2
417.16364	1.1
417.21176	1.2
429.17133	3.8
430.17737	1.4
431.18414	2.6
431.22974	1.7
443.18484	2.5
444.19601	1.8
445.20282	2.4
446.20969	3.8
447.21790	3.5
457.15778	1.0
459.22418	4.7
460.23007	1.1
471.17395	1.0
472.18887	1.0
474.19882	1.3
475.21231	2.4
481.35165	2.6
485.19403	0.9
487.21512	10.6
488.21890	1.1
501.23108	3.2
503.20883	1.0
515.20514	2.9
517.23615	0.8
519.24475	3.4
529.22296	3.7
531.19952	0.9
533.25702	4.9
534.22644	1.1
546.22748	1.3
547.23431	2.8
561.25006	88.7
562.25616	3.3
589.24500	7.1
621.27118	100.0
622.27454	3.6
653.28320	2.4
653.40497	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2765
Annotation	Karajinone A
Peak:m/z	Relative Intensity
55.05515	1.6
57.07080	0.9
67.05495	1.2
69.51637	3.6
81.07032	1.4
83.04989	7.3
83.05454	1.0
83.08626	0.7
91.05470	1.3
107.08592	1.2
109.10143	0.7
117.07100	0.8
129.07025	1.4
147.11722	1.5
151.03288	0.7
154.64439	0.7
171.09206	0.8
175.01620	3.5
181.02588	6.1
197.10852	0.9
199.08629	1.0
204.27658	0.7
209.10785	1.4
210.11636	0.7
221.10762	1.4
222.11563	0.7
223.12306	2.6
224.13216	1.7
225.13817	3.7
227.04721	1.0
235.12332	1.8
236.13167	2.2
237.13850	4.6
238.14621	3.4
239.15460	1.9
246.11603	0.7
247.12340	0.9
249.13882	1.7
251.15440	3.8
252.16255	1.0
253.17134	2.1
261.13962	5.4
263.11707	0.9
276.15274	0.8
279.14935	2.0
280.15509	1.2
304.17749	0.7
311.14709	0.6
313.12082	4.7
313.15482	0.8
314.16528	0.8
324.14810	0.8
328.18146	0.8
340.18201	1.2
352.17453	1.6
353.17865	2.1
364.17673	1.3
366.19458	1.2
367.19412	2.0
368.20062	1.8
377.17810	3.7
378.19623	1.2
379.19516	1.6
380.16562	1.3
381.20926	1.6
391.19492	1.3
392.20663	0.9
393.16763	0.9
393.21228	1.6
394.17746	1.4
395.18695	2.8
396.19601	1.1
397.20410	1.2
400.20407	0.8
405.17044	1.9
406.17957	1.8
407.18805	3.2
409.20544	1.5
410.21188	1.5
419.18674	1.0
420.19336	2.1
421.20270	2.5
422.21146	2.3
423.17935	1.1
424.19159	0.7
425.19733	0.8
427.21585	0.9
433.20230	2.0
435.18353	2.3
437.19727	2.0
438.20901	1.5
439.21271	1.9
441.23624	1.1
448.18805	1.6
449.19345	3.2
450.20505	2.6
451.22134	1.0
452.23026	0.8
453.23071	1.0
461.19788	1.0
463.21417	2.0
465.18582	5.2
466.20215	1.4
467.20636	0.8
469.26031	2.3
473.23853	0.9
475.20953	1.2
476.18619	2.6
479.24976	3.1
480.21878	1.6
481.22141	2.3
482.23273	3.4
483.20187	1.3
491.20966	1.2
493.22607	2.3
497.25723	8.2
499.21719	1.1
503.21359	0.8
507.24149	3.8
508.20917	4.3
509.22113	2.6
510.22827	2.2
511.23544	0.7
512.25195	0.9
514.26056	4.1
517.22357	0.9
521.21747	1.3
524.24347	2.4
525.25140	9.7
529.28754	4.3
535.23462	3.7
536.24139	1.7
538.21649	1.0
539.26349	0.9
542.25391	1.7
543.19092	1.1
547.23596	1.1
552.23535	1.3
553.24463	4.1
555.21490	0.9
557.27502	3.6
563.23065	2.8
567.26154	5.0
569.27570	2.4
573.21594	1.3
581.23541	3.1
585.27069	16.9
591.22180	1.1
595.25513	91.7
596.25732	1.6
599.25500	6.6
605.24170	3.7
613.26569	100.0
614.26471	1.7
623.24994	14.6
627.28003	1.0
655.27527	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	655.2763
Annotation	Cryptophycin 38
Peak:m/z	Relative Intensity
55.05511	3.0
57.07080	2.5
59.94041	1.3
60.40184	1.5
67.05514	1.7
70.47392	4.0
75.15290	1.4
79.05495	2.0
79.87049	1.4
81.07037	2.5
83.04971	15.1
83.08630	1.6
91.05507	2.9
95.08584	1.4
105.07077	1.7
119.08575	2.6
128.06123	1.9
129.06972	1.8
147.11687	3.2
175.01559	6.8
181.02605	11.1
184.07503	1.8
185.98636	1.5
227.04677	3.4
239.15378	2.2
289.62018	1.7
301.03839	1.5
313.11960	7.0
369.18454	3.3
405.20758	3.0
407.18796	2.3
407.79263	1.6
433.23993	2.1
436.22192	2.0
448.18399	2.5
449.19669	3.9
452.22604	1.7
463.21167	7.5
477.18866	5.1
480.21658	3.1
501.22577	4.4
518.21783	1.8
533.25177	5.9
535.23358	3.7
543.19397	7.8
547.23364	3.7
551.26123	6.4
553.24194	2.2
561.25879	1.9
565.28058	27.7
579.26111	7.3
580.22955	4.2
583.29285	4.4
585.27911	2.2
594.24567	2.5
595.25317	1.9
599.25372	14.8
609.27191	3.4
611.28680	3.6
612.25232	1.9
623.24823	12.9
627.27924	3.7
637.25067	1.8
655.27478	100.0
656.28015	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	655.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98495	1.4
51.60978	1.4
71.54200	2.0
79.05484	2.4
81.07079	2.3
83.08587	1.6
105.07076	2.2
125.94080	1.5
171.45694	1.6
177.65889	2.0
219.71936	1.5
220.16922	1.7
237.13834	1.7
256.29263	1.6
392.77896	1.8
401.17593	3.0
402.18835	2.1
405.20251	4.0
417.20987	3.5
419.18457	2.5
431.18564	5.8
433.20126	2.4
434.21024	2.6
443.18735	2.6
444.19449	5.0
445.20297	16.9
446.21411	3.8
447.18140	5.0
457.16113	2.9
459.22250	10.5
460.22726	23.9
461.18494	2.2
461.23837	3.3
462.20547	2.1
471.18127	2.2
472.18500	2.2
473.23822	24.4
474.25027	7.3
475.25571	12.5
476.22147	3.6
477.22952	3.7
486.20151	3.0
487.21884	3.3
488.22269	4.2
489.23032	2.8
490.19983	2.0
491.24667	8.3
493.22208	2.8
499.21640	1.7
501.23193	15.2
503.24640	23.7
504.21854	3.2
517.22882	8.2
518.19293	20.0
519.24683	12.0
521.21893	1.9
529.22272	10.2
531.24207	2.0
532.21503	2.1
535.23114	4.3
547.23456	100.0
548.22650	2.0
551.26337	2.1
563.22595	2.9
567.25983	2.8
568.26843	2.4
573.21399	5.4
579.26117	11.5
587.22809	2.3
591.22406	96.5
592.22882	2.3
595.25592	14.4
605.23846	12.9
623.25031	73.3
637.25446	2.0
655.27435	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	655.2766
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
55.05508	2.6
65.54885	1.0
67.05503	2.4
71.53558	1.8
79.05490	2.3
81.07067	3.5
83.04990	3.2
83.08631	1.2
88.00484	1.2
88.25508	1.1
91.05506	2.3
93.07042	1.9
94.06584	1.4
95.04959	1.8
95.08620	2.2
97.06538	1.1
105.07053	2.5
107.08614	2.4
119.08650	1.4
120.08092	1.5
121.10197	1.5
131.08595	1.6
145.10165	1.6
175.01572	1.5
181.02596	2.5
209.10776	2.5
221.10826	2.3
223.12302	3.0
224.12996	1.5
225.13930	2.0
233.10828	1.4
237.13860	1.9
238.14691	2.5
239.11812	1.6
247.12363	1.4
265.09854	1.5
267.07581	1.1
281.12817	1.3
293.12683	1.6
295.14514	1.2
313.12033	2.6
353.19180	1.3
372.17084	1.1
386.18237	1.7
388.20322	1.7
396.16946	3.9
398.14899	1.6
401.17291	1.4
412.20139	4.1
414.18546	2.0
430.16348	1.5
430.21500	15.1
443.18887	1.8
463.21371	1.5
473.23065	1.8
475.21667	1.6
477.22583	2.5
488.19385	2.0
490.20566	1.2
490.23148	1.2
491.20853	2.3
499.21561	1.9
501.22971	2.6
503.21085	5.7
518.23120	1.5
519.23572	3.3
521.22198	1.7
527.21185	2.6
529.22821	6.9
530.19934	1.7
531.20300	2.6
535.22986	1.4
545.21887	2.8
547.23212	4.0
548.21478	3.5
551.26636	1.6
555.20270	1.4
561.24866	1.8
563.22931	2.5
573.21069	5.6
574.20227	1.4
576.20374	1.6
579.26202	3.3
591.22430	24.3
594.25610	3.3
595.26050	1.6
599.25189	3.0
605.23999	13.2
606.22650	4.2
611.28595	1.9
623.25043	100.0
624.24896	3.0
637.26611	19.0
655.27502	20.8
655.40381	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
56.22021	0.3
64.74416	0.3
64.87811	0.3
67.05522	0.6
69.99955	1.0
79.05503	0.7
81.07045	0.4
83.63337	0.3
90.89164	0.3
95.08620	0.5
105.07010	0.4
107.08618	0.3
110.53378	0.3
118.20290	0.4
121.10236	0.4
141.07010	0.3
145.10175	0.3
181.07458	0.3
205.07329	0.3
222.64450	0.3
237.13980	0.5
261.13940	0.4
273.18591	0.4
317.41254	0.3
377.17914	0.7
391.19260	1.2
392.20093	0.6
405.17184	1.3
405.21600	0.5
406.21701	0.9
407.22409	3.9
408.23102	0.4
418.17914	0.5
419.18439	3.6
420.19128	1.7
421.20276	1.2
432.19550	0.4
433.15640	0.6
433.20667	5.0
434.21100	4.4
435.21878	7.5
436.22729	0.4
447.17993	1.7
447.22360	1.6
448.18655	0.9
448.23602	0.6
449.19205	1.7
451.21454	0.4
460.22870	0.4
461.19638	1.2
461.24283	0.8
462.20496	4.7
463.21185	3.7
465.23120	0.5
475.21408	1.7
476.22281	1.0
477.23166	1.5
478.23865	0.4
479.20032	0.4
479.25165	0.7
481.25967	0.3
489.22900	1.0
493.22403	1.1
494.23132	0.5
495.24026	1.5
501.22809	0.5
507.23792	1.1
508.24814	1.8
509.25662	1.4
517.22723	0.4
520.24890	0.4
521.25714	11.3
535.26788	0.4
549.25043	17.0
550.25293	0.6
553.24628	1.0
563.27112	2.5
564.27594	0.6
565.28937	0.4
577.24506	0.7
580.24097	0.5
581.27716	3.0
595.29462	11.5
607.28320	0.4
609.27100	11.7
610.27966	0.4
613.26740	0.9
614.23340	0.4
623.28278	1.5
637.25995	0.4
655.31281	100.0
656.31335	2.5
656.40619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.01881	1.1
55.05514	18.0
57.07078	23.4
59.25509	0.5
60.01260	0.5
60.72192	0.4
63.95945	0.4
67.05501	0.6
69.07070	0.7
71.05000	5.1
77.03937	0.8
79.05498	0.9
81.03422	0.5
81.07051	0.6
83.04984	100.0
83.08623	0.7
91.05482	6.7
93.07055	0.9
95.05002	1.4
95.08588	1.0
97.10194	0.5
98.21526	1.1
98.98467	5.5
101.06036	0.8
103.05450	0.5
105.04504	0.8
105.07050	3.6
107.04942	0.5
107.08603	0.7
109.10194	0.5
113.38038	0.4
115.05444	1.0
115.93565	0.5
116.87491	0.4
117.07098	0.5
119.08595	2.4
128.06244	6.1
129.07014	12.8
131.08571	1.1
132.09360	0.6
132.68271	0.4
133.10126	1.1
141.06995	3.3
145.06540	1.1
145.10199	0.4
147.08057	6.2
147.11700	13.6
148.12199	0.4
151.01575	3.2
155.06110	1.3
157.07599	3.5
159.08038	1.2
161.13225	1.0
169.07669	1.6
174.99924	0.4
175.00269	0.5
175.01561	48.4
181.02611	87.3
185.13263	1.2
187.01622	1.7
193.02647	0.7
199.03711	1.5
209.03702	1.0
222.05357	2.1
223.12337	0.5
224.13069	0.9
225.13898	0.7
227.04688	29.4
231.07805	3.3
239.04643	3.7
239.15465	0.7
243.08060	0.6
257.05768	10.5
257.08292	0.8
267.14951	0.5
275.06787	1.0
275.15341	0.6
283.10941	9.7
295.10953	0.6
313.11990	52.6
314.12869	0.8
331.13101	2.9
337.02280	0.9
369.18253	21.4
393.08875	0.9
420.19150	0.8
431.06702	0.9
435.21408	0.5
448.19318	0.6
480.21841	1.6
481.21698	0.7
487.12665	5.1
491.20792	0.6
519.23322	0.8
525.24811	3.4
535.23370	0.6
537.24005	0.7
543.19104	27.2
544.20068	0.6
553.24597	0.8
581.24091	0.6
585.26965	7.3
594.24988	1.7
595.25885	0.9
599.25348	86.2
600.25928	1.3
612.26111	0.8
623.25116	3.2
627.28168	1.4
637.26599	1.1
655.31726	98.3
656.32031	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	655.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.5
57.03447	3.8
57.07080	36.3
61.02935	8.3
63.18090	0.7
66.08244	0.5
67.05512	10.4
69.03429	1.0
69.07072	7.1
71.04989	0.7
71.08638	27.7
71.53413	1.0
73.02911	3.3
75.04485	1.6
79.05495	1.2
80.55811	0.6
81.03401	0.9
81.07061	12.8
83.08624	11.8
85.02914	9.3
85.09410	0.7
85.10190	16.9
89.06054	0.9
91.03954	9.8
93.07034	0.7
93.36015	0.7
95.08612	24.4
97.02896	4.5
97.10179	5.8
99.04421	0.8
99.11756	0.9
103.07580	0.7
106.72321	0.6
109.10160	9.8
111.11735	1.6
115.03892	0.7
121.10116	0.8
123.11714	4.5
127.03937	3.3
137.13280	2.0
141.03409	0.6
145.04996	3.4
160.96028	0.6
163.06024	6.2
165.91960	0.5
179.17947	0.7
183.06506	0.6
186.32552	0.6
187.67639	0.6
205.23526	0.6
221.22809	1.0
223.12361	0.6
239.23705	25.6
257.24771	3.8
272.09186	0.6
298.27533	0.7
313.27380	100.0
314.27802	1.3
321.03708	0.6
331.28436	19.6
331.32416	1.1
475.32736	2.7
577.24188	2.1
623.25323	3.0
655.28326	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	656.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05505	2.3
65.15676	1.4
67.05495	5.3
69.03415	1.8
69.07063	1.8
69.67291	5.4
69.67694	2.8
70.06571	1.8
77.09689	1.4
79.05485	5.8
81.03424	6.1
81.07047	3.6
85.02902	2.1
89.03922	3.5
91.05495	5.9
92.05067	1.3
93.05808	1.2
93.07039	5.5
94.06557	9.1
95.04954	4.8
95.08608	3.2
96.08120	1.8
97.02901	3.1
97.06541	1.8
103.03914	1.2
103.05460	3.6
105.07013	4.3
107.08612	1.8
108.08153	6.3
109.06548	1.7
110.89217	1.6
115.76752	1.1
116.04997	9.7
118.06568	2.7
119.04977	1.5
119.07289	1.5
119.08578	1.8
120.04446	2.7
120.08121	24.0
121.10140	3.6
122.06040	41.0
123.04406	2.3
124.07602	7.0
125.09667	1.5
132.05717	1.6
133.06485	1.3
135.04417	1.4
135.08080	1.6
135.11752	1.5
136.07576	28.3
138.05540	3.3
138.09082	1.4
144.04446	16.6
145.10088	2.6
146.05949	3.8
147.04460	1.9
148.07578	49.9
152.07050	5.9
154.08522	1.6
162.05467	7.5
163.03928	1.5
163.11180	1.4
164.07088	2.8
165.05482	1.7
166.08633	3.8
167.07150	1.5
172.03944	84.2
173.04405	1.3
174.05496	2.0
175.11024	1.4
177.05458	3.4
180.06458	2.3
180.10152	1.5
184.07391	2.9
186.05524	3.2
188.06975	1.3
190.05011	29.6
192.07863	2.2
196.10045	1.4
198.07649	4.1
199.04089	1.9
204.06572	100.0
207.09160	1.7
208.09782	5.4
209.11124	1.1
211.08653	2.0
212.09291	1.9
213.10143	1.5
214.10771	5.4
221.10725	1.3
222.11609	1.3
223.04237	6.0
223.08615	3.1
223.12308	3.4
225.10309	2.4
235.08611	3.1
236.09425	8.1
237.10242	8.2
238.11011	2.5
239.11790	2.5
240.08989	2.1
241.09610	1.9
249.10272	2.6
250.07256	1.6
250.10951	3.0
251.08197	10.0
251.11905	8.1
252.08743	5.1
253.09660	6.5
254.10524	2.1
255.11212	2.7
259.09564	1.6
263.08279	2.5
264.08908	9.3
265.06638	2.3
265.09698	21.0
266.07770	1.3
266.10538	5.8
267.07730	1.4
267.11252	3.4
268.16321	1.5
277.09613	2.7
278.10510	3.8
279.07672	17.3
279.11279	31.8
280.08466	5.2
281.09177	6.6
281.12540	1.7
282.10004	4.4
283.10721	2.4
292.08484	5.6
293.09204	19.4
294.09967	8.3
295.10718	3.8
297.08771	3.1
297.12390	12.7
299.10300	1.6
301.11789	3.1
307.10767	33.6
309.12357	12.1
310.09515	3.4
311.10336	4.6
313.11798	4.9
320.07892	4.1
321.08640	2.1
323.10263	3.1
325.11859	15.5
327.13486	1.7
329.11670	1.6
335.10281	6.9
338.09009	17.4
339.09720	1.9
339.13385	15.3
341.11343	13.3
353.11322	47.9
354.12061	2.5
358.15573	2.0
367.12891	4.1
370.11560	1.4
371.12711	2.4
372.13696	1.7
373.13858	10.4
383.12415	1.8
385.09048	1.6
385.13953	13.3
393.10880	2.1
402.14200	1.4
411.11887	75.2
412.12274	2.1
415.15030	1.8
429.12927	5.6
443.14401	12.7
460.18512	2.3
474.12372	1.6
488.18292	6.5
506.19336	2.2
520.20819	7.4
538.21954	5.4
548.20367	22.6
574.17627	2.5
580.22913	61.4
592.19305	32.2
598.09009	1.3
606.20990	2.9
624.21936	95.6
625.21722	2.2
656.34039	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91204	3.1
53.03937	5.9
55.01873	5.5
55.05508	27.6
57.03450	20.9
57.07082	57.6
64.24156	3.2
67.05180	6.1
67.05508	72.8
69.07065	59.2
71.04980	20.6
71.08640	43.3
71.52582	3.8
71.53098	3.6
73.02896	5.9
79.05495	48.3
81.03436	19.3
81.03821	3.9
81.06599	4.8
81.07059	77.4
83.04978	12.4
83.08612	23.5
85.06543	6.3
85.10176	25.5
89.06026	4.4
90.88525	3.9
91.05489	43.9
93.07042	44.7
95.04971	18.3
95.08609	63.4
97.06538	86.3
97.10161	12.2
97.72530	3.4
99.08066	4.8
105.07048	29.9
107.04952	12.7
107.08581	27.7
109.06506	24.2
109.10159	30.2
111.08058	4.6
115.07565	29.0
117.07017	14.1
119.08559	16.8
121.06518	8.7
121.10132	13.2
123.08099	6.2
123.11700	7.7
127.07549	4.2
129.06984	6.8
131.08557	21.2
133.06561	5.1
133.10147	20.6
135.08038	10.6
135.11717	10.9
145.10149	12.2
147.08017	5.4
147.11687	9.2
149.09612	9.4
149.13275	8.9
151.11186	11.4
157.10150	10.2
159.11703	9.6
161.09601	8.3
171.11667	6.7
175.11220	9.0
177.12761	5.1
193.12379	4.2
195.11674	5.2
195.13803	5.2
217.15852	13.4
227.12814	5.0
227.17865	4.6
233.15276	5.7
239.00874	3.7
239.23596	9.2
245.18968	7.3
251.16405	4.8
253.14363	8.3
255.17767	4.6
267.15979	5.7
269.17426	11.8
273.18491	45.3
291.19452	20.4
297.16919	3.8
313.27347	100.0
313.30762	7.3
323.94363	4.1
341.26685	9.7
347.22101	11.0
365.23236	13.3
376.35278	4.1
385.38791	3.9
493.38446	6.7
505.38672	6.0
507.40472	54.8
523.39594	4.2
535.40222	4.5
585.44891	5.7
603.46173	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13680	0.5
67.05540	0.7
69.20885	4.6
74.26950	0.5
77.63113	0.5
83.98692	0.5
91.05486	0.6
93.07042	0.6
94.06546	0.6
98.21542	1.0
115.14175	0.5
115.46931	0.5
118.06567	0.9
122.09644	0.6
144.08185	0.5
146.09686	1.1
158.09621	0.6
160.07608	0.6
172.11241	0.6
174.09138	0.6
183.09254	0.7
196.11327	0.7
197.10756	0.7
201.10387	0.7
209.10753	1.1
211.12265	0.8
219.09308	0.7
221.10733	0.9
222.11497	0.6
223.12321	1.4
224.13228	0.6
224.24004	0.5
227.77214	0.5
233.10820	0.9
234.11456	0.7
235.12376	1.4
237.13924	1.6
239.11804	0.5
245.10800	0.6
247.12369	1.6
249.13945	1.1
260.13086	0.8
261.14017	1.5
262.13150	0.6
263.11777	0.8
273.13950	1.1
274.13666	0.7
275.15411	1.1
276.15167	1.1
285.16309	0.6
287.15347	1.5
288.16141	1.8
289.16855	0.9
292.14673	0.5
297.16241	0.7
302.12985	0.9
302.16479	0.5
311.14090	0.9
312.14899	1.2
313.15973	0.6
314.13049	0.5
314.16760	0.6
316.14624	1.0
318.16104	1.2
324.15298	0.6
326.16586	1.1
328.18130	0.8
330.16266	0.6
332.13901	0.9
332.17670	0.9
337.15216	0.8
338.16742	1.2
340.18045	1.3
349.15405	1.1
350.16498	0.9
351.16959	1.5
352.18021	1.7
354.16183	0.7
354.20163	0.7
362.16125	1.3
363.16531	1.8
364.17325	0.9
365.17770	2.2
366.19400	1.2
367.19986	0.8
375.16385	1.4
376.17499	1.2
377.17795	3.3
378.18912	1.7
379.19522	4.8
380.16653	1.3
380.21115	1.0
381.20798	1.5
388.17392	0.7
389.17670	1.5
390.19394	1.2
391.19644	4.4
392.20129	2.0
393.17096	1.9
393.21533	2.4
394.17963	1.7
394.22244	1.2
395.18124	0.8
395.22446	1.4
402.20139	0.6
403.19815	0.6
405.21655	2.5
406.21677	1.9
407.18457	2.5
407.23123	4.1
408.19461	3.7
409.20294	5.3
410.18716	0.7
412.20200	0.7
417.16742	0.9
419.18613	1.9
420.23755	0.9
421.19617	5.8
421.24896	1.5
422.21085	4.9
423.21912	19.3
424.22357	1.8
425.21396	0.6
430.20883	0.6
431.18396	1.2
432.19901	1.4
433.20267	1.8
434.21130	1.6
435.22202	8.1
436.23047	3.6
437.23956	4.6
438.23102	0.6
442.21185	0.9
446.13748	1.1
446.21042	2.3
447.17352	0.8
447.22141	1.7
449.18860	1.3
449.23499	3.4
450.19882	0.8
450.24261	2.3
451.20804	4.6
452.22955	1.1
453.22940	1.6
454.20093	4.4
456.23145	1.0
460.22623	0.8
461.23779	6.4
462.20810	2.0
463.21512	4.2
464.22031	2.1
465.23303	4.9
466.23911	1.8
467.24860	4.9
468.25656	3.0
476.22162	1.6
477.23105	5.7
478.24173	3.5
479.25397	5.2
480.22192	1.3
481.22440	3.5
482.23343	0.7
491.20889	1.0
492.20667	0.7
493.22522	5.7
494.25974	4.5
495.23611	11.9
496.24567	4.6
497.25546	0.9
505.22763	1.4
506.23126	0.8
507.24042	1.4
508.24728	15.5
509.25784	10.6
510.26505	10.5
511.27341	11.4
516.24823	1.2
519.24121	1.3
521.25842	5.1
522.26563	2.5
523.23236	4.7
525.28766	2.3
526.28455	1.5
537.25055	17.0
538.25775	8.1
539.25952	0.7
549.25116	1.0
551.23090	1.7
553.28760	6.3
554.24963	0.8
555.26099	2.0
565.24323	3.3
566.25104	2.0
570.28503	3.4
581.27686	16.0
582.25708	2.0
583.25281	5.6
595.29449	1.3
596.27606	1.3
597.27130	40.3
598.27655	5.5
607.25842	1.2
613.30237	64.6
614.30237	1.4
625.26575	100.0
626.26672	2.2
639.27734	0.7
657.29242	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58816	0.6
66.17228	0.6
94.34779	0.7
118.73355	0.6
131.07294	0.6
144.08159	0.8
146.09639	1.2
146.69261	0.8
152.81204	0.6
183.09312	0.8
209.10649	0.9
221.10728	1.5
235.12401	1.2
236.13133	0.8
237.13873	1.0
245.10919	1.2
246.11879	0.8
247.12401	1.9
249.13853	1.5
251.11945	0.8
261.13962	1.9
262.13443	0.9
273.13834	1.4
275.15414	1.3
276.15454	0.7
287.15149	0.9
288.15619	0.8
302.16623	1.0
305.92572	0.7
311.14087	0.9
312.14777	0.8
314.16635	1.5
316.14343	0.8
318.15918	0.7
325.15829	0.9
326.16650	0.8
327.17722	0.8
338.16534	0.7
340.18307	1.5
349.15372	0.7
350.16663	1.2
352.17810	1.8
361.14902	1.0
362.16046	0.9
363.16293	1.3
364.17545	1.9
365.17923	2.8
366.19122	0.8
375.15814	1.0
376.17929	1.0
377.17825	2.6
378.19119	1.2
379.19522	3.9
381.20859	1.5
389.18323	0.8
390.19278	1.3
391.19446	4.0
392.20255	2.8
393.16992	2.1
393.20920	3.0
404.16568	1.1
405.21219	1.5
406.17612	1.3
406.22232	1.3
407.18686	2.7
407.22562	2.5
408.19318	3.3
409.20160	5.5
410.19077	0.9
419.18414	1.2
420.23428	0.8
421.19598	4.8
421.24872	1.8
422.21136	3.4
423.21896	15.9
423.27286	1.3
424.22446	1.1
426.21497	0.8
430.17908	0.8
431.18909	1.8
432.20032	0.8
433.20010	2.1
434.21188	1.0
435.21851	7.5
436.22964	3.1
437.24179	3.3
446.13846	0.9
446.21207	1.9
447.22351	1.2
449.23389	2.6
450.24631	1.7
451.20984	4.5
452.22534	1.0
453.22818	1.2
454.19949	3.7
456.23019	1.1
461.23767	6.9
462.21460	2.7
463.21576	3.1
464.22476	1.6
465.23264	4.2
466.23123	1.5
467.24576	2.7
468.24881	2.2
476.22549	0.9
477.23090	4.6
478.23779	3.8
479.24216	4.8
480.22116	1.0
481.22540	2.8
483.24960	0.8
491.20636	1.0
493.21307	5.0
494.27231	4.6
495.23599	10.3
496.24692	4.7
497.25748	1.4
505.22382	1.3
506.23141	1.0
507.23907	2.2
508.24762	11.6
509.25626	11.0
510.26440	9.7
511.27316	12.2
516.24823	0.8
519.24139	1.6
521.26056	4.0
522.25732	2.5
523.23059	4.7
525.28760	2.1
526.29291	1.5
537.25092	16.2
538.25793	7.0
539.26532	1.0
549.24994	2.0
551.22821	1.6
553.28650	7.3
555.26257	1.5
563.26666	0.9
565.24670	2.6
570.28522	3.1
581.27667	17.1
582.26617	1.1
583.25372	4.6
597.27173	44.1
598.27844	5.5
607.25684	1.3
613.30249	72.5
614.30719	1.8
625.26593	100.0
626.27032	1.9
657.29321	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	657.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66832	0.6
51.74617	0.7
53.40783	0.6
55.05521	1.4
56.36988	0.7
57.46152	0.7
67.05504	3.2
69.07069	1.4
79.05498	2.2
81.07051	3.7
83.05006	1.0
83.08589	0.9
87.46880	0.8
91.05487	2.0
93.07057	2.2
95.08609	2.2
105.07033	2.4
107.08567	1.7
109.06501	0.8
109.10152	0.9
109.79824	0.7
117.07027	1.1
119.08595	2.0
121.51578	0.8
128.06226	0.9
129.07039	1.0
131.08577	1.1
133.10147	0.9
135.06667	0.6
135.11703	1.1
142.60048	0.6
143.08568	1.2
155.08635	0.9
157.10144	1.4
181.02690	0.8
202.15982	1.3
223.12415	0.7
225.78261	0.8
237.13870	1.0
287.16498	1.0
304.23407	0.9
335.25885	0.9
367.19171	2.5
377.30823	0.7
391.19672	1.0
392.19937	0.8
393.20950	0.8
395.18506	1.2
405.50424	0.7
409.20709	1.0
410.21100	1.3
423.18243	1.0
437.23135	0.9
438.20575	2.5
439.21414	1.1
451.20840	0.8
453.22925	6.7
455.24332	1.3
459.26324	0.8
460.23560	1.4
461.23199	0.9
462.20541	1.0
463.21140	1.2
465.22845	1.1
466.23187	0.8
475.25351	1.2
476.22202	2.8
477.22833	2.0
481.22653	0.8
483.23914	3.9
486.20905	1.3
493.22369	1.1
497.25800	0.9
498.26102	5.4
501.23392	3.7
502.20425	0.9
503.20114	1.0
507.24274	0.9
509.26477	0.8
511.23550	3.0
516.21271	1.2
521.25214	1.3
523.19897	1.2
524.24634	3.4
525.25885	0.9
526.25873	12.1
529.22308	1.2
531.23956	13.5
537.24689	2.0
547.23804	1.5
549.25098	3.3
571.38000	0.8
575.23212	4.9
579.25952	2.0
593.23804	2.2
597.27118	3.2
607.25555	5.4
621.41449	1.5
625.26611	10.3
639.28271	5.3
639.42365	2.7
640.68634	0.8
644.47986	0.9
657.29205	100.0
658.29639	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00310	0.5
55.05507	0.9
57.07075	6.4
58.06597	1.9
65.03935	0.6
67.05513	1.3
68.05015	0.6
69.07082	0.5
70.06596	17.5
71.05989	0.4
71.08621	3.2
71.53501	0.7
72.08142	0.6
74.06102	0.5
79.05507	0.8
81.03410	0.5
81.07056	1.1
82.65824	0.5
83.39057	0.5
84.08138	0.5
85.02892	0.4
85.10176	0.9
86.09711	0.6
88.07635	20.6
88.94958	0.5
91.05498	0.5
93.07040	0.8
95.05000	0.5
95.08633	0.8
97.02888	0.8
102.09182	15.0
105.03453	0.5
110.18121	0.5
112.15619	0.5
121.10133	0.6
131.04971	0.5
141.95866	0.5
147.04398	0.6
149.02351	33.0
175.03966	1.0
177.05435	0.7
191.07114	0.7
193.04973	43.1
212.23759	0.6
219.06447	0.6
237.07574	10.9
256.26358	41.0
269.04529	1.9
274.19357	0.5
291.19574	0.6
297.03937	2.7
300.29199	1.1
313.07236	2.0
341.06555	10.0
343.08005	0.5
359.07602	5.7
385.09161	20.6
429.11826	22.9
517.01324	0.5
658.35913	100.0
659.35913	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	658.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01852	4.1
55.05511	20.6
57.03439	16.1
57.07084	37.0
65.03936	3.3
67.05508	69.1
69.07072	22.2
69.21903	18.7
71.04987	5.2
71.08640	24.8
79.05079	2.5
79.05496	26.5
81.07063	55.5
83.04961	2.7
83.08628	22.4
85.06522	4.2
85.10184	15.0
87.04461	2.2
89.06044	12.6
91.05493	28.3
93.06562	2.5
93.07052	26.6
95.04970	2.7
95.08610	41.1
96.60126	2.1
97.06529	7.2
97.10164	16.4
98.20731	4.7
103.07603	2.4
105.07026	20.4
107.04986	2.9
107.08605	22.9
109.06503	4.6
109.10163	51.0
111.08070	4.1
117.07018	8.1
119.08593	29.3
121.06470	2.3
121.10126	8.3
123.11672	6.1
125.09649	11.7
131.08548	6.8
133.08603	6.6
133.10168	10.2
135.08035	5.8
135.11684	3.6
137.09630	3.4
143.08565	3.3
145.10139	11.8
147.08047	7.4
147.11679	8.4
149.09647	4.3
149.13174	4.0
155.10736	3.3
157.10172	2.9
159.08057	7.3
159.11674	6.7
161.13356	3.6
163.11165	3.7
173.09685	4.0
173.11734	10.3
173.13165	4.4
177.11151	2.0
179.14539	1.9
183.11674	3.0
189.11218	6.8
223.27121	2.3
227.12820	21.1
229.14357	60.9
239.23605	2.5
257.19046	4.4
269.17508	14.3
271.16937	3.4
275.20062	32.3
289.17960	9.3
293.21036	5.2
313.27390	100.0
314.27655	3.4
335.25772	11.2
349.23706	16.8
363.21664	3.1
367.24716	8.2
467.37408	48.9
507.40527	26.8
525.81860	2.2
587.46771	22.5
605.47711	19.8
623.43262	12.3
659.24493	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	660.4834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83793	5.2
55.05508	26.5
57.03442	13.7
57.07075	6.0
60.80399	6.8
67.05508	63.4
69.07072	42.9
71.52604	7.6
74.09720	24.2
75.12468	7.8
78.91865	6.1
79.05500	56.7
80.69453	5.4
81.03403	9.2
81.07072	55.4
83.08605	16.6
85.96445	5.7
85.99747	5.3
88.31094	5.9
91.05492	79.1
93.07042	58.4
95.04985	8.6
95.08608	38.6
97.06535	23.1
105.04528	6.0
105.07038	100.0
107.04957	17.9
107.08605	28.5
109.06535	8.3
109.10146	15.6
117.07026	18.3
119.08569	48.9
121.06526	6.4
121.10137	19.6
131.08551	28.8
133.10152	45.1
134.84631	6.7
135.11693	13.1
140.85649	5.6
145.10129	25.4
147.11708	25.4
157.10080	8.5
159.11682	17.2
161.13228	13.0
175.14868	7.1
177.28421	5.3
179.14244	9.1
195.00276	8.5
219.17404	21.1
229.67099	6.1
241.19485	12.5
257.19049	9.8
259.20605	19.5
275.20139	65.3
277.21695	8.9
291.19489	7.1
315.23218	7.8
333.24237	45.6
349.23752	27.1
488.33899	8.7
607.43512	67.5
642.44385	9.7
684.65454	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	661.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
63.02372	0.7
65.03948	1.0
67.05515	0.8
69.07074	0.7
70.06593	0.4
71.52939	0.4
78.04748	0.5
79.05488	0.7
81.03432	1.2
81.07064	0.6
85.02895	0.7
86.09692	0.4
89.03918	8.7
89.04428	0.7
91.05485	10.6
93.07053	1.3
95.04971	0.5
97.06554	0.5
103.03947	0.6
105.07054	0.7
106.04158	0.4
107.08617	0.7
109.02876	1.8
109.10120	0.9
117.03389	21.9
119.04951	20.5
119.08598	0.5
121.10175	0.4
123.08130	0.5
127.04002	0.8
134.03661	1.5
135.04424	1.7
135.11688	0.6
145.02856	48.7
146.03287	0.5
147.04417	87.0
148.04741	0.5
149.05983	6.2
163.03940	0.8
166.70094	0.4
177.05479	100.0
178.05862	0.8
186.05521	2.1
189.56065	0.4
213.14888	0.4
268.95453	0.4
273.07596	0.8
303.08649	0.9
447.55688	0.4
611.24414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10104	2.3
53.03939	5.0
55.01863	3.5
55.05512	32.1
57.03431	10.7
57.07072	9.5
63.17368	2.0
65.03960	3.1
67.05507	60.1
69.07072	26.7
71.04979	2.0
79.05074	3.3
79.05498	49.2
79.26646	2.4
81.03440	2.1
81.07063	56.6
83.04964	2.3
83.08600	11.5
85.06524	3.5
87.04467	17.5
91.04912	2.9
91.05487	55.0
93.07051	61.0
95.04971	5.3
95.08610	48.7
97.06523	5.7
97.10165	6.2
98.21567	3.6
103.05429	3.0
105.07032	58.1
107.08595	35.5
109.06519	2.5
109.10159	20.5
111.08070	3.4
115.05463	4.5
116.06258	2.3
117.07006	27.3
119.07822	3.5
119.08597	48.0
121.06514	2.7
121.10168	21.9
123.11709	3.7
128.06224	6.4
129.06996	19.6
130.07872	2.3
131.08563	33.8
133.10135	36.6
135.11684	12.2
141.06996	8.4
141.96387	2.4
142.07765	4.3
143.08565	18.5
145.10135	30.9
147.11707	19.7
149.13264	7.4
155.08556	12.6
157.10118	20.8
159.11690	21.2
161.13292	7.3
163.14822	5.0
167.08578	7.0
169.10109	18.1
171.11678	17.9
173.13293	10.4
175.14888	3.7
181.10124	9.9
181.30223	2.4
183.11719	17.5
185.11821	2.0
185.13188	13.0
187.14857	9.2
189.16360	6.3
192.82993	2.4
193.10165	2.8
193.40710	2.2
195.11691	8.8
197.13303	10.7
199.14845	8.7
201.16388	4.1
209.13246	7.6
211.14838	8.6
213.16425	4.7
223.14871	5.1
225.16368	5.2
227.18118	3.3
233.10059	2.5
235.14894	2.9
237.16376	5.5
239.18048	3.0
241.17798	3.4
251.18033	2.4
252.16087	2.3
257.18958	6.3
259.20633	6.6
307.20349	2.3
309.22116	2.9
333.24304	9.1
335.25992	4.8
351.26862	4.6
447.32626	5.4
501.35608	3.1
515.37225	2.5
517.40338	13.3
535.41187	5.8
540.37939	4.3
559.24994	2.6
591.43799	7.4
609.45154	100.0
610.44958	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	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44432	0.9
53.03939	3.3
55.01859	3.6
55.05512	34.6
57.03439	7.3
57.07073	2.5
59.04986	1.3
65.03928	2.0
67.05508	47.6
69.03431	4.5
69.07071	15.1
69.20290	6.1
69.20717	2.9
71.04980	1.7
79.05498	50.4
81.03402	1.5
81.07059	40.9
83.04971	5.2
83.08627	16.2
85.06526	2.5
87.04472	10.4
91.05486	26.6
92.75050	1.0
93.07046	38.1
95.04950	3.9
95.08610	26.8
97.06509	2.5
97.09560	2.1
97.10178	38.9
98.21534	2.1
99.08071	1.7
103.05497	1.1
105.04535	0.9
105.07037	24.7
107.04949	2.8
107.08598	48.2
109.06498	4.0
109.10170	16.0
111.08081	2.3
117.07018	7.9
119.07812	1.6
119.08589	15.8
121.06509	1.6
121.09352	1.4
121.10152	14.8
121.77060	1.0
123.11707	5.1
125.09636	34.4
129.07004	1.4
131.08585	14.1
133.10129	14.1
135.08054	5.4
135.11705	10.8
137.09633	1.5
140.21027	0.9
143.08554	2.7
143.10696	1.0
145.10146	13.1
147.11708	10.5
149.09615	4.2
149.13268	6.1
151.11139	1.4
153.09093	2.6
153.12711	2.0
157.10100	2.8
159.11685	7.6
161.09645	1.1
161.13240	3.7
163.11082	1.6
163.14807	2.6
165.12654	1.0
168.62117	0.9
169.10161	1.1
171.10130	3.3
171.11650	2.8
173.13260	4.4
175.14815	1.8
179.14377	1.3
183.11674	2.0
185.13237	4.1
187.14722	1.6
189.11240	19.1
201.16336	1.6
203.14325	1.2
215.17995	1.2
219.17426	1.8
223.14618	0.9
227.12785	100.0
229.19533	1.3
239.17944	2.1
241.19521	1.8
243.21111	3.9
257.18982	6.7
259.20523	3.7
261.22159	13.3
267.15909	3.1
275.20081	31.3
277.21677	2.6
293.21152	1.4
317.24774	1.5
331.22592	3.0
333.24246	4.0
335.25824	41.7
349.23740	31.2
351.25204	2.3
487.34012	3.3
505.35181	12.9
545.38184	1.4
552.28949	0.9
591.43298	1.5
609.45209	37.8
610.45111	1.9
627.45966	5.4
653.92627	0.9
657.50739	1.1
662.44830	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.0
55.01881	8.0
55.05515	37.9
57.03441	20.4
57.07073	7.3
57.92395	1.5
60.60931	1.8
63.52206	1.5
65.03935	5.4
67.05507	99.5
69.03435	3.3
69.07072	42.2
69.80882	4.6
69.81314	4.9
70.07363	1.4
71.04994	4.8
71.08619	1.8
79.05495	76.6
81.03408	3.3
81.07059	100.0
83.04981	10.1
83.08624	20.6
84.04628	1.4
85.06543	7.3
87.04465	21.0
91.05484	60.4
93.07050	83.8
95.04965	12.2
95.08611	70.4
97.06548	11.3
97.10181	20.6
99.08112	3.2
103.05494	2.8
105.04566	4.0
105.07034	58.5
105.62959	1.8
107.04959	5.5
107.08599	51.0
109.06528	4.6
109.10159	33.5
111.08088	4.1
113.09662	1.9
115.05490	2.9
116.78032	1.6
117.07023	18.7
119.08588	40.9
121.06499	4.3
121.10146	33.6
123.08070	4.8
123.11730	8.4
125.09645	15.4
129.07021	11.3
130.07774	2.1
131.08566	29.6
133.10141	32.8
135.08064	5.7
135.11685	19.4
137.09618	3.8
137.77750	1.6
141.06976	2.5
141.08960	1.5
143.08554	11.2
145.06400	2.4
145.10135	33.0
147.08067	2.0
147.11693	24.2
149.09642	10.6
149.13286	8.8
151.11215	2.3
155.08516	4.8
157.10129	8.3
159.11710	21.3
161.09665	2.7
161.13255	10.7
163.11186	6.6
163.14781	4.0
169.10170	4.3
171.10339	2.4
171.11641	7.4
173.13258	14.2
175.14886	4.2
177.16299	1.6
179.14314	4.0
183.11685	6.4
185.13266	10.0
187.14812	3.8
189.11259	8.3
189.12697	2.2
195.11717	2.2
197.00365	2.4
197.13263	3.0
199.14839	2.5
201.16388	3.0
203.14380	4.0
205.15800	2.5
211.14877	2.6
213.16441	2.2
217.07961	1.5
217.15887	1.9
219.17419	3.7
227.12759	28.1
229.14268	3.1
229.19519	4.3
233.18988	2.0
235.92801	1.7
239.17996	7.6
241.19612	2.3
243.20941	2.3
247.20554	3.2
255.15996	3.0
257.19012	16.8
259.20532	4.9
261.22144	8.7
267.16000	4.5
269.17477	2.2
275.20074	50.9
277.21561	3.1
293.21161	3.3
313.27429	2.6
317.24756	1.9
327.07748	2.2
331.22659	3.7
333.24240	3.4
335.25812	87.9
336.25885	1.8
349.23694	42.4
351.25351	2.5
367.24976	2.2
431.31497	4.7
467.37381	2.1
489.35742	9.8
505.35315	5.6
513.39758	2.4
515.37421	4.9
529.38690	10.5
546.41437	6.0
569.41730	5.6
609.45135	40.1
626.47449	1.7
627.46777	7.6
644.48914	2.4
662.34039	3.1
662.45654	6.7
663.47363	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02391	1.0
53.03953	8.3
55.01868	4.6
55.05516	29.0
57.03447	11.8
57.07074	3.7
59.03155	1.0
59.93456	1.1
61.33875	1.2
64.64338	1.2
65.03941	4.0
67.05510	97.6
69.03432	2.9
69.07074	33.4
70.70262	3.7
71.04983	4.3
79.05499	79.4
81.03422	5.5
81.07061	100.0
83.04990	10.0
83.08630	14.4
85.06542	5.1
87.04487	6.9
91.05490	59.2
93.07051	84.7
95.04989	12.0
95.08616	59.8
97.06541	11.2
97.10181	5.2
99.08105	3.8
103.05451	2.7
105.04528	3.6
105.07037	43.7
107.04970	4.1
107.07876	2.5
107.08602	44.7
108.46606	1.1
109.06517	7.5
109.10165	25.0
111.08096	5.1
117.07021	19.4
119.08587	27.7
121.06509	3.7
121.10159	36.0
121.11048	1.7
122.23639	1.4
123.08096	5.1
123.11726	8.1
125.09667	1.4
129.07025	5.8
130.07921	1.2
131.08580	26.5
133.10141	23.8
135.08060	3.5
135.11699	21.6
137.09648	4.4
143.08588	6.7
145.10146	16.9
146.10596	1.2
147.08081	2.1
147.11691	15.1
149.09656	9.1
149.13269	15.7
151.11227	2.2
155.08592	2.3
157.10101	5.8
159.11702	17.7
161.09624	1.6
161.13237	6.7
163.11212	5.6
163.14903	3.0
169.10153	3.8
171.11690	5.7
173.13217	9.1
175.11191	1.6
175.14830	2.9
177.12764	4.6
181.12367	1.2
183.11674	2.2
185.13243	2.9
187.14844	4.6
195.13773	5.6
197.13283	1.9
199.14862	2.8
213.16313	1.8
229.14449	2.8
233.15622	2.1
235.16963	2.0
239.18094	2.9
243.21101	2.7
247.20667	2.2
251.16385	1.7
255.15909	10.7
257.19113	7.0
259.17130	1.2
259.20554	2.8
261.22177	12.0
267.15912	2.3
269.17487	17.2
275.20068	26.9
277.21783	2.3
293.21237	2.8
317.24664	2.2
331.22729	1.9
333.24329	1.6
335.25827	77.7
336.25916	1.3
349.23730	17.2
367.24661	1.5
437.34061	2.0
489.35718	1.8
515.37280	21.1
529.38922	89.5
530.39087	2.6
569.42224	7.0
609.45300	13.2
627.46094	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	662.499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.05514	30.9
57.03445	13.2
57.07079	10.7
57.82760	2.4
65.03922	5.1
67.05508	73.9
68.30396	2.4
69.07079	30.5
69.22314	21.6
71.05005	3.0
71.08640	35.6
74.09739	3.4
77.42320	2.8
79.05500	78.3
80.05797	2.9
81.03423	6.8
81.06591	4.8
81.07063	89.6
81.14313	2.8
83.04977	8.7
83.08627	18.0
84.08166	4.2
85.06544	5.8
87.04475	36.9
91.05486	69.0
93.07048	95.7
95.04963	13.3
95.08617	60.5
97.06520	11.6
97.10176	5.1
98.20795	4.7
99.08098	21.9
105.04504	3.3
105.07042	69.2
107.04967	12.3
107.08601	54.5
109.06496	6.0
109.10161	22.2
110.09682	8.7
113.09679	3.1
117.07030	19.3
119.07803	4.7
119.08585	51.4
121.06476	4.0
121.10147	41.9
123.08102	3.3
123.11734	6.7
125.09633	3.6
129.06990	8.8
131.08598	25.6
133.10129	38.0
135.08054	2.9
135.11694	37.9
137.09657	4.3
140.10753	4.2
141.06975	2.9
141.09120	3.5
143.08577	12.9
145.10103	23.2
147.11681	26.1
149.09596	5.4
149.13303	14.3
151.11182	10.0
157.10136	7.4
159.11696	17.7
161.13271	24.6
163.11185	6.5
163.14799	6.3
167.10742	2.8
168.10217	4.6
169.10103	3.6
171.11708	9.6
173.13245	8.6
175.14835	11.8
177.12698	4.3
179.14319	78.0
180.14653	4.8
185.13321	7.3
189.12747	2.8
189.16232	2.9
199.14799	4.9
201.16373	3.8
207.13763	3.1
231.21222	4.0
241.19615	19.4
257.19000	4.5
258.21765	3.0
259.20593	33.9
271.89355	2.7
275.20105	7.5
277.21603	56.2
278.21756	3.5
293.21100	7.9
294.21552	4.9
315.23209	11.9
333.24237	61.6
335.25784	6.5
349.23856	5.6
351.25305	45.7
352.25351	2.8
368.77682	2.9
609.45129	100.0
610.45569	5.4
627.46039	9.5
644.45782	8.2
648.58234	3.1
662.45813	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	663.359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
54.27689	1.1
55.01852	1.7
55.05513	19.7
57.03427	1.2
57.07058	4.0
65.03963	1.3
67.05512	14.0
69.03423	9.2
69.07072	31.3
71.04979	4.6
71.53210	2.2
77.90443	1.3
79.05484	9.4
81.03419	10.3
81.07060	63.6
83.04993	5.7
83.08611	4.6
85.02441	1.5
85.02908	19.3
85.06550	8.0
86.09699	2.4
87.04440	1.5
91.05487	8.4
93.07048	21.7
95.04972	12.6
95.08611	45.3
97.02907	10.1
97.06538	9.1
97.10175	34.4
98.55766	1.2
99.04465	14.0
99.08074	4.6
101.05995	2.0
103.03943	20.0
105.07027	17.0
107.04957	1.3
107.07888	1.8
107.08601	26.7
107.09679	1.4
108.70358	1.2
109.02873	8.4
109.06548	6.1
109.10165	18.9
111.08075	8.8
111.11725	12.1
115.07591	1.5
117.07015	1.5
119.04938	2.5
119.08580	15.6
121.06498	1.6
121.09339	1.6
121.10152	24.2
123.07974	2.9
123.11713	35.9
125.09646	3.9
127.03927	26.4
127.07603	1.2
129.07004	1.3
131.08557	5.4
133.10121	10.8
135.08025	1.7
135.10719	1.4
135.11694	17.2
137.09570	3.7
137.13287	8.6
139.11180	25.8
143.04279	1.3
145.02931	1.3
145.04987	9.1
145.10155	8.5
147.04387	7.9
147.07930	1.2
147.11690	18.2
149.09601	3.5
149.13242	4.8
151.11182	5.5
153.12762	17.3
157.10152	2.2
157.12242	19.0
159.11690	11.8
160.95850	1.4
161.13275	5.7
161.82460	1.4
163.03879	2.5
163.06013	5.2
163.11157	4.4
163.14740	2.1
165.12761	11.7
169.12273	2.2
171.11687	1.4
173.09541	1.2
173.13269	3.2
175.14763	3.0
177.05466	1.7
177.12680	1.7
179.14337	1.5
184.07309	1.5
187.06017	1.5
187.13249	3.0
187.14760	2.0
189.12822	1.8
189.16368	1.5
191.14253	1.5
193.15999	1.2
201.16321	1.7
201.26186	1.1
203.12802	8.5
204.06512	2.0
205.07021	1.2
205.15865	3.3
211.14819	2.0
215.18047	1.5
219.17400	1.8
231.74806	1.2
233.15376	1.7
233.19090	2.0
237.18408	1.4
247.16925	1.5
251.16408	6.9
265.17969	1.5
267.21118	2.9
269.17407	2.1
271.08075	1.8
275.20306	1.7
275.23700	4.1
277.21625	2.7
285.22125	4.2
287.19955	2.5
289.09106	1.5
291.23154	9.0
295.22672	2.8
303.23199	45.2
304.23669	1.5
305.21283	1.7
307.10016	1.9
309.24222	8.7
313.17792	1.4
321.24240	100.0
322.24835	1.6
331.18936	1.4
333.20676	2.1
339.25311	28.9
357.26260	5.7
447.27222	2.6
609.32642	1.3
652.37494	1.4
663.29095	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	663.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	0.5
57.07076	50.9
57.07476	1.4
67.05484	0.4
71.12548	0.9
77.03973	0.8
79.05474	0.6
81.07000	0.8
87.04440	1.0
91.05478	6.6
93.07027	0.7
95.04921	0.6
95.08549	0.6
105.07002	1.6
107.08559	0.8
109.10105	0.5
117.07015	0.9
119.08536	1.0
132.09297	0.7
133.10081	0.5
135.11763	0.5
147.11681	7.1
152.06200	0.8
153.07008	3.4
154.02055	0.5
161.04179	0.4
168.29320	0.4
171.07965	0.6
174.14485	0.5
175.01422	0.5
228.09245	1.1
229.10136	1.0
233.03622	5.8
237.89970	0.4
251.04678	16.1
307.10803	2.2
327.07791	100.0
328.08060	1.3
330.48120	0.4
363.16943	0.7
368.09952	0.5
370.26495	0.4
383.14053	72.5
384.14304	1.3
426.03625	0.5
439.20343	76.4
440.20544	1.2
495.26566	66.7
496.26813	1.6
551.32843	92.3
552.33063	2.6
607.39081	77.3
608.39587	2.4
663.35919	1.0
663.45355	21.4
664.45837	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.463
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78892	0.6
55.05300	0.5
55.05511	5.3
57.03443	11.3
57.07079	24.2
59.05012	3.5
61.02932	4.7
63.47624	0.6
65.03936	0.7
67.05508	60.2
69.03419	1.4
69.07068	5.3
71.04993	2.6
71.08636	20.0
73.02924	1.4
79.05491	1.8
81.06594	0.9
81.07059	16.8
83.08626	10.6
83.93826	0.6
85.02903	4.5
85.06526	2.0
85.10191	10.9
89.06026	1.3
91.03954	1.9
91.05481	3.7
93.07032	2.8
95.08614	17.1
97.02881	2.3
97.10167	3.2
99.04382	0.6
99.08095	1.1
103.07551	1.3
107.08580	1.3
109.10164	71.0
111.08087	1.9
119.08581	3.8
121.10103	0.6
123.11744	2.6
125.13303	0.8
127.03958	0.9
129.75963	0.5
137.09607	2.4
137.13194	0.8
145.05051	0.5
155.10672	7.9
173.11746	15.9
176.62283	0.5
184.07388	0.7
221.22656	0.6
229.14366	100.0
230.14624	1.1
239.23711	2.0
257.24747	1.0
313.27380	78.1
314.27695	0.7
467.37357	61.7
468.37369	0.9
475.84973	0.6
489.02332	0.6
539.73572	0.7
664.45654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
55.01863	3.9
55.05514	27.4
57.03427	12.3
57.07065	9.8
62.71308	3.5
67.05506	77.1
67.73305	3.0
69.03439	4.6
69.07069	24.7
71.04972	3.9
71.17294	6.9
75.84691	2.9
79.05492	35.5
81.06596	5.3
81.07059	100.0
83.04971	3.8
83.08636	15.6
85.06536	4.0
90.66423	4.1
91.05479	42.7
93.07047	50.9
95.04967	5.3
95.08614	64.4
97.06538	8.8
97.10172	7.3
98.98464	54.1
102.55534	3.4
105.07041	34.1
107.04934	5.3
107.08599	26.6
109.06493	6.7
109.10165	21.2
117.06998	8.9
119.08590	23.8
121.10172	19.0
123.11716	9.1
125.09605	4.5
131.08562	11.8
133.10143	13.8
135.11707	10.6
137.09653	4.0
145.10124	13.4
147.11696	9.4
149.09618	3.5
149.13239	7.7
157.10136	5.0
159.11647	6.4
161.13329	4.2
163.11121	4.2
164.73587	3.6
171.11758	4.6
173.13251	6.1
174.99217	9.2
184.07466	3.1
250.99976	9.2
255.15884	8.4
257.19150	4.7
269.17532	13.0
275.20068	17.3
327.00763	4.1
327.07919	16.4
337.23236	4.1
337.27383	70.3
349.23804	17.3
349.27802	4.0
379.18948	3.7
383.14175	3.8
384.14325	5.3
440.20889	5.4
471.34338	3.0
496.26532	7.4
517.39087	17.3
531.40631	58.8
539.29120	3.3
552.32886	6.7
571.43665	15.4
590.29340	3.7
611.46155	11.2
629.47302	5.4
664.48450	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	3.5
52.15706	1.8
53.03945	7.8
55.01879	5.2
55.05515	28.8
56.56711	2.1
57.03442	14.0
57.07071	9.5
62.39769	2.1
65.03922	4.0
67.05508	96.8
69.06741	2.5
69.07075	35.3
69.33294	14.7
71.04984	5.6
71.08619	7.0
79.05074	3.6
79.05499	51.5
81.03409	4.4
81.07057	100.0
83.04987	9.4
83.08614	20.4
85.06548	4.6
91.05489	50.1
93.07048	71.7
95.04977	10.3
95.08611	65.1
95.10789	2.0
97.06537	6.4
97.10171	13.3
98.98493	2.2
99.08090	5.9
105.04507	5.1
105.07034	33.7
107.04942	4.3
107.08595	42.9
109.06506	4.1
109.10159	31.4
111.08106	5.7
115.05456	3.8
117.07025	17.1
119.08589	31.2
121.10137	23.7
123.08061	4.6
123.11690	13.0
125.09629	6.4
126.63558	1.9
129.07007	4.1
131.08559	19.4
133.10149	20.9
135.08073	3.2
135.11691	20.3
137.09642	3.2
137.13315	2.5
139.11182	3.1
143.08557	6.1
145.10109	15.3
147.11707	15.7
149.13257	14.7
151.11169	4.8
157.10106	4.6
159.11700	12.5
161.13284	6.3
163.11182	5.0
163.14786	5.7
171.11644	3.9
173.13269	7.0
175.11115	2.7
175.14821	3.4
177.12740	5.6
177.46611	2.3
179.14307	3.2
183.11572	2.7
184.07278	2.4
185.13332	2.8
187.14775	4.9
189.11247	4.2
195.13803	4.9
197.35658	2.2
199.14818	2.5
215.46985	2.0
227.12784	17.3
229.14325	6.5
233.18912	2.7
243.21152	4.4
255.15704	3.3
257.19064	8.9
259.20599	2.9
261.22141	4.3
263.23721	3.5
269.17450	26.3
275.20059	19.1
277.21588	8.9
293.21127	3.4
327.07986	3.9
331.22656	2.8
335.25876	29.9
337.27390	42.0
349.23703	15.0
351.25372	11.7
376.98221	2.6
384.14230	2.6
467.37592	2.6
489.35477	6.2
491.37332	11.2
496.26904	2.2
507.36731	2.7
515.41248	3.0
517.39056	2.6
529.38934	59.4
531.40344	6.1
551.32709	3.1
552.33167	5.0
608.39319	4.0
611.46753	27.5
629.47357	7.9
653.12128	2.7
664.50800	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	664.515
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66940	5.0
53.03940	6.7
54.19082	6.1
55.05502	20.9
55.54357	6.1
57.03421	7.2
57.07064	11.6
67.05170	7.6
67.05504	63.2
69.07063	20.1
70.68473	9.7
70.68803	9.1
71.08621	6.3
73.69587	4.9
77.07436	4.8
79.05502	41.8
81.07058	38.8
83.08624	13.9
87.04478	7.1
90.57748	6.0
91.05470	40.6
93.07043	48.5
95.08608	42.3
105.07021	38.1
107.04952	6.1
107.08592	22.1
109.10173	29.6
117.07030	23.5
119.08592	28.3
121.10141	21.1
129.07016	12.2
131.08551	25.3
133.10129	18.7
135.11757	10.1
145.10098	20.8
147.11708	13.4
149.13231	6.8
157.10155	14.3
159.11755	9.6
169.10217	8.7
171.11658	7.6
173.13214	6.7
184.07344	13.2
185.13239	7.0
197.13348	7.3
222.93430	5.7
229.14351	13.3
259.20593	6.6
313.27313	12.1
335.25916	7.4
368.99692	6.4
467.37277	11.1
519.42175	11.4
593.45386	11.8
611.46722	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01892	1.6
55.05509	12.7
57.03435	2.7
57.07074	5.6
57.70335	1.1
61.02929	2.3
65.03944	2.4
67.05509	16.6
68.20109	1.1
69.03432	13.8
69.07072	24.2
69.32598	1.0
69.77065	4.2
71.04984	5.5
71.08630	2.6
73.02900	2.1
79.05076	1.5
79.05497	17.7
81.03419	19.7
81.07058	63.8
83.04974	3.0
83.08625	13.6
85.02909	58.6
85.06558	2.0
85.10194	1.3
86.09727	2.3
91.05474	12.6
93.07047	42.9
95.04959	5.0
95.08611	59.0
97.02902	19.4
97.06551	6.0
97.10181	12.4
99.04456	40.5
99.08089	2.5
101.52434	1.1
103.03945	74.8
105.07034	19.1
107.08600	44.0
109.02876	18.4
109.06535	4.5
109.10163	39.9
109.10928	1.3
111.08082	4.7
111.11722	4.9
112.49481	1.1
115.03143	1.2
115.03902	1.5
117.07012	1.5
119.08581	19.4
121.06449	1.7
121.10147	34.5
123.08074	3.6
123.11707	26.0
125.09648	5.7
127.03920	88.8
131.08586	4.6
133.10130	29.5
135.11688	23.6
137.09647	5.3
137.13210	5.9
139.11189	4.7
142.98039	1.2
145.04967	36.2
145.10123	4.4
147.04442	1.7
147.11682	16.0
149.09633	1.3
149.13261	57.4
151.11176	4.8
151.14810	3.0
153.12634	2.1
157.10127	2.9
157.12288	1.4
159.11673	9.0
161.09644	1.6
161.13271	8.0
163.03960	1.7
163.06036	28.3
163.11182	2.2
163.14851	13.8
165.09148	1.2
165.12735	4.6
165.16359	2.6
167.14444	1.1
171.11696	1.6
173.09528	1.1
173.13271	4.4
175.14836	5.3
177.12727	3.1
177.16435	6.5
179.14273	2.5
179.17728	1.2
181.12283	2.6
181.15862	1.5
184.07336	7.3
185.07724	1.5
187.06026	4.6
187.14853	2.0
189.16350	7.4
191.14232	2.5
193.12241	1.4
193.15891	2.2
195.13765	3.7
195.17465	3.0
199.14859	1.9
203.17938	2.0
205.07085	3.7
205.15822	2.1
209.15411	2.1
211.16875	1.6
213.16397	1.9
217.19562	1.4
223.16991	2.9
243.21149	1.7
249.18483	2.9
253.23869	1.2
254.93092	1.3
259.21405	1.8
259.24173	11.0
261.22238	1.9
269.22592	7.2
271.08145	4.3
275.23758	4.8
277.25272	16.4
279.23138	2.8
287.23691	9.9
289.09195	5.3
293.24713	22.7
305.24747	100.0
307.10208	6.6
323.22021	2.1
323.25793	36.0
341.26743	1.3
395.25644	1.4
413.27078	1.9
431.27872	2.7
449.28955	3.6
462.59537	1.2
467.29727	1.8
575.32074	1.8
593.32617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4343
Annotation	PAz-PC
Peak:m/z	Relative Intensity
55.05513	0.3
56.05034	0.7
57.07074	0.2
58.06623	0.5
60.08164	5.9
67.05499	0.3
69.07060	0.1
70.06590	0.2
71.07372	3.0
71.08618	0.1
71.53569	0.2
75.14305	0.1
79.05489	0.2
81.07038	0.2
86.09707	28.1
93.07042	0.2
95.08623	0.1
97.10175	0.3
98.98467	3.0
104.10742	2.1
107.08572	0.2
110.75163	0.1
125.00007	18.3
143.01001	0.1
184.07344	100.0
185.07698	0.3
245.06502	0.1
279.73755	0.1
483.36658	0.2
496.33820	0.2
535.54254	0.1
550.90759	0.1
666.43402	9.2
667.43951	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	666.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.3
53.45560	1.2
55.01875	2.7
55.05519	18.2
57.03432	4.5
57.07074	6.5
58.16525	1.3
65.03960	1.5
65.47832	1.1
67.05511	58.7
69.07075	19.4
71.04987	2.6
71.08643	6.1
79.05496	25.6
81.03410	2.4
81.07062	61.3
83.04971	6.7
83.08627	13.0
85.06539	2.5
91.05494	18.8
93.07050	34.0
95.05015	5.7
95.08614	39.6
97.06554	6.3
97.10180	5.2
98.98489	1.6
99.08104	2.2
105.07044	16.3
107.08606	17.3
109.06531	2.0
109.10166	12.8
111.08094	3.8
113.09678	1.8
117.07025	6.4
119.08594	9.2
121.06442	1.3
121.10122	9.4
123.08111	1.9
123.11713	5.6
125.09612	1.9
129.07021	1.9
131.08595	5.8
133.10164	7.9
135.11751	7.1
137.09657	1.5
137.13255	2.2
139.11131	1.6
145.10114	3.1
147.11687	4.6
149.13266	6.9
151.11186	4.2
153.12881	1.3
159.11699	3.6
161.13263	2.2
163.14824	2.0
165.12849	1.4
171.11610	1.8
175.14856	3.1
195.13837	5.1
227.12750	1.8
229.14355	1.4
233.15396	1.7
251.16473	2.2
253.05412	1.2
259.20691	1.8
263.23669	2.8
269.17532	13.3
277.21674	5.5
291.19598	3.6
302.02359	1.4
328.08060	1.6
329.08347	2.4
337.27368	31.9
351.25259	10.5
369.26410	1.8
384.14368	1.4
385.14691	2.5
442.21216	1.3
491.00443	1.4
491.37225	3.9
498.26974	1.7
501.71539	1.3
531.40503	100.0
532.40741	3.6
553.33807	2.5
554.33820	2.8
573.40833	1.5
610.39905	2.9
613.48462	9.4
631.48810	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	666.5305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80652	1.9
53.03946	5.9
53.67303	1.8
55.01865	3.8
55.05514	41.3
57.03438	5.1
57.07060	5.7
59.74142	2.1
63.55629	1.8
65.03950	2.4
67.05508	71.2
69.03427	5.4
69.07073	23.0
71.05013	2.4
71.08617	26.1
73.19823	2.0
76.65705	1.9
79.05499	35.9
81.07059	70.1
83.04977	6.2
83.08617	30.0
91.05475	21.7
93.07047	33.4
95.04987	5.1
95.08607	48.6
97.06523	5.2
97.10177	43.9
99.08101	12.9
105.07037	16.4
107.08611	26.9
109.06503	2.7
109.10153	21.9
111.08121	3.0
111.21114	2.0
117.07028	3.2
119.08585	15.3
121.10136	11.5
123.11700	6.3
125.09640	33.4
133.10153	13.5
135.08069	5.1
135.11676	5.7
137.09648	2.3
137.13307	2.9
145.10094	3.4
147.11696	6.5
149.13316	4.0
151.11212	7.8
153.09116	3.6
156.03767	2.0
159.11807	2.0
161.13283	7.4
163.11211	2.1
163.14815	3.2
175.14809	4.0
179.14291	7.3
189.11206	19.5
227.12784	100.0
259.20520	2.4
263.23840	3.7
273.18515	2.7
277.21646	17.9
291.19528	7.2
337.27380	42.1
341.27148	5.0
351.25305	41.8
351.29492	2.3
353.26797	2.2
391.76526	2.2
393.22699	3.2
435.34518	11.1
507.36923	43.7
515.41437	11.5
517.39301	4.2
613.48193	52.9
631.48792	5.8
667.31262	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	666.578
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72182	0.3
56.15135	0.3
57.07080	3.3
67.05516	0.4
69.07063	0.6
70.06257	0.5
70.06594	5.7
71.08636	1.8
71.53313	0.7
75.46859	0.4
77.09032	0.4
79.05477	0.9
81.03397	0.6
81.07053	0.8
85.10152	0.6
88.07641	8.0
91.05481	0.6
93.07035	0.7
95.08620	0.5
97.06521	1.0
102.09180	2.8
105.07031	0.8
106.08022	0.5
106.08675	4.8
107.04978	0.4
109.04526	0.4
109.06554	0.4
130.37697	0.4
163.03970	0.4
173.00731	0.4
189.09070	0.4
215.06993	1.1
217.08566	0.6
230.24503	0.5
256.26331	3.7
259.09717	0.8
266.24817	1.1
274.27405	100.0
275.27795	1.3
375.30200	0.4
393.31146	2.9
609.96588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01870	0.3
55.05504	0.3
57.73529	0.2
63.02375	0.4
64.03659	0.2
65.03926	0.3
67.05489	0.8
69.03426	0.3
69.07062	0.5
70.64159	0.5
71.55391	0.2
75.59142	0.2
77.03922	0.3
79.05492	1.2
81.03414	0.9
81.07047	0.8
83.04960	0.4
83.08640	0.3
85.02898	0.4
86.09711	0.3
89.03916	5.3
91.05482	0.4
93.07056	0.5
94.07407	0.2
95.04964	0.7
95.08592	0.6
96.13992	0.2
97.02865	0.2
97.06512	0.3
100.11266	0.3
103.05445	0.2
105.03387	0.4
105.04471	0.2
105.07023	0.2
107.04968	1.7
107.08576	0.3
109.02879	0.2
109.10168	0.3
109.94664	0.2
111.04409	0.5
111.08098	0.2
111.72528	0.2
115.05476	0.2
117.02525	0.3
117.03380	6.4
119.04945	0.3
119.08605	0.4
121.02873	0.2
121.10155	0.3
123.04427	8.4
123.11690	0.2
125.09595	0.2
127.03942	0.6
131.04927	1.0
133.02835	1.8
134.03677	0.3
135.04417	14.0
136.06197	1.8
137.02368	2.5
139.03929	0.3
145.02855	10.9
147.04395	1.5
147.11694	0.3
151.03902	0.9
159.04393	1.0
160.05212	2.5
161.02348	0.5
161.05972	0.3
163.03903	100.0
164.04265	0.5
165.07069	1.0
169.06436	0.2
173.02339	3.9
173.03699	0.3
174.02928	0.2
175.03944	1.0
179.03459	0.2
181.05029	1.6
184.07497	0.2
186.05466	0.4
187.03967	0.5
191.03375	4.6
193.06537	0.6
197.05954	0.7
202.84431	0.2
204.04106	0.4
205.04890	0.2
205.06488	0.4
211.07539	0.7
221.05974	2.1
222.06702	0.5
223.07538	0.8
225.05455	0.4
233.06036	0.4
237.05420	0.5
239.07021	2.1
247.07687	0.2
249.05446	1.8
250.06271	0.7
250.26488	0.2
251.07028	1.1
255.06525	3.2
263.06888	0.3
265.05026	0.8
265.10629	1.1
267.06534	3.8
268.07324	9.5
269.08014	0.6
270.08694	0.2
273.05527	0.2
275.06958	0.4
278.05554	0.2
279.06534	0.5
283.05945	0.3
291.06543	0.8
295.06012	17.8
296.06778	0.4
303.06424	0.3
307.26340	0.3
309.09088	0.4
313.07028	4.1
314.07852	0.6
319.06000	2.6
321.07443	1.2
325.07144	0.6
337.08490	0.6
347.05438	2.9
355.09586	0.6
365.06442	2.5
383.09094	0.9
393.07632	0.9
401.10278	0.6
411.08597	1.7
419.07870	0.4
419.17017	0.4
429.09695	7.8
439.08047	0.7
457.09293	2.9
469.11279	0.3
475.10355	3.3
487.12381	2.5
635.79572	0.2
649.15326	0.8
667.50830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38972	0.3
53.03948	0.4
55.01860	0.3
55.05511	0.6
59.63484	0.2
63.02381	0.3
67.05482	0.7
69.03427	0.4
69.07080	0.3
70.58100	0.2
70.77120	0.7
73.80029	0.2
77.03912	0.4
79.05489	0.9
79.96136	0.2
81.03413	0.9
81.07057	1.1
85.02898	0.6
85.69874	0.3
89.03922	4.1
91.05484	0.7
92.29153	0.3
93.07047	0.7
95.04970	1.1
95.08638	0.4
97.06576	0.3
97.10165	0.4
99.04452	0.3
103.03956	0.3
105.03393	0.7
105.07036	0.5
107.04987	1.2
107.08608	0.5
109.10123	0.4
117.03388	5.6
119.08593	0.5
121.10173	0.4
123.04433	7.0
127.03930	0.6
131.04950	0.5
133.02863	7.3
135.04425	11.4
136.06161	1.6
137.02359	1.3
145.02858	10.5
145.03993	0.5
147.04373	0.8
151.03909	5.7
159.04459	0.5
160.05182	1.2
163.03915	100.0
164.04289	0.7
165.07048	0.5
173.02359	1.7
175.03976	0.4
184.07439	0.4
187.04092	0.3
191.03419	2.2
211.07512	0.3
221.05988	0.6
223.07619	0.3
239.07149	0.3
249.05458	0.5
251.06984	0.5
255.06541	0.7
267.06519	1.0
268.07397	1.6
269.08054	0.5
295.06024	9.4
313.07071	6.5
314.07788	0.4
319.05984	0.4
321.07721	0.4
325.07181	0.8
347.05515	0.4
365.06604	2.2
411.08957	0.4
429.09784	1.1
457.09171	0.4
475.10400	2.9
487.12314	1.0
505.10471	0.3
557.12158	0.3
649.16071	0.4
667.33545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71782	0.3
53.03933	0.4
53.65377	0.3
55.05500	0.5
58.19279	0.3
67.05491	0.9
69.03396	0.3
69.07062	0.5
70.06572	0.3
70.64219	0.6
71.29381	0.3
73.24858	0.3
74.09720	0.3
79.05494	1.4
81.03413	0.8
81.07052	1.1
81.21894	0.2
83.04967	0.4
83.08610	0.5
84.08135	0.3
85.02892	0.8
85.06545	0.5
89.03915	4.0
91.05473	0.6
93.07045	1.0
95.04965	1.0
95.08618	0.6
97.02870	0.4
97.06521	0.7
99.04490	0.3
100.11237	0.4
105.03447	0.3
105.07008	0.4
107.04980	1.5
107.08599	0.5
109.02928	0.6
109.10144	0.5
115.05445	0.4
117.03384	5.5
119.08562	0.7
121.06511	0.4
123.04434	7.5
123.08121	0.3
123.11716	0.4
127.03926	0.6
133.02852	7.4
133.10147	0.3
135.04420	12.5
136.06194	2.9
137.02339	0.7
145.02849	8.9
145.04008	0.5
147.04393	0.9
147.11642	0.3
151.03915	5.8
159.04300	0.3
160.05217	1.3
161.05988	0.4
163.03906	100.0
164.04242	0.9
165.06998	0.3
165.12778	0.3
166.87424	0.3
173.02356	1.7
175.03853	0.5
184.07387	0.3
186.05589	0.6
191.03380	1.4
193.12386	0.3
221.06081	0.5
223.07545	0.4
239.07018	0.4
247.07626	0.3
249.05449	0.6
251.07051	0.4
255.06566	0.7
266.64499	0.3
267.06610	1.1
268.07401	1.6
295.06024	9.2
296.06656	0.4
313.03577	0.3
313.07034	6.8
314.07712	0.4
319.05997	0.4
321.07782	0.5
325.07047	0.5
333.20181	0.4
347.05487	0.8
365.06381	2.2
382.46759	0.3
400.30527	0.5
401.30545	0.4
429.09830	1.3
457.09177	0.8
475.10245	4.3
487.12244	0.8
621.60809	0.3
634.68195	0.3
649.15607	0.6
666.50323	0.3
667.32867	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71560	1.3
67.05492	1.2
69.44389	2.9
69.44807	5.6
71.13298	1.2
82.45592	1.0
88.28107	1.1
93.07054	1.1
95.01221	1.1
95.04965	1.1
95.08640	1.4
111.20232	1.2
184.07397	1.2
249.10429	1.6
299.69159	1.1
324.14975	1.8
352.14389	2.1
380.14075	1.6
381.11060	1.7
389.17960	1.9
390.18414	2.3
391.19281	5.9
398.15021	2.0
403.19113	3.4
404.20334	2.2
405.20923	9.3
406.21915	2.7
410.11197	1.5
417.21259	1.6
419.22528	3.6
420.23288	1.6
428.16046	2.9
433.19928	5.5
435.18167	3.1
445.20578	1.8
447.21985	3.7
449.19733	5.3
450.20706	2.7
457.17572	1.4
461.19791	4.6
462.24438	1.7
463.21478	4.9
465.22778	6.8
473.20001	3.8
479.20749	1.6
487.21481	3.4
489.19141	2.2
491.20886	1.7
493.22171	25.4
501.19504	3.6
505.22626	2.0
515.20984	4.6
516.21802	4.1
519.24341	2.6
521.25616	9.5
533.22015	3.1
537.24994	3.4
547.23663	5.7
551.26904	10.0
552.27344	2.0
561.21472	1.9
565.24469	21.5
575.23303	8.5
579.25989	12.5
580.26825	65.7
581.27179	1.7
607.25555	37.8
635.25067	29.0
639.28033	7.4
649.26709	11.1
667.27667	100.0
667.45184	3.1
668.28180	3.5
675.13672	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08693	1.3
53.12987	1.1
53.75072	1.2
55.05507	1.6
57.07074	1.5
65.53843	1.2
67.05493	2.7
67.96379	1.3
69.26008	9.5
81.07050	1.5
91.05451	1.2
93.07076	1.2
93.59125	1.1
95.08650	1.4
95.72908	1.1
100.14094	1.2
114.79115	1.2
118.06555	2.1
137.40182	1.2
144.08076	3.3
174.06111	1.5
231.15414	1.3
256.17001	4.7
257.17249	3.8
274.18085	6.0
275.18393	4.9
299.14590	1.1
324.40369	1.3
354.14615	2.2
376.16843	1.5
377.17703	5.8
378.18610	1.2
391.19278	10.6
392.20197	5.6
405.20831	5.0
406.21429	1.8
407.22214	8.6
419.18600	5.3
420.19028	2.9
422.17688	1.9
428.18246	1.5
431.18491	1.5
433.20197	3.7
434.21039	3.4
435.22150	7.8
445.20688	1.5
447.17749	1.6
449.19910	1.6
451.21335	6.0
459.18109	4.9
461.19632	2.1
463.25311	2.0
465.22922	2.0
473.19931	1.8
474.20343	4.3
478.20102	1.5
479.20844	31.4
489.22534	4.3
491.24188	1.9
493.22339	7.4
494.22928	1.7
501.19141	3.9
502.20145	2.9
505.18552	7.9
506.19257	2.3
515.20782	5.9
516.21448	4.0
517.22430	72.8
518.22351	2.0
521.25031	3.2
547.23602	2.5
549.24994	64.3
550.25452	1.8
564.23279	1.3
565.24261	2.4
569.43848	1.9
575.22852	7.2
580.26685	1.9
593.24182	14.0
607.25250	8.0
608.26184	12.8
635.25049	100.0
636.25244	5.0
666.42255	3.5
667.27307	66.5
667.41565	18.0
668.27753	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.4
55.01862	1.6
55.05319	1.3
55.05517	13.7
57.03439	1.9
57.07072	5.0
67.05508	24.1
69.03433	9.9
69.07075	27.6
71.04982	4.6
71.08635	1.9
71.52606	1.9
73.02927	2.2
76.88802	1.4
79.05492	9.6
81.03426	14.9
81.07063	79.2
83.04964	1.5
83.08627	15.5
85.02909	47.3
85.06543	4.8
89.03973	1.5
90.79804	1.3
91.05463	6.6
93.07042	14.9
95.04958	3.2
95.08611	100.0
96.08889	1.5
97.02897	18.1
97.06523	2.6
97.10173	19.2
99.04457	28.0
99.08075	5.2
103.03948	65.3
105.07041	8.6
105.14333	1.4
107.04974	2.6
107.08613	16.2
109.02894	15.0
109.06470	1.7
109.10165	48.5
111.04439	1.9
111.08084	3.9
111.11721	9.4
113.09646	2.4
119.08594	8.8
121.06487	1.7
121.10154	11.5
121.76176	1.5
123.08079	2.5
123.11723	26.9
125.09630	3.1
125.13290	3.5
127.03924	70.6
129.07007	1.7
131.08543	2.7
133.10144	6.0
135.04410	2.0
135.11710	7.4
137.09633	2.5
137.13266	13.0
139.11188	8.7
143.10716	2.8
145.04958	29.0
145.10126	4.0
147.11703	6.7
149.09543	1.5
149.13286	9.0
151.11221	3.8
151.14825	31.2
153.12758	2.7
157.10129	2.8
157.12248	7.8
159.11673	3.9
161.13263	6.7
163.03905	5.4
163.06013	34.2
163.11191	3.0
163.14810	6.2
165.09097	1.8
165.12715	4.0
165.16389	5.8
169.12282	3.0
171.13771	2.1
173.13243	2.5
175.14839	4.6
177.12689	1.8
177.16380	4.9
179.14339	7.8
179.17957	2.0
183.13803	2.9
187.13261	3.6
189.16281	2.4
191.17937	3.6
193.15901	6.0
195.11559	1.8
197.15395	5.8
203.12692	1.5
205.07011	1.5
207.17471	5.0
211.16888	3.0
213.08484	1.4
213.18515	3.2
215.17932	4.0
219.17422	2.7
223.16994	2.7
225.18512	1.7
233.19048	5.3
237.18486	4.8
251.20126	6.6
261.25815	1.5
271.08118	3.8
271.24274	7.0
277.25378	2.8
289.09204	5.8
289.25250	23.4
295.06174	1.4
295.26273	4.0
295.95511	1.7
304.71957	1.5
307.10333	10.5
307.26306	68.8
308.26297	1.5
325.27335	11.6
343.28409	5.5
349.10916	1.5
381.13242	2.0
397.27219	3.0
415.28391	4.9
433.29172	3.1
441.15460	2.6
493.31717	3.1
649.27917	1.5
667.27887	3.0
667.41821	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	667.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.6
55.83530	0.4
67.05495	1.8
69.07072	0.6
69.15298	1.9
69.15721	2.0
70.62266	0.4
70.65626	0.3
73.38732	0.3
79.05505	1.8
81.07043	1.5
83.08649	0.4
91.05476	1.7
93.07020	2.8
95.08601	1.2
99.35515	0.3
104.85359	0.4
105.07030	1.3
107.08620	0.9
108.66891	0.3
110.91696	0.4
117.07076	0.6
119.08599	1.3
121.10155	0.9
131.08487	0.4
133.10176	0.8
133.54796	0.3
135.11670	0.5
145.10091	0.5
147.11688	0.7
195.71793	0.3
206.67552	0.3
208.30321	0.4
299.19974	0.6
317.20889	3.8
363.17740	0.6
373.23563	3.7
545.94934	0.5
597.37531	0.5
667.45447	100.0
668.45972	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2919
Annotation	Agrimol G
Peak:m/z	Relative Intensity
54.09909	0.7
55.05512	0.9
57.07059	0.7
67.05517	1.5
69.07069	1.1
79.05486	1.0
81.07056	1.4
88.06917	0.6
91.05482	0.8
93.07106	0.9
95.08611	1.4
98.20786	2.4
100.09647	0.6
105.07019	1.0
107.22589	0.7
109.10168	1.4
112.04573	0.7
116.41257	0.7
121.10136	0.8
127.62058	0.7
178.44717	0.7
203.06870	0.7
225.13910	1.4
229.10437	0.8
237.13783	1.4
247.12369	1.0
265.13342	1.0
363.16620	0.6
376.17117	0.9
393.20782	2.5
406.17935	1.1
407.22510	2.4
411.15695	0.9
419.18704	1.1
420.19754	2.7
421.20334	4.4
431.23193	0.9
433.20584	1.7
434.16711	1.1
434.21616	0.9
435.21857	6.2
436.22583	4.0
447.17358	1.2
447.22479	1.3
448.18631	1.2
449.23621	6.4
450.24435	1.6
460.22336	0.8
461.19324	3.9
462.20187	1.8
463.20825	11.9
465.23029	0.9
473.23273	1.6
475.21548	2.2
476.21951	2.4
479.24426	1.1
491.24500	2.7
493.18311	1.0
495.23627	7.9
507.23819	2.9
508.24680	0.9
519.23926	0.8
521.25287	2.5
521.35211	0.8
522.26447	3.9
523.27155	24.1
524.27344	1.0
532.24738	1.8
533.25452	0.8
535.23566	2.2
549.24982	4.4
550.25720	5.4
551.26312	1.0
559.24164	0.9
564.27350	2.2
567.26135	2.4
577.24402	4.6
578.25006	0.9
581.28131	1.7
582.28308	26.2
591.25903	2.2
605.24030	3.1
609.27002	16.2
610.28442	1.0
637.26550	18.7
651.28461	2.9
668.46454	1.1
669.29224	100.0
669.47034	3.1
670.29755	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	669.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20171	0.8
70.65103	2.9
79.05477	0.9
79.64123	0.9
87.66415	0.9
93.07030	1.6
95.08633	1.1
104.26947	1.0
105.07009	1.8
156.07938	1.0
158.09671	1.1
193.86501	1.4
197.10686	1.2
209.10826	1.3
210.11490	1.3
211.12343	1.4
220.10075	1.7
221.10745	1.7
222.11491	1.2
223.12233	2.9
225.13954	2.0
226.14764	1.4
235.12308	1.7
237.10237	1.1
237.13870	2.4
249.10274	2.3
265.10165	1.2
325.12390	1.0
338.12683	1.2
338.16757	1.1
353.11417	1.0
364.10767	1.0
368.14392	0.9
374.16873	1.1
377.17822	0.9
401.91470	0.9
413.17624	2.5
414.18402	1.8
415.19333	1.8
427.15485	2.4
429.21124	1.4
441.17072	4.3
442.18008	1.8
443.18039	1.0
445.16254	1.1
449.23959	1.2
455.14801	2.6
456.19891	1.4
457.20764	5.0
460.19089	1.4
467.18304	1.2
469.16507	4.2
470.17319	2.5
471.21851	2.5
472.22903	2.4
475.20883	2.9
483.18463	1.1
484.18823	2.1
485.19604	3.2
487.21170	1.0
489.23047	2.7
491.20499	1.8
497.16086	2.7
499.21490	16.8
500.21924	4.9
501.19046	1.9
502.20029	1.3
503.20508	2.0
511.21289	1.8
512.18140	1.9
513.19543	2.4
517.22571	10.8
527.20856	27.0
528.21594	4.8
531.24323	1.2
533.21777	1.6
543.24011	13.1
545.21619	5.1
549.24768	1.1
555.20490	2.3
559.23291	5.5
577.24432	1.5
587.22906	100.0
588.22974	2.6
605.23969	1.7
619.25543	72.5
620.25299	1.9
637.26569	23.5
669.28528	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22601	0.5
50.87774	0.5
55.05510	0.7
57.03425	1.6
57.07080	2.6
61.02931	4.1
61.60788	0.5
65.21850	0.4
67.05509	5.2
67.24536	0.4
69.03436	2.6
69.07085	0.6
70.70318	1.5
71.08625	1.6
71.26675	0.4
73.02905	3.4
77.43605	0.5
80.58846	0.5
81.03413	0.9
81.07056	2.2
83.08623	1.2
85.02905	3.9
85.10191	1.0
91.03944	3.2
91.05500	0.7
93.07036	0.7
95.08616	2.1
97.02895	3.1
97.10146	0.5
99.04463	0.6
101.02396	1.0
106.33733	0.5
107.08674	0.5
109.02909	0.7
109.10164	6.2
119.08620	0.6
127.03944	0.8
145.04955	0.5
155.10703	0.5
173.11716	1.7
185.04216	0.7
195.09941	0.6
221.30688	0.6
229.14453	1.5
243.08498	2.0
290.22601	0.5
313.27466	1.0
413.17810	8.8
497.31036	4.5
567.06799	0.6
637.25702	1.2
669.41821	100.0
670.42133	3.2
697.19220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49397	1.0
53.78476	0.9
53.91423	1.0
57.35481	1.0
67.05504	3.3
69.76976	3.2
69.77376	1.5
79.05508	1.3
81.07055	3.3
91.05498	1.8
93.07051	2.7
95.08613	3.0
98.20836	1.5
102.48409	1.2
105.07040	1.1
107.08604	1.9
107.56000	1.0
121.10139	2.1
176.70581	0.9
226.80624	1.1
299.48514	1.0
317.08133	1.1
373.23459	2.7
375.25418	1.9
385.81073	1.2
472.48135	1.0
556.18677	1.1
637.26996	1.6
669.30859	5.7
669.47076	100.0
670.47144	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	671.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.05502	7.9
57.03434	3.3
67.05507	19.0
68.99776	2.2
69.07069	8.4
69.92596	3.9
69.93002	9.0
75.39210	2.4
79.05493	13.8
80.37404	2.0
81.03417	11.4
81.07069	16.8
83.08591	3.3
91.05486	11.7
93.07043	10.6
95.04969	9.7
95.08604	9.4
96.89308	2.3
97.10214	3.0
105.07024	7.9
107.04935	3.3
107.08601	9.0
109.10143	8.2
111.04430	3.0
117.07012	4.4
119.08593	6.0
121.06560	2.3
121.10146	5.6
125.09740	2.9
129.07025	4.2
131.08568	4.2
133.10120	3.3
139.86147	1.9
143.08557	2.5
145.06541	2.9
145.10149	2.8
147.04378	3.0
147.11659	3.5
149.09616	2.2
157.10106	3.4
161.13342	2.4
163.11168	2.9
181.10190	2.7
188.41223	2.0
205.12135	2.5
209.10732	2.6
222.11594	2.8
223.12286	3.9
225.13826	6.6
225.64255	2.4
235.12230	6.8
236.13057	8.6
236.16588	5.0
237.13835	6.8
237.16382	3.8
238.14581	6.8
249.10226	5.5
249.13875	7.4
251.15521	5.0
253.13321	5.8
261.13916	4.1
263.11700	3.7
264.12662	7.2
265.13266	3.3
273.14893	3.9
277.13498	2.8
279.14972	2.8
294.20905	2.3
301.14453	6.8
302.10205	2.4
303.15973	2.3
304.14764	2.4
316.12988	2.8
334.14120	13.9
335.14395	9.0
335.25708	3.2
337.27380	3.8
338.27759	3.6
351.17432	4.3
352.18381	4.0
366.19592	4.8
375.18362	3.0
376.18240	4.1
378.20010	2.8
392.17435	4.1
393.19055	2.4
394.19186	5.6
402.15601	3.4
408.20767	6.7
418.19739	4.3
419.20007	3.2
422.18640	5.2
433.17032	3.3
434.18680	5.4
435.19672	2.9
436.20251	5.0
448.16345	3.4
452.18945	3.0
458.18005	2.8
459.16376	2.6
462.17862	3.6
465.20172	5.5
466.17661	2.7
470.18735	2.8
473.19229	3.5
474.18164	3.6
480.19330	3.5
481.20105	4.7
482.20593	4.0
488.19763	4.9
489.17490	2.3
492.19376	4.5
502.17545	3.8
503.19547	4.1
504.19742	3.6
506.17075	3.0
508.18658	3.6
510.19873	3.7
516.18842	9.0
518.20166	6.5
520.18903	3.3
522.20428	3.2
523.21155	2.6
530.38696	3.0
534.20398	3.5
535.20306	4.7
538.23810	2.9
544.18573	4.1
545.21051	3.9
546.20374	13.2
547.19720	4.5
550.22894	3.5
551.20953	4.9
561.19885	3.3
562.20227	5.3
563.21588	3.3
564.19147	5.1
566.19727	4.4
572.17993	10.8
577.24463	8.4
578.22882	18.7
579.20447	5.0
580.20892	5.7
582.26031	3.1
589.20422	10.1
590.19055	29.8
593.23798	5.4
594.22009	5.0
595.24707	4.4
596.23456	4.9
603.21893	7.9
604.20325	3.4
607.21844	29.3
610.24811	5.1
611.25000	7.4
621.23456	80.0
622.21881	100.0
623.22009	3.2
626.24518	4.2
627.28241	3.4
635.25598	2.9
635.39258	6.8
639.24493	68.2
653.26025	55.6
653.38715	3.1
654.24463	62.2
671.26831	45.6
671.41016	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	671.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17958	0.4
60.39249	0.4
67.05494	0.6
69.07066	0.7
69.76294	0.7
69.76700	1.6
71.08620	0.5
81.03421	0.9
81.07066	1.3
89.06007	0.9
91.05479	1.0
95.08627	1.2
98.21520	0.6
101.75665	0.5
105.07036	0.5
107.08610	0.7
109.29472	0.4
123.27660	0.4
124.34801	0.4
133.08620	0.5
174.09309	0.5
209.10771	0.5
219.09337	0.5
221.10693	0.6
223.12314	1.3
225.13933	0.7
233.92426	0.4
234.11540	0.5
235.12299	1.0
236.13158	0.8
237.13766	2.0
238.14598	2.3
239.15486	0.5
248.13274	0.5
249.10390	0.5
249.13982	1.0
250.14804	0.6
251.11922	0.4
251.15416	2.0
252.16479	0.6
261.13934	0.7
263.11874	0.5
265.13354	0.6
271.11807	0.4
274.13577	0.5
277.13297	0.5
281.16745	0.5
364.17599	0.6
365.17679	1.1
366.19345	0.6
376.17990	0.5
378.19147	0.8
379.19604	2.0
380.20465	1.0
381.20883	1.8
389.18121	0.6
391.19672	0.5
392.21133	0.6
393.21091	1.2
394.21902	0.9
395.22421	1.2
407.18729	1.4
408.19370	0.7
409.20343	1.4
416.16431	0.5
417.16849	0.8
418.18140	0.6
420.20102	0.5
421.20236	1.5
422.21347	0.7
423.21829	1.8
424.19751	0.5
425.19901	1.4
426.20685	0.6
431.18936	0.9
433.20569	0.8
435.22040	1.6
436.22711	1.3
437.23914	3.4
439.21545	1.6
447.22351	0.8
448.19864	0.6
449.19867	0.8
450.20352	0.7
451.21487	1.5
452.21906	0.6
453.23212	2.6
454.23779	2.6
460.18912	0.7
463.21500	1.4
464.21793	0.6
465.23764	2.0
467.20721	1.0
470.23227	0.7
473.19907	0.6
475.21356	1.7
476.19116	0.5
477.19159	0.7
480.21368	0.7
481.23294	2.0
482.23172	7.1
491.20554	1.6
492.22000	1.0
495.19946	1.1
498.22729	1.5
501.18674	0.5
502.19934	0.6
503.20767	0.6
509.22043	1.6
510.22797	1.0
519.20264	0.9
523.23206	1.5
533.22052	0.6
534.22620	0.5
535.23846	0.5
537.21564	1.1
541.24097	1.4
547.19635	0.6
551.22791	1.7
553.21008	0.7
554.21802	1.1
563.22479	0.6
569.23950	10.6
573.49152	0.5
577.24213	0.7
579.22510	1.4
595.25635	0.9
597.23505	9.8
612.25958	1.3
621.23224	2.6
627.28424	0.8
639.25214	1.6
641.22205	0.5
653.26556	1.8
671.27167	100.0
672.27081	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	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65838	0.7
53.03955	1.0
67.05515	1.5
71.77277	0.8
79.05495	2.4
81.03423	1.3
81.07071	2.1
85.74318	0.8
90.86375	0.7
91.05453	1.1
93.07055	2.2
95.04974	2.0
95.08622	1.3
103.05452	0.8
104.67518	0.8
105.07043	1.1
107.08638	0.9
109.10169	1.3
117.07074	0.9
119.08610	0.9
120.08140	1.0
121.10094	0.9
122.52469	0.8
134.71440	1.0
135.11688	0.9
144.08165	1.5
156.18387	0.8
167.10483	0.7
209.10834	1.6
215.12009	0.9
223.12265	1.0
237.10303	1.6
243.11395	3.0
248.13129	1.0
249.10135	0.9
249.14023	1.2
251.12007	0.9
263.11893	1.8
265.13144	0.9
275.11829	1.7
277.13153	0.8
288.11850	0.9
289.13220	2.4
290.13724	1.4
291.11343	0.8
301.14642	0.9
303.15067	1.1
307.14233	0.8
316.14606	1.6
321.16153	2.3
325.15955	1.1
332.14075	2.0
333.14859	3.7
336.15244	0.8
337.15271	1.2
340.14938	1.1
367.19284	1.2
379.19562	1.3
381.17175	1.2
391.19659	1.7
393.16653	1.6
393.21255	1.5
395.18839	2.5
397.17639	1.9
403.15146	1.3
407.18744	2.6
409.20480	1.8
417.17343	2.8
419.18793	2.0
421.20377	3.2
422.21320	1.1
423.17743	1.3
423.22482	1.1
431.18970	2.6
435.18213	3.2
436.18704	1.7
437.19580	6.4
438.20532	3.1
439.21497	2.0
445.20444	2.8
446.21292	1.2
448.18979	1.0
449.19379	6.5
450.20712	2.7
451.21475	5.8
453.23138	6.0
454.23819	1.9
459.22452	1.6
460.22742	1.4
461.19577	2.2
463.21518	3.8
464.21997	2.9
465.23541	1.4
468.17981	2.8
469.26559	1.8
475.21286	7.3
477.18271	1.2
477.23895	1.5
478.19894	1.6
479.20987	2.9
481.22034	1.8
483.23871	1.1
491.20764	6.6
492.21805	2.5
493.22247	3.1
495.24030	1.9
496.24442	1.0
497.25824	4.4
501.22995	1.3
502.23627	2.6
503.21024	2.3
507.20688	2.8
507.23691	2.7
508.25323	2.0
509.22070	3.9
510.23221	1.3
511.27225	1.7
512.27734	4.2
519.20367	1.7
521.22675	1.9
522.22467	14.8
523.23425	8.1
524.24152	9.2
525.25116	6.7
529.22552	1.6
530.23224	1.2
533.25629	1.5
535.23090	1.2
537.21301	1.6
538.26056	1.7
539.26599	1.7
540.27386	7.9
545.26013	2.8
551.22565	13.9
552.23242	3.9
561.25421	1.5
563.26648	1.4
567.26099	2.4
568.26440	1.3
577.24988	1.3
579.23663	2.0
589.24365	5.4
592.22668	1.6
593.27197	1.2
595.25189	4.3
597.23822	2.5
599.28497	1.1
607.25171	1.2
609.27313	3.3
611.24976	49.3
612.25867	2.8
621.25909	1.3
627.28107	23.6
639.24463	59.3
640.25189	2.2
653.29248	1.6
671.30756	100.0
672.31250	3.3
685.88153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
59.48851	0.7
67.05522	2.1
69.07086	0.7
69.29423	5.4
73.84991	0.6
74.69769	0.5
77.27177	0.6
78.09741	0.6
79.05492	1.1
81.03392	0.6
81.07062	1.8
83.08626	0.7
91.05488	1.2
91.19327	0.6
91.29401	0.6
93.07056	1.9
95.04978	1.3
95.08623	1.2
96.08813	0.6
105.07050	1.3
107.08594	0.9
126.14751	0.6
131.08691	1.0
132.08157	1.0
145.10139	0.8
171.09192	0.7
210.11499	0.7
221.10840	0.8
223.12492	0.9
225.13852	0.8
235.12437	1.0
237.10315	1.3
243.11401	2.8
244.06139	0.7
247.12508	1.4
261.10297	1.2
263.11801	1.1
264.31543	0.6
275.11871	1.0
277.13467	0.8
289.09515	0.7
289.13187	1.3
290.13959	0.8
291.15125	0.7
300.14896	0.8
304.14310	0.8
307.14532	0.9
314.12653	0.8
321.15945	1.1
333.14917	1.5
338.16122	0.8
367.19321	1.1
377.18045	1.3
379.15500	1.3
379.19650	0.9
381.17099	1.2
389.17593	0.8
391.19528	1.2
393.16895	1.1
393.21454	0.9
395.18774	2.2
403.19656	1.2
405.16779	1.1
405.21347	1.0
406.18436	1.1
407.18597	1.0
409.20383	2.0
410.20923	1.5
413.17834	0.8
417.17343	1.1
419.18716	1.0
421.20538	2.5
423.17874	1.3
425.23672	0.9
431.18652	0.8
433.20432	1.2
435.17853	1.8
435.22900	1.0
436.18405	1.4
437.19153	4.5
438.20752	2.4
439.21570	1.4
445.20517	1.5
446.21527	1.0
447.22507	1.5
448.18283	0.9
449.19867	2.7
450.20572	2.3
451.21292	3.6
453.22955	7.4
454.23752	0.7
459.22501	0.9
460.22910	1.3
463.21576	1.5
465.23154	1.5
468.17657	1.6
469.26038	1.3
474.23898	1.6
475.21252	4.5
476.22321	1.5
477.23856	1.4
478.19394	0.9
479.21078	1.9
481.22995	1.2
482.22885	1.0
483.23663	0.8
491.20862	3.1
492.21204	2.0
493.22531	2.0
497.25934	2.9
501.23401	1.2
502.24182	1.3
503.20395	1.4
505.22784	1.0
507.23456	2.8
508.24237	1.8
509.22284	2.3
511.27872	1.1
512.27850	3.3
521.22589	1.4
522.22247	7.0
523.23230	5.5
524.24152	6.5
525.25153	5.3
529.22235	1.0
530.23297	1.2
533.25745	1.3
535.23322	1.4
536.24280	1.5
538.25824	2.8
539.26404	1.5
540.27429	6.8
545.25671	3.3
551.22705	10.3
552.23615	2.1
561.24988	2.1
563.26843	1.1
567.26416	2.0
568.27087	1.9
579.25330	1.3
589.24292	2.9
593.27325	1.5
595.26001	2.4
597.23608	1.4
607.25592	0.9
609.26758	3.0
611.24933	31.4
612.25934	1.9
621.26068	1.4
627.28076	13.5
639.24445	37.1
640.25739	2.2
653.29175	1.8
671.30750	100.0
672.30634	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	671.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71522	0.8
53.10926	0.8
56.96576	0.7
66.82104	0.8
67.05516	1.3
69.07056	0.8
71.53812	1.1
78.45038	0.8
79.05510	1.2
81.07059	1.6
81.07801	0.9
83.08624	1.3
93.07040	0.9
97.90617	0.8
105.07035	1.2
111.03851	0.8
121.10146	1.2
123.11732	0.9
128.03072	1.0
136.06099	1.0
145.45912	0.8
200.68874	0.9
253.89256	0.8
367.19296	1.4
381.17065	1.3
398.15112	0.8
402.59293	0.9
408.19635	1.0
409.20486	1.1
410.20914	1.1
420.19467	1.0
421.20062	1.0
425.23767	1.3
438.20688	3.1
439.21292	1.9
446.79214	1.1
447.22360	1.1
451.21640	1.0
453.22885	6.0
459.21997	1.4
460.22595	1.3
465.22968	1.5
469.26132	1.9
474.24158	1.0
475.20944	1.0
476.22113	1.8
477.22849	1.3
479.20871	1.8
481.23288	1.1
483.24118	1.1
487.06613	1.0
493.23248	1.1
497.25589	3.4
502.23593	1.0
503.20886	1.4
507.24652	1.2
512.28052	3.4
521.21521	1.4
525.24988	1.6
533.25537	2.0
535.27374	1.4
536.24146	1.4
538.25787	2.2
540.27478	7.0
551.26501	2.5
561.24982	1.9
563.26825	2.3
579.26129	2.3
580.26343	1.3
589.24695	1.9
593.27087	1.3
607.25446	1.9
611.29010	1.7
639.28143	7.6
671.30756	100.0
672.30670	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	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
53.89039	0.3
55.05515	3.9
57.03440	3.5
57.07080	35.3
60.08669	0.3
61.02930	13.4
62.36911	0.4
67.05509	9.4
69.03434	2.6
69.07071	8.1
69.07423	0.7
71.08636	30.2
71.53132	0.4
73.02920	4.5
75.04484	1.6
79.05505	1.0
81.03422	1.4
81.07059	14.9
83.08231	0.2
83.08624	11.8
85.02911	17.5
85.06550	0.5
85.10186	18.7
85.95686	0.4
89.06026	1.1
90.79457	0.4
91.03960	14.3
91.04538	0.7
91.05526	0.4
93.07052	0.9
95.08612	25.5
97.02897	8.7
97.10176	6.4
99.04459	1.1
99.11751	1.4
103.03915	0.5
103.07611	0.8
109.02882	0.7
109.10164	12.4
109.18334	0.4
111.11734	1.4
115.03951	0.7
123.11714	5.5
125.13303	0.9
127.03934	5.7
135.08015	0.4
137.13245	2.2
145.04984	7.1
151.14830	0.9
163.06026	13.6
165.16434	0.6
184.07347	0.5
221.22647	1.1
239.23703	20.1
257.24805	3.7
298.27612	1.2
313.27377	100.0
314.27725	1.3
331.28433	50.5
332.28720	0.8
336.15872	0.5
494.53412	0.4
496.99994	0.4
640.24615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00862	1.2
54.26512	1.1
55.05515	3.8
56.05032	2.4
57.07080	11.5
67.05511	24.6
69.07082	2.3
70.06617	1.4
71.04990	1.3
71.07378	9.3
71.08638	7.1
71.52897	1.9
73.77266	0.9
79.05500	1.5
81.07066	8.5
83.04995	3.7
83.08626	4.5
85.10183	4.5
86.09712	54.9
88.90597	1.0
89.06010	1.5
91.05494	2.0
93.07063	2.9
95.08600	7.6
97.10206	1.6
107.08574	1.7
109.10168	17.1
117.09081	1.1
119.08611	2.6
133.08670	2.4
134.47382	1.2
145.19826	1.1
146.98187	40.5
147.11720	1.2
153.72534	1.1
158.56693	1.0
163.01569	1.7
173.11801	1.3
175.01595	2.0
181.02628	4.1
184.07358	2.3
202.80632	1.0
275.29059	1.1
283.11172	1.3
310.86322	1.1
312.82458	1.1
313.12076	2.9
357.10974	2.1
416.06781	1.1
437.96463	1.1
486.30322	1.2
489.35535	50.2
490.35791	1.4
543.19714	1.9
574.50079	1.4
599.25610	3.0
609.27545	1.4
613.34778	100.0
614.35431	3.1
629.29871	1.8
655.31769	8.1
672.42163	54.7
673.28296	1.3
673.41998	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	672.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31496	0.2
55.05499	0.5
56.05016	0.8
58.06614	0.4
60.07891	0.4
60.08168	6.6
65.46804	0.3
67.05498	1.0
69.07056	0.3
71.07380	3.2
71.54232	0.5
79.05485	1.1
81.07043	0.7
86.09709	29.5
91.05477	0.5
92.05804	0.3
93.07031	0.8
95.04996	0.3
95.08590	0.8
98.98466	2.8
104.10747	2.0
106.12333	0.3
107.08608	0.4
109.10146	0.3
119.08579	0.3
125.00011	18.7
133.10136	0.3
161.72479	0.3
163.51736	0.3
184.07347	100.0
185.07642	0.5
202.15933	0.3
238.18089	0.3
568.49890	0.3
578.25079	1.5
641.26471	0.5
672.27966	0.6
672.42224	8.2
673.28497	0.9
673.41565	0.3
698.41095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
57.03431	0.3
57.07073	3.8
67.05502	1.0
69.07072	1.0
69.34740	2.4
71.08638	3.8
73.06570	1.0
79.05513	0.5
81.07066	1.0
83.08619	0.6
85.10180	2.2
87.04471	1.2
89.06035	13.7
90.06355	0.6
91.05483	0.5
93.07055	0.7
94.97086	0.3
95.08633	0.4
97.10197	0.8
99.11754	0.6
99.84747	0.4
111.11767	0.4
117.09166	1.0
118.97293	0.4
119.08527	0.3
121.10134	0.4
133.08614	8.5
134.08942	0.7
148.71138	0.3
155.47701	0.3
161.11810	0.4
177.11247	3.6
197.22673	0.3
221.13879	0.7
241.25349	0.3
261.15793	0.3
285.27994	0.7
329.30646	0.9
334.19806	0.3
459.28165	0.5
497.19608	0.6
523.17633	2.9
541.18433	4.5
555.20636	0.6
556.20697	1.1
558.21533	0.4
595.19812	0.9
599.22644	1.3
641.24011	0.5
642.24414	2.2
643.25873	0.4
655.49756	0.7
656.50366	0.5
673.26355	100.0
674.26605	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	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08179	1.0
63.08987	1.0
67.05502	3.1
70.57148	1.4
70.57484	1.6
71.07382	1.2
79.05493	1.7
81.03424	1.7
81.07066	2.0
83.08632	1.0
86.09713	6.3
87.10054	1.0
91.05487	1.2
93.07066	2.4
95.08598	2.2
98.21432	1.3
105.07050	1.7
107.08626	1.4
109.10183	1.2
117.07069	0.8
117.08123	0.8
119.08629	1.6
121.10205	1.1
125.00018	3.7
129.07095	1.1
131.08592	1.0
145.10167	1.2
174.09268	1.0
184.07359	20.2
185.07721	3.5
221.10773	1.0
223.12373	1.8
224.13060	1.0
225.13948	2.6
235.12354	1.4
237.13843	1.5
238.14583	1.1
239.15538	1.4
251.15450	1.2
276.15173	1.5
302.12997	1.4
318.16086	1.5
340.18195	1.5
353.17706	1.5
365.17786	1.7
366.18991	1.9
367.19043	2.2
376.17758	0.9
377.17804	1.7
379.19281	2.8
380.20230	1.2
381.16760	2.0
381.20935	3.7
382.21976	1.5
391.19342	1.5
393.21237	1.7
394.18094	1.2
395.18710	3.5
397.20279	1.3
405.17120	3.3
407.18784	1.2
408.19467	2.1
409.20346	5.3
410.21188	3.9
411.21793	5.0
419.18930	1.4
420.19681	4.6
421.20444	2.7
422.21436	4.2
423.22150	5.5
424.22961	1.3
433.16315	1.1
437.19885	5.1
437.24359	2.1
438.24234	3.1
439.20679	1.3
439.25592	1.7
447.21970	1.2
448.18988	10.8
449.19400	2.8
452.22577	1.5
454.23865	5.7
462.20847	1.1
465.23380	2.7
466.23730	5.3
467.24521	3.8
469.22726	2.1
475.17465	6.9
476.18289	1.8
477.18964	1.7
480.21661	15.0
481.26306	3.0
482.23532	5.6
483.24081	8.1
484.24844	11.4
493.19095	3.6
493.23758	1.3
494.19781	1.7
498.26224	3.0
506.19730	1.8
507.20441	2.1
508.21497	1.3
509.25809	1.9
510.22687	2.7
511.23389	7.2
520.21222	2.7
521.21954	2.8
525.24805	3.2
526.25604	5.3
538.22205	2.8
539.22705	6.3
540.23242	1.3
548.20154	1.1
549.21027	2.3
552.23700	1.0
553.24597	6.6
566.21887	2.1
567.22449	1.9
570.24579	4.0
571.25500	8.2
580.23224	13.7
581.24139	2.9
585.26855	4.8
595.25397	1.3
598.24280	22.8
599.24945	6.3
613.26550	23.6
614.28015	1.1
623.25079	4.2
641.26080	51.5
642.26410	2.7
673.28729	100.0
673.40607	3.7
674.29236	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	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75733	0.8
60.08174	1.0
67.05512	1.2
69.29924	6.9
71.07373	1.2
75.30861	0.7
79.05479	1.1
80.92838	0.8
81.07059	1.3
82.76556	0.7
86.09711	10.9
87.10057	0.8
98.98457	0.9
108.04475	0.9
125.00002	6.8
134.66995	0.8
184.07353	36.3
185.07727	5.5
196.09924	1.6
197.10712	1.3
209.10799	0.9
210.11522	3.2
211.08643	1.9
211.12445	1.8
213.10249	1.4
223.08725	2.5
223.12389	0.8
224.09511	3.1
225.10287	3.0
225.13853	6.5
226.10913	1.6
227.08186	2.4
227.11737	2.0
235.08728	1.2
237.10246	3.9
238.11011	2.1
239.08162	2.2
239.11787	5.7
240.12621	2.4
241.09798	2.7
241.13435	3.2
250.34990	0.8
251.08191	1.2
251.11836	2.1
253.09789	2.6
253.13388	27.9
255.11125	1.0
263.08157	1.2
265.09998	0.9
265.13425	1.1
267.07755	1.2
269.09244	1.1
281.09232	3.2
283.10876	1.8
288.11407	1.1
301.12170	1.2
302.09338	1.4
302.12729	1.0
309.08636	1.5
313.11948	3.2
314.12857	1.9
316.10995	0.9
316.14465	1.1
317.11899	0.8
318.12396	0.9
328.10880	1.1
328.14600	1.3
329.15384	1.0
330.12347	1.2
330.15732	1.0
341.11206	1.0
342.12311	2.2
344.17563	1.4
354.12405	0.9
356.14099	1.6
359.12320	1.1
372.17130	2.7
373.14542	1.1
374.15024	5.5
384.13235	1.6
387.15518	1.4
388.16684	5.1
389.17310	6.2
394.14426	1.3
400.16638	7.7
404.14792	1.3
404.19830	19.8
407.10843	1.1
408.16403	1.7
409.16748	1.3
416.16238	2.3
419.14938	1.2
421.12790	1.9
422.13901	1.7
423.18823	1.4
426.14249	0.9
432.19376	5.3
433.16998	1.2
435.14267	2.3
436.15256	2.5
437.15988	3.4
449.15994	1.7
450.16809	1.5
451.17633	6.5
460.18643	3.6
465.23596	1.5
466.19800	2.3
467.21063	4.7
475.20987	2.5
477.15518	2.7
481.22202	3.1
489.19061	1.7
490.19333	1.0
491.21115	1.1
492.21402	37.5
493.18634	3.6
493.23117	2.0
494.19656	1.5
495.20111	1.7
503.20914	4.3
506.20218	1.4
507.20407	7.2
509.18350	1.2
511.19803	3.9
519.16632	1.4
521.22449	5.7
523.19891	1.7
525.21521	1.4
531.20001	3.3
535.20935	1.3
537.24786	1.2
539.23383	7.5
549.21014	10.3
553.24341	3.2
554.24756	1.0
563.22821	3.8
580.23541	1.1
581.24054	12.9
591.22150	2.4
595.26227	1.0
609.22742	1.0
613.26575	44.1
614.27026	1.0
623.25049	7.5
641.26093	100.0
642.26453	2.9
655.27502	3.4
673.28668	25.1
673.41132	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	674.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
55.05507	9.5
57.03438	16.2
57.07074	4.1
61.02911	2.9
61.30638	2.0
65.03922	2.9
67.05231	2.1
67.05512	21.5
69.03436	4.5
69.07071	4.8
69.52502	2.0
69.86216	2.0
70.06578	7.8
70.97944	2.2
79.05504	18.3
79.37167	2.2
81.03425	73.1
81.07066	21.1
83.04973	9.1
83.08619	22.4
85.02923	13.2
88.07623	6.9
91.05485	22.1
93.07046	11.6
95.04965	23.3
95.08605	8.3
97.02908	4.5
97.06501	2.7
97.10174	4.2
99.08141	2.5
102.09209	7.1
105.07056	20.5
107.04940	8.3
107.08592	7.9
109.06489	3.2
109.10134	3.1
111.04485	2.9
111.08094	6.8
118.49381	2.2
119.08585	14.5
121.06465	3.3
121.10137	4.0
123.08059	5.3
125.09604	3.4
129.06990	7.7
131.08595	10.2
133.06512	3.7
133.10121	7.9
137.48770	2.1
145.06499	4.0
147.08011	3.6
147.11671	8.3
149.02361	25.2
149.03471	3.7
149.09605	4.9
157.10143	10.9
165.12854	3.3
175.11234	11.3
184.07416	3.6
193.05011	14.5
193.12248	31.2
211.13333	17.8
228.23267	16.9
237.07639	3.2
238.69514	2.5
254.03560	2.5
267.15936	100.0
272.25864	3.3
273.14804	3.9
285.16830	16.8
341.06787	2.9
349.21719	2.5
367.22629	8.2
385.09381	4.5
385.23660	8.9
403.10153	6.7
429.11694	7.8
433.25903	8.2
441.26331	6.3
459.27435	52.8
469.14642	3.2
473.14618	4.6
477.28528	45.5
482.16193	3.0
497.18057	10.5
569.70819	2.5
642.26300	8.7
674.24890	3.3
674.35156	45.2
675.26709	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	674.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05031	0.6
58.06629	0.4
58.35213	0.1
59.07385	0.2
60.08164	5.6
67.05505	1.3
69.03434	0.2
69.07056	0.4
70.11228	0.5
70.11563	0.2
71.05022	0.1
71.07377	2.8
79.05487	0.5
81.03426	0.2
81.07067	0.9
81.14211	0.1
82.07407	0.2
83.08582	0.1
83.24410	0.1
86.09708	29.4
91.05474	0.5
93.07058	0.4
95.08604	0.8
98.98470	2.8
104.10735	1.8
105.07030	0.3
106.94641	0.1
107.08591	0.2
108.08949	0.1
109.10176	0.5
111.80324	0.1
119.08587	0.2
121.10239	0.2
125.00008	18.5
130.50404	0.1
131.08537	0.2
133.10139	0.3
143.01094	0.2
166.02786	0.2
184.07344	100.0
185.07692	0.3
412.21088	0.1
448.18942	0.1
449.19067	0.2
477.34595	0.2
481.22281	0.3
503.37177	0.2
581.23389	0.2
596.25677	0.2
599.23999	0.1
624.24622	0.3
642.26508	0.4
674.43896	6.9
675.44147	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	674.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.5
56.05028	0.7
58.06615	0.5
60.08163	5.9
67.05498	1.0
69.07066	0.4
69.18651	1.6
70.06573	0.2
71.07376	3.2
73.81400	0.2
74.09705	0.2
79.05493	0.6
81.03423	0.6
81.07051	0.8
83.08608	0.3
86.09705	30.0
91.05462	0.3
93.07061	0.5
93.07658	0.1
95.08591	0.7
96.08916	0.2
98.98464	2.6
104.10739	2.4
105.07057	0.3
109.10148	0.5
119.08579	0.3
121.27791	0.2
125.00004	19.0
133.10069	0.2
151.11163	0.2
175.40219	0.2
184.07339	100.0
185.07709	0.3
202.15929	0.5
205.09894	0.2
212.07584	0.2
412.21326	0.2
503.37323	0.7
528.06689	0.2
630.29779	0.6
674.27960	1.4
674.43933	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15425	0.3
70.57012	0.7
89.60800	0.2
208.84244	0.3
246.70682	0.3
429.15652	0.5
430.16647	0.3
439.14435	0.3
453.15900	0.7
454.16794	0.9
455.12564	0.5
457.14743	0.4
467.12640	0.5
467.17926	0.6
468.13797	2.0
469.14926	6.4
470.15311	1.4
471.16800	0.7
472.17404	0.7
479.17297	0.4
480.14090	0.3
481.14670	1.9
482.15909	9.9
483.16663	9.6
484.17593	1.5
485.18674	0.6
495.16602	2.3
496.17514	5.4
497.18286	37.6
498.18954	3.5
499.20090	0.5
500.17032	0.4
510.19577	2.0
511.19818	5.0
512.20593	1.7
515.19226	1.4
523.16980	0.8
524.17188	0.4
525.19116	0.3
527.16522	0.4
528.16345	1.7
529.17059	0.5
538.19995	1.0
539.20837	0.4
541.17499	0.8
542.18085	2.0
555.18781	2.6
556.19641	3.9
557.20233	3.6
569.20160	0.6
570.21344	0.3
571.22095	0.5
583.21765	0.6
611.21423	0.3
616.21539	1.4
617.22839	0.8
625.22992	0.4
629.22510	0.8
630.23309	0.4
643.13934	0.5
643.24078	6.6
644.24817	7.0
645.23596	0.9
657.25647	6.3
660.24255	0.9
666.29919	0.3
675.26666	100.0
676.26978	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	675.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81929	1.1
53.03953	2.6
53.73947	1.0
55.01865	2.3
55.05312	1.0
55.05520	10.7
57.03444	7.0
57.07065	2.7
60.92443	1.1
61.02931	17.7
67.05510	24.6
69.03419	5.1
69.07069	9.2
70.72837	1.0
71.04991	2.7
73.02928	8.5
75.04484	1.6
79.05501	37.3
79.05968	1.8
81.03427	7.3
81.06604	1.6
81.07066	31.3
83.05012	2.5
83.08625	6.0
85.02914	20.7
85.06544	1.8
87.04446	1.3
91.03964	15.1
91.05485	34.9
93.07050	51.0
93.84795	1.1
94.32441	1.1
95.04957	5.2
95.08611	21.0
97.02913	11.3
97.06519	4.9
97.10149	3.4
97.59992	1.1
99.08074	2.4
103.03955	1.7
105.07041	35.3
107.04929	1.4
107.08606	26.6
109.02827	1.3
109.06525	2.4
109.10173	9.3
111.08092	1.6
113.09653	1.6
115.03921	1.5
117.07008	10.0
117.56817	1.1
119.08591	30.5
121.10147	22.4
123.08043	2.4
123.11686	2.7
124.07611	2.3
125.09618	2.2
127.03906	5.2
129.05496	1.5
129.07013	9.1
131.08562	17.1
133.06485	1.5
133.10144	28.2
135.08022	1.8
135.11697	20.4
137.09631	2.2
137.13208	1.8
137.50288	1.0
142.07753	1.3
143.08595	9.8
145.04990	6.1
145.10120	17.2
147.08011	2.1
147.11690	25.5
149.09601	2.6
149.13275	13.4
151.11084	1.8
155.08542	3.1
157.10167	8.9
159.08096	1.5
159.11720	16.5
161.09648	2.8
161.13271	23.2
163.03770	1.2
163.06079	6.0
163.11160	1.9
163.14798	4.2
165.09189	1.2
167.08473	1.6
169.10115	3.4
171.08032	2.0
171.11702	10.4
173.09756	1.2
173.13303	9.9
175.11140	2.4
175.14835	12.5
177.12770	2.8
177.16406	1.4
182.70558	1.1
183.11725	2.6
184.07326	4.4
185.13303	8.8
187.14725	2.2
189.12709	2.7
191.14307	1.4
195.11653	1.5
197.13232	1.4
199.09407	1.1
199.14832	4.8
200.86964	1.1
201.16429	1.3
203.14410	1.6
207.13683	1.4
209.09634	1.4
209.13425	1.2
213.16417	1.1
215.17972	1.7
217.15848	1.4
217.19528	2.4
231.21021	6.4
241.19528	18.1
259.20593	51.1
260.21014	1.6
261.22256	1.5
277.21622	8.0
283.20303	1.4
287.19873	1.4
301.21597	2.1
333.24146	10.4
337.16681	1.2
343.22501	1.4
349.23633	3.6
351.25327	100.0
361.23502	1.4
363.25235	3.6
367.22720	4.0
375.25403	5.1
385.23712	1.7
387.25262	2.7
405.26627	1.5
417.26529	2.3
429.26190	3.4
441.26459	11.4
459.27396	8.2
477.28296	6.0
478.28857	1.8
495.29721	12.8
497.17944	1.6
512.16870	1.3
525.17419	2.3
633.24805	2.5
642.18091	1.3
657.34711	1.5
675.22754	6.1
693.24609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.01869	1.6
55.05506	3.5
57.03438	4.2
61.02929	6.7
61.15554	0.8
67.05515	6.4
69.03419	2.8
69.07088	1.6
69.44147	5.5
70.06589	2.3
71.01366	0.9
71.04970	1.5
73.02918	2.5
76.52489	0.7
79.05504	5.8
81.03420	70.0
81.07050	6.9
83.04981	3.1
83.08154	1.3
83.08620	18.9
85.02900	9.1
91.03963	5.7
91.05478	7.5
93.07034	5.0
95.04971	21.5
95.08593	1.8
97.02901	6.0
97.06531	1.3
97.10180	1.5
99.04421	1.2
105.07047	5.9
107.04975	5.9
107.08591	3.1
109.02887	1.7
109.06506	1.9
109.10163	0.9
111.04446	2.3
111.08090	7.4
117.07035	1.1
119.05013	1.1
119.08592	7.9
121.06514	2.2
121.10151	3.5
123.04449	2.3
125.09708	1.2
125.13543	0.7
127.03906	3.4
129.07027	5.1
131.08595	6.4
133.06477	1.9
133.10121	4.2
135.04454	0.8
135.08044	0.9
137.09647	1.0
142.07782	1.7
145.04965	4.5
145.10152	1.4
147.04408	1.4
147.08044	1.7
147.11665	5.7
149.09624	3.2
157.10133	9.5
163.03914	1.1
163.06047	4.4
163.11121	2.2
165.12746	1.6
172.35985	0.8
173.09415	1.0
175.11194	10.7
193.12251	57.5
207.13905	1.0
211.13290	5.1
219.42281	0.8
235.13304	3.2
251.36011	0.8
259.13306	2.4
267.15918	37.0
273.14642	1.5
285.16974	100.0
286.17252	1.9
301.14438	1.9
309.16959	16.8
327.17999	2.8
351.18112	2.4
356.10486	0.8
363.17944	5.2
375.17889	3.6
393.19049	3.3
411.20242	4.3
429.21252	12.8
429.26611	1.5
461.23828	1.0
462.90076	0.8
468.91156	0.9
591.26575	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
55.01874	1.2
55.05520	3.8
57.03434	2.3
61.02928	6.3
65.03922	0.7
67.05503	6.7
69.03423	2.3
69.07059	1.5
69.34918	4.7
70.06589	1.5
71.04980	1.5
73.02922	3.0
79.05501	6.1
81.03420	61.2
81.07059	6.5
83.04993	3.3
83.08155	1.1
83.08626	15.9
85.02910	8.5
86.09680	0.7
86.79791	0.5
86.91087	0.6
91.03966	6.0
91.05483	8.4
93.07031	4.6
95.04973	20.0
95.08591	2.4
97.02882	5.6
97.06575	0.7
97.10178	1.3
98.26261	0.5
99.04446	0.8
103.03900	0.6
105.07041	5.8
107.04954	5.9
107.08607	2.3
109.02900	1.3
109.06520	2.2
109.10169	1.1
111.04423	2.0
111.08077	7.2
119.04935	0.9
119.08582	7.3
121.06477	1.5
121.10136	4.0
123.04437	1.7
123.08064	0.9
127.03916	2.2
129.07014	6.0
131.08568	5.4
133.06493	2.5
133.10124	3.7
135.08128	0.7
135.11697	0.9
137.09616	0.9
142.07838	1.3
145.04935	3.5
145.10088	0.9
147.04404	1.3
147.08032	2.7
147.11693	5.2
149.09636	3.8
157.10155	8.0
163.03885	0.6
163.06010	5.9
163.11143	1.0
165.12744	2.0
173.09572	0.7
175.11192	10.9
189.12758	0.9
193.12251	51.4
194.12537	0.8
207.13797	1.0
211.13300	6.1
211.58806	0.6
212.13550	0.7
225.35384	0.6
233.38344	0.7
235.13329	3.2
252.88585	0.6
259.13248	1.6
267.15906	26.7
268.16245	0.6
273.14871	0.9
285.16968	100.0
286.17432	1.3
299.18716	1.4
301.14355	1.6
309.16971	15.9
327.18073	5.7
351.18085	3.6
363.17990	6.0
373.13937	1.3
375.18155	2.6
393.18991	3.0
402.97156	0.7
411.20270	2.8
429.21182	2.3
644.99200	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.3
56.05004	0.6
58.06598	0.6
60.08165	6.0
67.05484	0.9
69.03398	0.3
69.07030	0.6
69.45683	0.2
70.03644	0.6
70.04034	0.5
70.06572	0.4
71.07047	0.3
71.07375	2.8
73.88286	0.2
79.05474	0.7
81.03394	0.8
81.07055	0.6
85.02880	0.3
86.09706	31.5
91.05469	1.0
93.07023	0.6
95.04927	0.5
95.08584	0.6
97.06557	0.3
98.20798	0.4
98.98459	2.9
104.10731	2.7
105.06991	0.7
107.08600	0.5
119.08582	0.4
121.10182	0.4
125.00006	21.0
127.03902	0.2
150.13669	0.4
159.11685	0.3
163.03886	0.4
172.99623	0.2
177.05498	0.9
179.98042	0.2
184.07343	100.0
185.07690	0.6
267.09161	0.4
267.15967	0.4
283.15256	0.3
296.43637	0.3
355.64560	0.3
370.08188	0.3
379.21744	0.4
397.22287	0.3
461.29062	0.6
479.29718	0.4
676.34637	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70558	2.1
53.03943	3.5
53.62568	2.7
55.01872	3.6
55.05505	8.5
57.03442	13.1
61.02933	4.5
65.03938	3.8
65.55704	2.5
65.95129	2.3
67.05183	3.3
67.05511	46.4
68.25372	2.8
69.03429	5.0
69.07076	12.6
69.31675	20.2
71.04993	3.3
79.05496	37.2
81.03420	35.7
81.07059	60.8
83.04985	13.9
83.08614	20.1
84.87146	2.4
85.02906	19.1
86.09679	3.2
91.03966	3.1
91.05487	27.2
93.07053	40.4
95.04966	21.0
95.08609	14.9
97.02946	4.1
97.06544	12.0
97.10168	2.4
99.08145	2.3
105.07036	15.5
107.04959	3.0
107.08591	22.6
109.02865	2.2
109.06528	5.3
109.10124	5.4
111.08093	9.7
117.07054	6.7
119.08585	16.0
121.10122	17.9
123.11698	2.3
124.22608	2.6
129.07016	8.2
131.08575	12.6
133.10136	11.7
135.11702	6.3
147.11702	8.2
149.13225	19.3
157.10077	5.6
159.11746	8.2
165.12703	3.7
175.11243	9.2
177.12839	3.4
184.07364	5.9
193.12274	21.2
195.13866	6.5
211.13290	30.2
267.15924	20.1
269.17493	78.4
285.16946	27.4
368.96954	2.5
435.28186	2.9
461.29047	42.8
479.30099	100.0
480.30423	3.5
496.16800	7.7
497.17819	4.9
498.18396	8.0
556.19019	8.7
644.24341	6.7
661.24835	4.7
676.26855	90.7
677.26721	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	676.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	9.0
55.01861	10.4
55.05509	33.9
55.19978	2.8
57.03438	14.0
57.07065	12.0
59.05979	2.6
63.36130	2.5
65.03930	5.3
67.05505	90.2
69.03420	6.6
69.07068	37.1
70.00217	2.6
70.11243	10.7
70.96941	2.4
71.04978	8.7
71.08623	4.4
73.14486	2.7
74.09724	4.5
79.05492	72.1
81.03418	16.3
81.06593	4.5
81.07059	91.9
83.04979	14.8
83.08618	17.6
85.06539	7.4
86.09663	2.6
86.16179	2.5
91.05487	100.0
93.06496	5.1
93.07053	79.0
94.57375	2.8
95.04970	14.0
95.08612	55.1
97.06515	6.3
97.10166	10.0
98.98486	3.9
103.05460	5.3
105.04485	3.3
105.07037	96.1
107.04977	8.7
107.08611	53.2
107.09322	5.5
109.06528	9.3
109.09476	4.3
109.10160	52.2
109.43488	2.7
111.08088	6.3
117.07021	27.2
118.82355	3.2
119.04971	3.2
119.07806	4.8
119.08586	61.4
121.06493	7.9
121.10149	26.2
123.08088	6.9
123.11688	8.6
125.09605	4.7
128.06190	4.0
129.07011	19.2
130.07854	2.8
131.08582	31.1
133.06491	4.2
133.10135	89.7
135.08040	6.8
135.11696	21.0
136.06190	87.2
137.09596	4.1
142.07793	5.2
143.08543	17.2
145.10121	28.8
147.08078	5.0
147.11684	31.0
149.09613	6.1
149.13229	9.7
151.11189	28.8
155.08505	5.1
157.10098	13.6
159.11713	21.0
160.35081	2.6
161.09622	8.8
161.13295	16.2
163.11180	4.9
169.10088	6.0
169.12222	5.7
171.11696	18.8
173.13298	9.9
175.11143	6.9
175.14850	8.7
183.11703	7.2
184.07295	13.0
185.13246	10.6
187.14772	4.3
189.16342	3.1
193.12251	4.4
195.11716	4.5
197.13275	5.4
199.14835	6.1
207.11652	3.3
211.14818	3.5
213.16339	4.2
215.12746	6.7
227.17947	3.8
241.19522	18.9
245.19054	3.1
253.14359	58.7
257.18927	5.5
259.20599	41.8
263.20093	4.9
267.15930	6.8
273.18469	10.0
275.20096	4.7
289.17834	3.1
291.19485	12.6
315.23260	8.0
333.24222	43.3
333.27786	4.9
335.25803	6.9
347.22104	3.4
363.21487	3.7
365.23215	21.9
481.18796	3.1
485.59161	3.0
504.37622	15.8
511.33936	7.4
513.35883	3.5
529.35187	16.7
531.37842	4.1
609.45013	28.0
623.43115	24.6
641.43585	5.1
676.45575	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	676.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.3
55.00077	3.8
55.01843	7.7
55.05514	42.4
56.50867	4.0
57.03440	30.4
57.07068	5.5
65.03936	8.9
67.05505	100.0
69.03417	12.0
69.07071	38.3
71.04977	8.5
71.08614	7.5
71.53666	7.6
79.05495	86.0
81.03418	20.0
81.07053	94.9
83.04969	13.9
83.08624	24.2
85.06545	5.8
86.09683	6.5
91.05487	68.2
93.07043	79.1
95.04961	28.5
95.08601	62.0
97.06528	20.4
97.10161	20.9
99.08114	5.3
99.24348	4.6
105.07039	60.7
107.04968	30.3
107.08598	50.7
109.06539	25.2
109.10165	29.6
111.08063	10.9
113.91724	5.2
117.07026	24.9
119.08589	36.2
121.02869	13.7
121.06509	26.1
121.10136	33.4
123.08083	18.9
125.05997	7.0
125.09631	13.3
129.06972	9.8
131.08594	29.4
133.06488	4.5
133.10161	28.3
135.08078	23.7
135.11650	21.4
137.09639	5.3
143.08606	6.5
145.06454	6.6
145.10112	23.2
147.08047	8.5
147.11670	15.2
149.09624	7.4
149.13304	10.3
151.07535	7.4
151.11203	10.2
157.10139	12.8
159.08064	37.3
159.11665	16.7
159.91454	4.2
161.09608	7.6
161.13275	9.5
163.07521	10.6
163.11198	7.3
171.11710	5.1
173.09657	8.3
173.13214	10.1
175.11217	6.0
177.09090	5.4
179.14293	23.4
184.07347	25.8
185.13272	5.4
187.14857	5.2
189.11220	5.9
193.12251	8.0
199.11320	6.8
213.14548	4.6
219.13759	6.4
227.12788	7.3
232.74965	5.2
233.15358	23.0
241.14496	7.6
253.14224	6.3
259.20694	5.6
261.18384	9.5
267.16153	5.3
271.16898	20.8
277.21725	15.4
289.17981	54.7
307.19052	15.7
333.23935	8.6
335.25787	78.7
351.25180	10.2
358.44766	4.5
363.21576	17.5
381.22650	12.1
406.80975	4.5
609.44904	11.0
623.42841	24.7
641.43738	33.4
676.26233	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	676.4794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	7.4
55.01873	8.3
55.05513	41.5
57.03432	14.9
57.07072	13.2
60.08165	5.3
64.57249	3.0
65.03943	5.9
67.05508	87.7
69.03433	8.1
69.07067	31.8
69.29591	27.8
69.85331	3.5
71.04989	7.3
71.08607	5.9
79.05492	61.4
81.03424	23.7
81.06587	5.9
81.07059	85.4
83.04994	12.4
83.08633	26.4
85.02932	5.6
85.06522	8.3
86.09715	28.6
88.87738	3.1
91.05486	90.8
93.07046	60.7
95.04973	15.9
95.08607	37.7
97.06535	10.6
97.10161	13.3
98.20723	6.3
98.98468	18.5
103.05479	4.5
104.10738	3.8
105.07033	80.9
106.07422	4.9
107.04949	7.9
107.08604	43.7
109.06522	10.5
109.10152	44.7
109.69117	3.4
111.08086	5.0
117.07043	13.0
119.08583	47.5
121.06476	4.8
121.10143	24.2
123.11681	5.4
125.00021	20.9
125.09603	3.8
129.07033	11.7
131.08580	26.3
133.06516	4.3
133.10132	72.7
135.08073	7.2
135.11674	16.0
136.06183	43.5
143.08519	10.8
145.10161	27.5
147.08028	6.3
147.11694	29.8
149.09686	7.3
149.13298	4.6
151.11160	18.3
155.08632	3.9
157.10109	14.2
159.11696	13.4
161.09621	7.3
161.13275	15.3
167.08672	4.2
169.10197	5.7
169.12224	3.8
171.11685	10.7
173.11887	4.6
173.13242	7.7
175.11172	5.9
175.14793	4.2
177.12830	3.9
179.10445	3.8
184.07359	100.0
185.13254	7.4
187.14896	4.3
192.35034	3.5
193.12268	7.6
199.14784	3.9
213.19014	3.3
215.12660	4.5
221.36995	3.6
229.14377	14.2
231.21045	4.8
241.19551	12.0
253.14342	46.5
257.18863	5.2
259.20566	31.6
267.15985	7.2
268.16354	3.8
273.18512	14.7
275.20215	4.8
289.45840	3.2
291.19571	11.2
296.34973	3.1
311.25760	4.5
312.26218	5.6
315.23312	5.1
325.27353	12.6
333.24185	28.7
335.25873	5.6
349.23846	4.9
353.27963	4.0
365.23062	13.8
479.37204	12.0
503.37506	4.5
504.37747	52.3
511.33893	4.5
529.34943	6.2
594.14429	4.7
623.42908	29.4
641.44360	8.1
658.45740	3.9
676.46100	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	676.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
55.01861	2.1
55.05271	0.9
55.05516	11.2
55.28342	0.5
57.03429	2.2
57.07061	1.7
58.06593	0.7
60.08163	6.0
65.03944	0.9
67.05509	15.6
69.03437	2.7
69.07072	11.8
69.25644	0.8
69.26044	4.9
71.04996	1.5
71.07386	3.3
71.08602	1.0
72.08145	0.6
74.09723	1.0
79.05496	16.5
81.03424	4.9
81.07060	14.4
83.04971	1.9
83.08623	5.4
85.06548	1.4
86.09710	31.2
87.10069	0.7
91.05484	16.1
93.06484	0.9
93.07049	14.4
95.04971	3.4
95.08617	8.7
97.02889	1.8
97.06533	2.2
97.10180	4.9
98.98470	4.9
104.10743	2.6
105.07040	17.7
107.04930	2.1
107.08607	8.8
109.06503	2.0
109.10165	4.6
111.08035	1.4
117.07018	5.8
119.08585	12.5
121.06503	1.5
121.10142	5.7
123.08044	0.9
123.11663	0.9
125.00014	20.3
125.09624	4.2
127.92876	0.5
128.06262	1.1
129.06985	2.8
131.08571	8.3
133.06517	1.1
133.10136	10.2
135.08083	1.0
135.11705	3.5
136.05180	1.1
136.06189	15.0
137.09622	1.0
141.03450	0.6
141.06953	0.9
142.07768	0.8
143.08612	2.8
145.10144	5.5
147.08057	1.6
147.11697	7.1
149.09599	1.1
149.13289	2.9
155.08626	1.3
157.10146	3.9
159.11687	4.7
161.09628	0.7
161.13255	3.8
163.11235	1.3
169.10150	1.1
171.11650	3.2
173.13226	3.0
175.11185	1.3
175.14804	1.9
177.12724	0.6
181.10085	0.6
183.11649	1.2
184.07350	100.0
185.07693	1.6
185.13295	2.4
186.07835	0.9
187.14798	0.9
189.11232	2.5
193.12183	0.6
197.13300	0.7
199.14793	0.9
201.16354	0.9
213.16396	1.0
217.19588	0.6
223.13281	5.8
227.12811	2.2
231.21097	1.1
239.17987	1.3
241.19588	3.8
241.53053	0.5
249.14871	1.3
257.18948	0.7
259.18042	0.8
259.20590	10.2
267.15872	0.8
273.18600	2.8
291.19565	26.4
315.12146	0.6
315.23178	1.9
333.24252	11.8
365.23260	8.6
379.30170	1.0
503.37158	0.9
504.37732	5.0
525.35754	1.7
543.36774	2.0
623.43109	8.6
641.44397	0.9
658.45837	1.0
676.45593	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.9
55.01864	2.0
55.05513	14.7
57.03416	4.1
57.07066	1.9
60.08147	6.2
66.92111	1.6
67.05508	22.4
69.03419	3.0
69.07073	16.2
71.04971	3.0
71.07355	3.4
73.08629	1.6
74.09700	2.7
79.05494	19.1
81.03408	4.4
81.06593	2.1
81.07056	23.9
83.04988	2.9
83.08629	6.5
85.92527	1.5
86.09707	29.7
91.04986	1.9
91.05490	23.2
93.07053	17.6
95.01364	1.6
95.04953	5.1
95.08606	11.5
97.02890	1.9
97.06518	5.3
97.10159	8.5
98.98454	4.7
99.04440	1.6
104.10709	1.9
105.07038	24.8
107.04969	3.2
107.08608	11.4
109.06549	1.8
109.10172	6.6
117.07043	7.9
119.08576	17.3
121.06511	2.9
121.10158	7.1
123.08042	2.6
123.11702	1.8
125.00012	17.6
125.09608	4.2
129.06989	4.1
131.08574	12.1
133.10143	13.4
135.08049	3.3
135.11690	4.1
143.08531	2.7
145.10141	9.6
147.08034	1.8
147.11682	6.7
149.09637	2.2
149.13261	2.3
157.10167	5.0
159.11671	5.3
161.09596	1.7
161.13268	4.9
163.11168	1.7
169.10141	1.6
171.11746	3.0
171.84380	1.6
173.13269	3.0
175.11279	1.5
175.14796	1.6
179.14313	1.4
184.07349	100.0
185.13254	3.2
189.11209	2.9
195.13834	1.5
205.12120	1.4
213.16342	1.6
219.17468	2.6
222.42044	1.5
223.13239	3.8
225.70184	1.9
227.12665	2.6
231.20903	1.7
241.19472	5.1
249.15102	1.6
257.19052	2.6
259.20621	10.7
267.15952	1.9
269.17474	1.9
273.18533	2.6
275.20044	7.6
276.91730	1.4
278.01199	1.4
291.19553	27.7
333.24246	11.7
349.23706	6.0
365.23343	7.2
451.63977	1.7
504.38055	9.5
525.35114	2.5
529.35138	3.9
543.37061	10.1
605.41364	1.7
623.43201	10.4
641.43335	1.8
676.45837	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	677.2458
Annotation	Granatumin F
Peak:m/z	Relative Intensity
54.34825	1.2
55.05220	1.1
59.43357	1.3
67.05512	2.2
70.79477	2.9
79.05507	2.1
81.03420	2.1
81.07085	2.6
82.14644	1.3
83.08580	1.2
86.09707	2.6
89.03906	2.2
91.05484	1.9
91.67379	1.3
93.07029	2.1
95.08598	2.2
97.06566	1.8
117.03398	3.7
135.04340	2.0
145.02843	8.1
147.04422	1.4
149.05907	1.9
163.03906	10.6
177.05464	12.3
184.07397	5.5
208.85455	1.2
211.13589	1.2
262.90253	1.3
350.19156	2.1
399.14780	1.4
399.93320	1.2
400.15350	1.6
412.15118	1.6
412.20642	1.3
413.16574	1.8
424.15793	2.2
425.15967	2.7
426.16943	1.5
427.18185	2.3
428.14984	4.6
429.15445	2.0
430.16956	2.8
437.16254	1.9
439.17905	2.8
440.13666	1.3
440.19244	1.7
441.14819	1.8
441.20071	2.3
442.16440	5.0
443.17224	3.9
444.18262	3.1
445.18536	2.7
452.14752	2.7
453.15341	3.1
454.16394	2.6
455.12640	1.7
456.18536	2.5
457.18906	9.5
458.20187	2.5
465.15378	3.1
467.17725	1.9
468.18042	2.1
470.15982	5.2
471.20728	11.2
480.17816	3.6
481.18716	3.6
482.16055	5.3
483.12250	7.3
484.13275	16.4
485.18546	2.5
494.15924	2.2
495.20016	6.1
497.18777	18.9
498.14450	7.2
499.20291	2.6
502.18576	4.4
505.18561	1.8
506.15491	1.8
507.16605	4.3
508.17303	1.7
509.18311	3.1
511.16403	5.3
512.17474	4.3
513.17737	37.0
514.17480	2.1
514.23248	1.6
516.20343	2.1
521.18488	6.7
522.18805	4.1
523.16608	20.8
525.18018	17.2
526.18774	4.9
527.19373	4.8
530.21881	10.3
536.17151	2.7
537.17944	2.1
538.17871	2.7
539.19189	4.9
540.19354	1.6
541.20984	1.7
549.17999	1.8
550.18286	2.2
551.19348	19.2
553.18176	1.6
554.19312	2.6
555.18768	30.9
556.19470	3.4
557.19324	1.5
565.20618	1.9
567.18848	4.8
568.19354	4.5
572.19147	8.6
583.21881	6.8
585.19818	3.9
586.20306	3.1
595.18359	12.2
599.21307	7.3
601.23419	7.5
603.20282	1.5
609.20032	3.0
613.19025	2.3
617.22516	35.2
627.20923	56.2
634.23077	2.1
635.23413	3.1
645.22028	61.1
646.22211	1.5
659.23346	7.9
659.49854	1.5
663.22382	1.4
677.24420	100.0
678.24994	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	677.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34780	1.8
53.03947	2.9
57.75297	1.6
65.03928	2.4
67.05507	4.0
68.05046	2.2
69.07075	4.2
69.69337	5.5
79.05492	10.4
80.05029	3.4
81.03429	3.8
81.05770	2.3
81.07076	4.3
82.06585	4.4
83.04979	2.0
85.02923	3.4
86.09712	5.7
91.05474	10.8
93.07040	23.1
94.06571	24.5
95.04990	3.9
95.07356	19.0
95.08639	5.4
96.08138	44.8
97.06559	6.4
98.20849	4.0
103.05476	4.2
105.07021	1.9
106.06579	5.0
107.08624	2.3
108.04462	10.1
108.08123	31.4
109.02877	2.6
109.08936	4.6
109.10168	2.4
110.09691	79.3
111.10029	1.7
119.08559	2.0
120.04478	14.0
120.08112	49.5
120.08952	3.5
121.06514	4.1
121.10139	2.3
122.06075	7.0
123.04436	2.8
123.06861	2.5
123.11710	2.2
124.07625	4.3
127.03944	2.9
134.06058	4.6
136.07587	21.3
138.09146	94.2
146.06020	3.5
148.07584	17.6
150.09019	2.1
152.07132	3.0
160.03973	2.5
160.07635	4.5
164.07095	7.5
166.08647	92.3
172.03944	3.0
174.09227	2.5
177.05594	2.0
184.07333	13.7
185.07738	2.1
197.10837	2.7
199.08736	5.6
204.06599	6.2
209.10748	2.5
211.08669	5.6
212.09441	3.5
213.06578	3.8
213.10242	4.7
215.11958	2.2
221.10844	2.6
223.08649	3.1
223.12358	3.0
224.09517	3.1
225.06671	6.3
225.10223	10.9
227.08069	2.8
227.11815	4.0
228.13881	6.1
229.09665	2.9
235.08789	7.6
236.09506	5.7
237.10245	11.6
238.11055	4.0
239.08220	6.0
239.11833	7.7
240.12590	3.0
241.09889	3.0
243.11269	2.6
243.15021	8.6
248.09396	3.1
249.10196	22.2
250.11099	6.3
251.08099	3.9
251.11797	35.7
252.12561	4.0
253.09685	8.9
253.13470	5.9
255.11313	5.3
255.14726	2.4
257.09241	2.2
261.10370	3.3
263.11771	10.6
264.12457	4.6
265.09775	6.6
265.13388	7.1
266.10571	2.3
267.11417	5.1
269.10043	1.9
269.12854	33.2
271.10870	5.8
271.14423	3.5
273.12482	7.8
273.15894	10.1
275.11795	3.2
277.09698	3.9
279.11523	9.5
281.09293	5.5
283.10837	5.9
285.12427	5.5
290.13138	2.0
293.13046	2.4
295.10880	4.4
296.11624	2.0
297.12421	14.5
298.13156	2.1
299.10535	2.6
299.14090	5.6
300.12061	2.8
300.15195	3.4
301.11951	2.4
302.13242	2.2
303.13452	2.4
309.09045	3.5
309.12390	7.9
310.13132	2.3
311.10388	2.8
311.13934	2.8
313.12933	2.4
314.13162	3.4
314.16620	9.5
315.14005	3.5
316.14526	6.6
318.12289	3.1
319.48236	2.0
323.10382	4.4
325.12012	5.6
326.12851	3.3
326.16498	2.3
327.09717	4.7
327.13754	3.5
328.14490	7.0
329.11789	3.7
329.15588	2.3
330.12439	6.2
330.16089	6.1
331.16977	2.9
332.13940	4.6
339.13712	2.4
340.14633	4.1
341.11801	3.1
341.15558	3.1
342.12384	4.9
342.15964	3.7
343.13208	4.1
344.13852	11.8
344.17627	2.8
345.11066	2.9
345.14935	6.7
346.11597	2.3
346.15656	5.1
354.16156	2.2
355.09198	6.8
355.13385	2.6
356.14047	6.4
357.14941	6.8
358.11792	3.4
358.15594	11.6
359.16394	7.6
360.13269	3.0
360.17365	3.1
361.14313	3.3
368.13928	4.4
370.15689	3.1
371.12683	4.6
372.17154	6.7
373.14444	7.6
374.14905	7.1
374.19000	4.5
382.15454	4.5
384.17130	10.9
386.14807	10.7
387.11725	5.7
387.16113	9.3
388.16644	10.5
399.16183	2.4
400.16534	17.3
401.14148	2.9
402.18826	8.9
403.15964	4.3
406.17477	4.0
415.15286	2.2
416.16055	40.7
417.16339	3.5
418.17719	13.4
421.16284	2.6
428.16315	19.9
430.17856	5.1
434.17133	56.9
434.23166	3.5
436.18393	5.4
438.14587	2.7
444.15631	6.3
446.10953	4.8
446.17151	100.0
447.17279	3.5
448.18573	5.9
452.18192	6.4
456.15524	8.0
462.16635	15.6
464.17844	9.9
474.16437	10.6
480.17850	8.2
494.19034	22.6
494.24744	2.1
506.19131	27.7
508.19650	2.2
512.20258	41.3
524.20239	15.8
553.25049	3.5
571.25629	4.8
581.23730	19.9
583.25281	5.6
591.23077	3.3
599.25031	82.4
601.26495	3.5
609.23334	8.1
615.27948	2.0
617.25970	18.3
627.24451	47.9
633.29492	3.4
641.26062	14.4
645.25513	90.8
659.27362	22.1
677.28107	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05519	12.6
57.03430	6.3
57.07069	3.4
61.02932	19.2
65.03935	1.8
66.46209	1.2
67.05509	71.1
67.57919	1.2
69.03434	3.2
69.07072	16.0
69.30359	3.7
69.30768	7.5
71.04984	3.0
71.08630	2.1
73.02931	7.5
79.05498	42.8
81.03434	2.2
81.07057	87.0
83.04993	2.1
83.08620	6.8
85.02910	20.6
85.06542	2.2
86.99208	1.2
91.03955	17.7
91.05488	25.7
93.07049	51.9
95.04956	1.6
95.08611	66.0
97.02901	8.2
97.06507	2.1
97.10188	4.3
100.83621	1.3
103.03924	1.6
105.07036	17.4
107.08591	38.5
109.10158	39.2
111.08092	2.1
113.09666	1.6
117.07028	9.8
119.08591	15.4
121.10151	36.8
123.11712	22.0
127.03915	7.3
128.06239	1.5
129.07071	1.9
131.08560	20.3
133.10161	15.2
135.11700	31.1
137.09654	3.6
137.13246	8.0
139.11185	1.9
145.04956	8.7
145.10118	19.5
147.11664	11.6
149.13269	20.0
151.11160	2.6
151.14821	3.4
153.12677	1.6
157.10101	1.9
159.11699	14.1
161.13261	11.6
163.06024	13.1
163.11157	1.5
163.14821	16.8
165.12749	2.5
167.73563	1.4
173.13275	14.1
175.14822	5.0
177.12730	2.2
177.16336	6.6
179.14348	3.0
187.14899	9.5
201.16400	4.4
205.15974	1.6
215.17909	1.6
233.22668	3.7
243.21072	41.4
261.22150	100.0
279.23145	6.1
279.60495	1.4
280.89099	1.5
294.06461	1.5
335.25769	37.5
353.26877	38.1
406.41922	1.4
493.66888	1.5
497.31210	8.9
647.54895	1.6
677.32324	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.05510	10.1
57.03426	5.1
57.07072	2.5
61.02933	25.1
65.03931	1.9
66.02296	1.1
67.05508	62.1
69.03421	3.9
69.07066	10.8
70.34737	2.6
70.35106	2.7
71.04980	3.2
73.02917	7.3
75.04471	1.1
79.05494	39.6
80.12498	1.0
81.03407	3.6
81.07058	73.3
83.04972	1.9
83.08611	6.7
85.02908	26.0
85.06535	1.7
91.03962	25.5
91.05486	20.7
93.07043	50.4
95.04944	3.9
95.08609	52.9
97.02885	13.6
97.06517	2.3
97.10160	3.2
99.04413	2.5
99.08105	2.4
105.07045	14.2
107.08594	31.9
109.06535	1.9
109.10157	28.5
111.08085	3.2
111.11731	1.4
113.09643	1.2
115.03973	1.6
117.07023	9.5
119.08584	16.8
121.10150	34.2
123.11704	17.1
125.09602	1.6
127.03915	7.9
129.06973	2.0
131.08565	15.8
133.10138	13.1
135.08107	1.2
135.11685	26.4
137.09674	1.7
137.13242	6.6
137.77539	1.1
139.11230	1.9
145.04945	13.6
145.10133	14.4
147.11711	14.7
149.13266	23.1
151.11182	2.4
151.14842	3.2
153.12804	1.6
159.11691	14.2
161.13237	10.9
163.06030	22.1
163.14839	16.6
165.12775	3.5
173.13252	15.1
175.14850	2.5
177.12805	2.7
177.16418	6.7
179.14391	2.2
187.14841	8.1
191.14340	1.4
201.16420	4.8
205.15924	2.9
219.17374	1.4
233.22681	3.8
243.21095	33.9
261.22144	100.0
262.22574	1.9
263.13705	1.2
263.23795	2.1
279.23181	3.3
317.24985	1.7
335.25815	15.2
353.26865	38.4
431.68222	1.3
448.27917	1.5
497.30923	3.8
504.09155	1.3
534.14813	1.4
587.86389	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.05511	14.4
57.03436	5.3
57.07079	4.9
61.02938	22.0
67.05508	75.0
69.03423	5.0
69.07072	11.8
69.82257	16.6
71.04990	2.9
73.02943	5.3
79.05502	43.4
81.07059	100.0
83.08627	8.1
85.02902	22.1
91.03964	16.7
91.05484	21.6
93.07040	61.4
95.04951	3.6
95.08617	72.3
97.02902	12.1
97.06531	4.6
97.10168	4.7
99.08101	3.1
105.07032	20.0
107.08594	41.0
109.10167	36.8
111.08132	4.4
117.07034	11.6
119.08603	16.5
121.10152	36.7
123.11718	19.2
127.03918	7.2
127.59951	3.2
131.08557	16.2
133.10126	21.7
135.11710	25.1
137.13257	8.2
145.04982	8.3
145.10133	19.5
147.11703	14.6
149.02402	3.5
149.13298	20.9
159.11700	10.6
161.13268	12.5
163.03937	3.1
163.06036	12.1
163.11292	4.1
163.14819	14.4
165.12775	4.9
173.13292	14.2
179.14371	5.4
184.07404	6.6
187.14836	7.1
193.04990	5.2
205.15959	4.3
243.21112	32.2
256.26352	5.4
261.22165	96.4
279.23239	4.8
317.25095	3.7
335.25827	35.5
353.26883	50.1
497.30954	9.3
584.59210	3.0
677.54327	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	678.3614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05034	0.7
57.03425	0.1
57.20340	0.1
58.06627	0.5
60.08163	6.0
65.03915	0.1
65.51546	0.1
65.98241	0.1
67.05497	0.4
69.03409	0.1
69.07055	0.2
70.06594	0.2
70.23394	0.3
71.07374	3.4
76.43785	0.1
79.05497	0.2
81.03426	0.2
81.07052	0.3
83.04975	0.2
83.08603	0.2
85.02905	0.3
86.09705	32.9
87.12073	0.1
91.05470	0.4
93.07044	0.2
95.04973	0.2
95.08595	0.2
95.22650	0.1
97.06555	0.1
98.98463	3.2
104.10742	2.5
105.07015	0.2
107.08622	0.1
109.10133	0.2
119.08576	0.2
121.10162	0.2
125.00004	22.1
127.03917	0.1
133.10158	0.1
138.09142	0.2
143.01065	0.3
152.05627	0.1
166.08652	0.2
184.07338	100.0
185.07729	0.6
193.12221	0.1
266.98410	0.1
267.16089	0.1
298.75333	0.1
317.20990	0.1
424.33783	0.1
447.16895	0.2
450.22455	0.2
468.23602	0.4
600.25543	0.1
602.51648	0.1
628.24530	0.2
646.25964	0.3
660.34955	0.3
678.36139	13.8
679.36206	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	11.2
55.01862	9.7
55.05512	41.7
57.03428	12.4
65.03922	3.8
65.91361	2.6
67.05508	100.0
67.47015	2.3
68.05801	3.0
69.03432	4.1
69.07072	38.1
69.37778	22.1
71.04975	7.0
76.49112	2.6
78.03080	2.5
79.05496	94.3
79.05971	5.0
81.03423	7.1
81.07062	96.7
83.04975	13.4
83.08638	19.5
85.06532	5.2
86.09710	18.6
91.05491	97.4
93.06489	6.1
93.07048	90.4
93.20784	2.5
95.04951	12.5
95.08615	65.0
97.06520	10.6
97.10164	10.1
99.08102	5.4
105.07040	90.2
107.04968	7.0
107.08605	58.9
109.06519	6.4
109.10149	22.5
111.08081	8.2
114.00591	3.4
117.07028	31.0
119.08584	70.8
121.06528	7.0
121.10150	31.8
123.08022	5.1
123.11716	9.1
125.00008	12.5
125.09633	3.6
128.06155	3.5
129.05443	3.1
129.06999	20.5
131.08577	46.5
133.10139	53.4
135.08058	4.9
135.11684	34.1
137.09599	4.7
141.06998	3.8
142.07764	3.4
143.08546	17.1
145.10133	41.0
147.08017	3.9
147.11703	34.8
149.09604	7.3
149.13257	19.5
151.11197	5.4
153.06987	3.1
155.08585	6.7
157.10104	21.5
159.11684	30.8
161.13284	19.2
163.11118	8.8
169.10152	10.5
171.11691	18.9
173.13274	21.8
175.14822	9.9
177.12764	3.1
181.10115	6.0
183.11659	10.7
184.07353	62.1
185.07686	5.7
185.13237	14.8
186.07796	5.8
187.14883	7.4
193.10092	3.3
195.11694	6.5
195.13805	3.3
197.13257	8.3
199.14842	11.4
201.16409	3.3
209.13242	5.2
211.14774	3.4
213.16452	5.7
231.21159	4.5
237.16367	3.5
241.19467	19.4
253.14391	6.3
255.15871	17.9
257.18854	6.3
259.20587	45.9
261.22095	4.5
267.15961	4.1
269.17432	21.7
275.20090	23.2
315.23267	4.6
333.24222	46.0
335.25781	3.9
349.23932	10.2
367.24802	7.9
403.30081	4.2
435.32397	9.7
453.34088	7.0
471.34262	4.2
489.35989	3.9
509.36572	4.8
513.35657	20.2
515.38092	5.1
527.37378	42.7
531.36694	5.8
607.43079	11.7
625.44891	16.2
678.47528	3.6
679.41986	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	678.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.7
55.01862	11.3
55.05279	3.8
55.05518	54.3
57.03438	9.1
57.07074	7.2
59.04994	5.1
59.92500	3.0
65.03928	5.3
67.05180	5.2
67.05510	84.4
69.03408	7.1
69.07070	32.3
69.15758	24.9
69.16182	10.4
69.88001	3.5
71.04974	7.0
77.80045	4.1
79.05492	80.3
81.03438	7.8
81.07060	77.3
83.05007	5.5
83.08612	33.4
91.05486	77.6
93.06496	4.2
93.07057	72.1
95.04978	6.0
95.08610	41.6
97.06530	5.3
97.09647	4.5
97.10182	53.8
103.59075	3.3
105.06399	6.4
105.07041	81.4
107.08603	58.5
109.06515	4.1
109.10167	30.3
111.08093	4.1
117.07040	33.7
119.07794	5.3
119.08594	54.6
121.10126	21.4
123.08052	6.1
123.11707	18.3
125.00036	3.8
125.09647	41.4
129.07007	21.5
131.08589	33.7
133.06487	3.7
133.10141	52.9
135.08049	6.9
135.11700	13.6
141.07014	5.1
142.07709	4.9
143.08577	26.8
145.10130	41.5
147.11708	34.4
149.09637	6.7
149.13261	9.7
151.11195	3.6
153.09134	4.0
155.08571	13.1
157.10117	25.9
159.11717	23.8
161.13271	15.9
167.08554	4.4
169.10146	12.2
171.11740	24.4
173.13318	14.7
175.14841	8.6
181.10194	6.5
181.12190	4.7
183.11702	14.8
184.07346	6.4
185.13269	16.5
187.13353	7.7
187.14801	8.5
189.11172	15.1
195.11739	7.5
197.13257	12.6
199.14807	13.9
207.11719	5.3
209.13306	7.4
211.14870	9.7
213.16347	6.2
223.14905	5.4
225.16446	5.4
227.12779	50.5
239.17950	5.4
241.19467	12.0
243.15907	8.4
253.19548	4.6
257.19006	8.6
259.20651	22.7
275.20114	13.8
284.95859	4.0
333.24100	15.9
349.23682	9.7
365.28397	16.1
381.31525	8.9
383.29337	7.2
421.31128	6.9
439.31778	5.2
503.33521	9.3
505.38602	12.8
513.35663	12.1
515.38837	7.9
533.39838	11.3
607.43494	59.4
625.34680	7.7
625.44623	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28164	1.5
53.03947	3.8
53.70211	1.3
55.01874	4.4
55.05516	22.3
57.03439	9.4
57.07076	4.3
65.03950	1.8
65.50600	1.4
66.24374	1.3
67.05511	50.8
69.03423	2.2
69.07068	18.9
69.15911	1.6
69.18070	16.1
71.04999	2.5
77.03899	2.3
79.05495	47.6
80.48471	1.4
81.03416	3.7
81.07059	54.7
83.04973	7.5
83.08636	10.8
84.25201	1.4
85.06554	3.8
86.09726	5.2
87.10040	1.7
91.05483	49.8
93.07050	49.3
95.04990	5.8
95.08606	32.0
97.06551	5.6
97.10197	5.2
99.08102	3.2
103.05469	1.9
105.07040	48.5
107.04956	4.1
107.08595	28.4
109.06545	4.4
109.10162	12.9
111.08108	3.9
113.60073	1.5
115.05494	2.2
117.07035	18.9
119.08587	41.6
121.06567	2.2
121.10151	15.1
123.08110	4.2
123.11710	2.9
125.00049	3.0
125.09644	3.1
128.06247	3.1
129.06975	11.6
130.07835	2.6
131.08568	20.8
133.10126	29.0
133.11079	2.1
135.08075	4.1
135.11697	17.1
137.09648	2.0
141.07025	4.3
142.07806	1.9
143.08566	13.6
145.10126	24.7
147.11691	20.8
147.12805	2.1
149.09639	5.3
149.13319	6.6
151.11134	1.8
154.07536	1.5
155.08466	7.3
157.10130	11.9
159.11713	15.9
161.13277	11.7
163.11197	4.3
163.14830	2.4
165.12778	1.9
169.10141	9.6
171.11673	11.0
173.13280	8.4
175.11263	2.2
175.14861	4.5
177.12759	1.7
181.02699	2.5
181.10188	3.4
183.11789	5.3
184.07341	13.4
185.07753	2.7
185.13293	9.5
187.14857	3.2
195.11746	2.4
197.13286	5.2
199.14911	3.6
201.16391	1.7
209.13351	4.3
211.14883	4.0
217.15927	1.7
223.14964	3.6
227.13020	2.4
237.16353	3.3
239.18040	3.2
241.19504	10.6
255.15858	7.8
257.19061	4.4
259.20575	22.8
261.22223	1.5
267.16101	2.1
269.17493	3.4
273.18610	3.2
275.20145	12.7
279.21222	1.6
285.22421	2.1
299.23825	1.7
315.23297	3.8
323.23651	2.1
333.24350	18.7
335.25919	2.3
347.23038	1.6
349.24042	4.5
367.25308	2.0
409.17484	14.0
410.17911	24.8
435.32584	2.1
453.34052	2.3
501.36127	1.8
513.35803	10.1
515.38422	2.6
527.37280	10.8
533.39923	3.5
567.40387	2.8
581.66998	1.7
607.43518	10.4
622.23822	11.7
625.44586	10.9
678.30188	100.0
679.30505	6.7
679.41144	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	678.494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.3
55.01870	7.6
55.05514	43.6
57.03438	14.7
57.07067	2.3
60.08158	5.4
60.25647	2.5
65.03938	4.8
67.05509	92.9
67.76121	2.8
69.03438	4.2
69.07072	33.6
69.18403	23.4
71.04990	5.5
71.07385	2.5
79.05499	83.4
81.03401	4.1
81.07061	100.0
83.04990	13.0
83.08619	25.8
85.06550	5.1
86.09717	22.7
91.05488	91.7
93.07046	98.3
95.04962	11.0
95.08614	64.4
97.06527	14.4
97.10168	11.4
105.07036	81.2
107.04976	6.0
107.08597	46.6
109.06517	8.0
109.10163	22.2
111.08054	5.7
115.05415	2.6
117.07021	36.1
119.08590	66.9
121.10151	30.1
123.08083	6.0
123.11697	9.6
123.80936	2.3
124.99998	17.1
125.09617	4.7
128.06236	4.5
129.07008	18.2
131.08574	42.2
133.10135	52.6
135.08067	6.4
135.11694	28.0
136.46049	2.7
137.09590	3.2
139.11142	2.6
141.06970	8.8
142.07793	5.0
143.08574	27.4
144.09343	4.6
145.10130	41.8
147.08098	3.5
147.11702	34.4
149.09621	9.0
149.13260	17.6
151.11136	3.7
155.08568	14.1
157.10129	19.9
158.95952	2.3
159.11687	32.3
161.09619	3.3
161.13260	19.9
163.11200	5.6
163.14827	2.9
165.12782	4.0
167.08551	4.9
169.10156	12.2
171.11734	21.7
173.13235	18.6
175.11259	2.3
175.14842	5.9
177.12840	4.8
181.10141	8.5
183.11705	13.5
184.07368	80.5
185.13309	15.2
186.07994	2.4
187.14873	5.7
189.12891	3.0
195.11713	7.3
195.13715	5.0
197.13266	9.2
199.14833	9.5
201.16431	2.4
209.13300	5.8
211.14912	3.9
213.16443	3.1
215.17924	2.6
215.45097	3.2
229.55830	2.7
235.14684	3.8
239.17973	4.9
241.19484	14.4
255.15903	16.5
257.19012	7.6
259.20584	37.1
267.15909	4.8
269.17532	11.0
273.18652	3.6
275.20071	18.8
299.20166	2.7
313.21738	3.8
315.23166	5.9
331.22604	3.0
333.24243	38.4
349.23883	9.0
367.25018	5.9
406.55161	2.6
423.32779	3.5
435.32413	5.0
453.33768	4.1
513.35864	21.8
515.37756	6.4
524.32745	2.4
527.37323	37.8
533.40137	4.0
607.43488	17.2
625.44580	24.7
678.46588	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	678.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.7
53.03946	9.8
55.01870	6.2
55.02452	1.7
55.05512	25.4
55.61509	1.5
57.03444	12.4
57.07083	3.7
60.08162	7.3
63.32778	1.7
65.03939	6.0
67.05508	86.1
69.03426	2.9
69.07072	54.0
71.04998	16.4
71.07360	4.6
71.08645	4.6
71.49544	1.6
73.02912	2.2
79.05496	80.0
81.03425	9.5
81.07058	85.3
83.04981	14.8
83.08624	12.8
85.02873	2.2
85.06528	4.1
86.09718	34.1
91.05486	57.2
93.07049	74.9
95.04973	18.7
95.08617	58.7
95.09076	1.0
96.24995	1.5
97.06537	74.8
97.10171	7.5
98.98457	2.6
99.08102	8.8
103.05508	3.0
105.04530	3.7
105.07039	43.4
107.04942	6.1
107.08599	43.6
109.06537	14.8
109.10163	21.8
111.08083	7.5
115.05421	2.3
115.07583	26.1
117.07023	22.5
119.08594	28.4
121.06499	4.4
121.10152	27.5
123.08098	5.2
123.11695	6.4
125.00011	22.6
125.09631	3.9
128.06197	1.7
129.06960	8.2
131.08577	27.7
133.06477	3.0
133.10132	27.3
135.08131	8.8
135.11693	12.8
137.09608	3.9
141.07111	2.0
142.07709	2.6
143.08574	10.0
145.06468	2.0
145.10135	17.3
147.08060	4.7
147.11728	12.1
149.09631	6.0
149.13249	13.7
151.11224	8.1
155.08551	2.8
157.10133	9.9
159.11702	15.3
161.09596	4.6
161.13284	8.3
163.11203	3.1
163.14793	2.6
169.10164	2.9
171.11696	7.8
173.13300	6.5
175.11192	2.3
175.14795	5.0
177.12770	6.0
179.14276	4.3
184.07352	100.0
185.13269	5.5
187.11217	1.8
187.14755	3.1
197.13280	4.2
199.14853	2.8
201.16354	2.2
207.13852	1.9
217.15933	4.3
221.15324	2.2
229.38426	1.8
239.18095	2.0
241.19612	2.6
243.21182	3.2
245.19124	2.5
253.14346	14.6
255.17604	2.2
257.18991	2.9
259.20557	7.0
261.22116	4.1
267.16046	2.3
269.17477	6.6
273.18503	18.1
275.20029	5.8
277.21616	4.2
291.19589	11.3
293.21127	6.4
297.16983	3.2
315.23248	2.9
317.24783	2.2
329.21182	2.0
333.24243	6.9
335.25833	43.0
347.22247	4.9
363.25241	4.2
365.23166	8.3
367.24796	6.1
383.24435	1.7
423.32214	1.9
439.49893	1.9
506.39334	2.9
529.38910	35.3
550.01813	1.9
557.38049	3.8
576.43829	2.2
611.46783	11.3
625.44305	13.9
643.45508	8.9
678.46613	7.8
698.50885	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	679.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.7
55.23518	2.4
63.66698	2.5
67.05515	16.9
69.07066	4.6
69.93449	3.5
69.93742	14.3
70.50294	2.6
79.05480	10.4
81.07059	18.4
83.04969	2.9
83.08603	4.1
86.09712	7.2
88.86515	3.1
91.05472	9.5
91.66662	3.0
93.07043	9.8
95.08614	7.1
98.20779	3.7
105.07036	6.2
107.08588	3.1
109.10188	3.7
113.91096	3.2
119.08599	3.8
121.10158	6.5
133.10130	8.1
144.63165	3.6
149.09462	3.0
180.07486	3.2
184.07411	14.5
273.18655	3.4
293.21191	5.0
462.17218	3.1
473.19690	5.5
517.22394	3.9
543.23767	5.2
560.23712	3.0
575.26288	21.5
603.25708	22.9
605.24463	4.5
620.26166	7.3
635.28375	100.0
643.45447	5.1
647.24878	5.7
679.27527	26.2
679.47943	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	679.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51426	2.5
53.03941	7.5
55.01863	3.4
55.05512	35.5
55.52681	2.0
57.03439	6.1
57.07074	6.0
59.04992	4.6
67.05500	18.0
69.03439	24.3
69.07073	67.3
70.06570	3.6
70.12199	5.7
70.12598	5.3
70.71652	2.1
71.01311	2.2
71.04986	9.5
71.08627	2.1
73.02892	3.6
79.05499	22.2
81.03429	21.4
81.06589	3.8
81.07058	60.8
83.04994	13.0
83.08607	10.5
85.02434	3.8
85.02906	48.5
86.09719	3.2
91.05501	16.0
93.06483	4.5
93.07050	77.4
95.04971	15.3
95.08613	53.1
97.02891	19.3
97.06541	20.2
97.10175	53.2
99.04453	39.6
100.07571	2.6
100.11255	12.3
103.03947	61.4
105.07037	26.7
107.04947	3.3
107.08602	45.3
109.02870	16.4
109.06528	12.8
109.10161	32.0
111.04413	5.1
111.08065	7.0
111.11729	22.9
111.33408	2.4
115.11195	2.5
117.07006	4.6
119.08591	26.6
121.06516	3.4
121.10152	85.8
123.04455	3.4
123.08060	7.1
123.11716	25.5
125.09617	5.8
127.02969	4.0
127.03923	75.7
131.08572	12.8
133.10133	26.3
135.08028	9.9
135.11707	29.3
137.09639	11.4
137.13283	2.8
139.11186	54.1
141.27444	2.1
143.08560	3.9
145.02885	2.8
145.04976	28.9
145.10120	25.2
147.08060	5.0
147.11688	8.8
149.09602	15.2
149.13261	9.3
151.11168	17.9
153.12753	12.3
155.10545	2.7
157.10120	10.1
157.12241	31.0
159.11716	17.1
161.09633	9.1
161.13228	6.4
163.03925	13.4
163.05992	17.4
163.11183	13.4
163.14848	5.4
165.09196	3.0
167.10699	15.6
171.11676	3.3
171.13824	4.0
173.13245	7.1
175.11218	9.4
175.14777	3.5
177.05493	3.1
177.12827	3.4
179.10645	6.2
181.12311	5.0
182.15427	7.5
184.07370	6.8
184.13304	3.1
185.13324	3.2
187.05980	3.2
187.14803	4.1
189.12830	2.3
199.14868	3.7
201.12679	2.9
203.12784	14.8
203.14407	3.2
207.13783	2.6
209.16624	3.2
210.14859	11.3
219.17262	3.0
221.15367	3.4
229.19485	3.5
235.06392	2.4
255.21080	5.6
265.19388	2.5
265.37500	2.8
271.07919	4.5
273.22144	18.7
275.20071	15.5
283.20575	4.7
289.09381	4.4
289.21533	4.1
291.23175	36.6
293.21133	54.5
301.21613	53.6
302.22223	2.9
307.22641	9.0
319.22668	100.0
320.22974	2.9
325.23834	14.1
337.23737	89.8
355.24805	8.8
418.39551	2.5
445.26080	2.7
463.26752	3.8
636.45605	3.1
679.25214	5.1
679.51221	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	679.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.5
55.01863	2.4
55.05515	38.8
57.03430	4.3
57.07076	4.2
61.02920	2.0
65.03925	2.3
67.05507	20.3
69.03432	22.7
69.07069	75.0
70.83282	3.7
71.05003	6.9
73.02907	3.1
73.23722	1.5
78.49299	1.6
79.05504	18.5
81.03428	21.1
81.07060	46.8
83.04987	18.6
83.08186	1.8
83.08631	7.6
85.02907	46.1
85.06535	1.9
86.09702	2.1
86.71207	1.6
87.41295	1.5
91.05469	10.4
93.07047	63.0
93.07644	3.1
95.04983	13.9
95.08612	54.9
97.02898	18.1
97.06532	17.0
97.10174	75.8
98.09716	1.5
99.04458	38.5
99.08072	3.8
100.11258	2.6
103.03944	66.8
105.07039	18.2
107.04961	3.1
107.08601	44.2
109.02882	17.7
109.06538	12.6
109.09463	3.4
109.10163	33.4
111.08067	2.5
111.11726	26.8
115.11208	5.8
117.07021	5.4
119.08598	19.9
121.06516	4.4
121.10150	63.7
123.08072	6.9
123.11726	16.5
125.00037	2.1
125.09653	5.5
127.03923	71.8
131.08592	7.8
133.10136	19.8
135.08026	10.7
135.11702	44.5
136.07576	2.2
137.09639	7.9
137.13190	2.1
139.11189	74.5
141.12761	2.2
142.07724	1.8
143.08604	3.9
143.10698	1.9
145.04967	23.9
145.10123	17.5
147.08057	3.4
147.11707	8.0
149.09636	9.9
149.13293	10.7
151.11203	10.5
153.12746	6.8
157.10156	5.6
157.12250	45.8
157.13536	2.4
159.11688	13.8
161.09634	6.6
161.13268	4.7
163.03908	2.3
163.06041	16.7
163.11177	15.6
163.14838	4.7
163.63115	1.6
165.12842	1.7
167.10654	5.0
169.12279	2.4
171.11729	5.5
173.13264	5.1
175.11180	4.9
175.14850	2.8
177.12788	4.7
179.10661	4.2
181.12186	3.7
183.17589	1.9
184.07391	7.8
185.11806	3.6
185.13332	2.5
187.06044	3.6
187.14891	2.0
189.12679	2.0
191.14317	2.5
193.12302	2.1
195.13821	3.6
199.13203	2.8
199.14854	2.3
201.16460	2.8
203.12770	15.4
203.14388	2.8
205.07007	2.0
209.15358	3.8
213.16376	1.9
219.17442	2.0
221.15344	2.0
225.14748	2.3
229.19508	2.4
235.16978	2.1
237.14857	4.6
247.17065	1.9
247.20520	3.2
255.21078	6.8
271.08197	3.5
273.22156	15.7
275.20062	11.3
283.20563	5.5
289.21631	2.8
291.23187	40.2
293.21115	77.3
301.21616	35.8
307.10345	4.1
307.22620	8.9
309.24057	2.3
319.22684	75.6
325.23688	17.0
337.23743	100.0
355.24753	9.7
357.69226	2.0
445.25769	3.2
463.26999	2.9
481.27701	2.1
625.32031	2.9
679.50946	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	679.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71186	1.4
53.03949	1.7
55.01868	3.0
55.05514	20.5
56.13115	1.1
57.03449	6.8
57.07086	10.7
59.05019	1.3
60.81901	1.1
61.02928	19.8
65.03934	2.6
66.69870	1.3
67.05508	80.5
69.03432	3.3
69.07075	29.7
70.33026	1.4
70.33379	3.7
71.05003	2.8
71.08636	6.0
72.83597	1.2
73.02914	5.9
75.04491	1.3
75.38811	1.2
79.05499	26.9
81.03439	1.9
81.07062	100.0
83.04993	1.6
83.08622	20.8
83.09111	1.4
85.02907	18.5
85.06538	3.6
85.10176	2.7
91.03963	16.9
91.05495	18.3
93.07051	31.7
95.04948	1.6
95.08614	79.4
97.02897	9.8
97.06535	7.1
97.10178	13.2
99.04431	1.4
99.08086	3.7
105.07047	14.5
107.08605	18.4
109.06516	2.3
109.10162	40.3
111.08089	3.6
111.11726	3.1
111.33030	1.2
113.09648	3.3
119.08589	15.4
121.10150	22.3
123.08105	2.0
123.11720	21.8
125.09602	1.9
127.03936	6.1
127.11189	1.7
133.10147	18.2
135.11705	13.0
137.09654	1.6
137.13234	8.9
141.12781	2.6
145.04977	7.9
147.11708	12.3
149.13278	12.1
151.11243	2.0
151.14833	5.7
155.14336	3.6
161.13248	14.8
163.06029	11.7
163.14839	13.6
165.16446	8.6
167.14299	1.4
175.14830	11.4
177.16412	2.9
179.17966	8.3
181.15900	1.4
189.16350	5.8
193.15857	2.6
203.18030	2.0
221.15503	1.3
245.22661	66.6
263.23724	89.9
265.25244	2.1
281.24814	2.1
337.27383	68.5
355.28320	9.9
457.91983	1.5
463.30872	1.6
499.32785	6.7
560.86816	1.3
679.27563	4.7
679.51666	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	680.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.1
55.79135	2.2
57.07082	48.9
67.05509	4.5
71.16763	3.7
81.07061	5.6
91.05481	6.3
95.08595	5.2
99.44820	1.8
105.07027	3.1
118.58096	2.1
135.05592	1.9
146.90501	2.6
147.11630	5.5
233.03699	2.9
251.04674	14.1
261.23813	2.2
300.08130	2.0
307.80789	1.9
327.07813	100.0
376.27496	2.1
383.14114	54.1
397.17328	2.2
439.20383	84.5
472.56708	2.1
495.26627	70.0
531.40186	2.4
551.32770	41.3
607.39124	92.1
608.38702	3.6
613.44672	2.1
663.45386	86.9
664.44885	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	680.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29675	2.5
53.03924	2.6
55.01867	6.2
55.05516	33.4
57.00689	2.4
57.03431	10.5
57.07069	5.5
60.12780	2.4
67.05505	100.0
69.07072	31.6
70.16644	9.7
71.04976	5.0
71.08639	6.1
79.05081	4.9
79.05501	59.4
81.07057	94.6
83.04970	8.2
83.08621	16.6
83.39679	2.4
85.06559	3.3
86.09692	4.5
91.05487	55.0
93.07046	69.5
95.04953	8.4
95.08610	51.3
97.06516	8.7
97.10169	9.4
99.08105	5.0
105.07038	38.4
107.04966	3.0
107.08589	38.8
109.06499	7.1
109.10159	39.3
111.08090	6.9
117.07037	15.2
117.07764	2.9
119.08596	31.8
121.10148	29.3
123.08040	5.2
123.11680	6.0
125.09644	6.1
129.06985	6.4
131.08568	21.5
133.10135	24.7
135.08011	3.3
135.11652	14.9
143.08571	9.4
145.10114	18.5
147.11681	18.7
149.09587	6.0
149.13263	13.0
155.08453	2.7
157.10132	6.8
159.11681	14.9
161.13275	8.3
163.11180	3.2
165.12755	2.8
169.10144	4.6
171.11693	6.3
173.11757	6.2
173.13225	7.8
175.14903	4.1
183.11647	4.1
184.07330	9.9
185.13269	4.1
187.14879	3.0
189.11246	3.2
195.13762	2.7
199.14842	5.4
201.16461	2.8
210.14857	5.4
227.12831	8.5
229.14369	19.4
243.21088	3.3
252.15962	4.9
257.19156	3.3
259.20609	9.9
261.22134	12.6
269.17407	22.5
275.20120	19.5
293.20959	4.7
333.24170	7.1
335.25775	70.0
349.23734	15.4
351.25473	3.5
367.24673	9.7
489.35718	20.9
515.37079	5.6
517.39551	3.7
527.37134	11.7
529.38879	32.1
582.43835	6.4
609.44910	18.5
627.46332	15.3
627.55414	2.9
680.41394	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	680.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68193	3.2
53.03951	5.4
55.01863	6.1
55.05517	20.7
57.03431	8.9
57.07076	7.6
58.24207	3.5
67.05185	5.1
67.05512	79.0
68.73650	3.6
69.07084	20.0
71.04982	5.1
71.08639	49.7
79.05069	5.3
79.05499	65.4
81.03403	11.0
81.06601	4.4
81.07065	87.2
83.04973	10.2
83.08624	19.8
91.05492	45.8
93.06478	6.2
93.07048	80.7
95.04957	12.5
95.08610	49.1
97.06515	10.6
97.10157	10.5
98.21533	8.0
99.08090	28.7
105.07035	36.7
107.04956	11.0
107.08602	44.2
108.05711	3.5
109.06493	7.1
109.10188	23.5
111.08067	3.7
113.09650	5.4
117.07007	11.7
119.08583	29.0
120.21559	3.1
121.06521	7.6
121.10150	39.2
123.08087	4.0
123.11681	5.8
125.09663	7.4
129.06937	4.0
131.08563	13.8
133.10152	20.2
135.11699	30.4
137.09602	4.0
143.08498	6.1
145.10089	11.4
147.11682	12.7
149.09569	4.5
149.13251	15.8
151.11198	24.1
159.11716	8.4
161.13239	17.2
163.11162	9.5
165.12798	3.9
173.13210	4.9
177.12616	4.0
179.14326	75.8
189.12810	3.5
199.14827	4.2
227.12814	7.5
235.16985	3.7
239.51114	3.5
259.20599	8.3
269.17462	14.8
275.20035	6.6
277.21640	69.8
282.50885	3.9
293.21173	37.3
317.24930	3.9
319.41965	4.1
335.25778	13.3
339.37228	3.5
351.25320	51.7
366.19034	3.7
367.24771	12.1
451.81577	4.1
469.44797	3.6
545.38385	100.0
627.46240	54.6
645.46460	4.4
680.32874	9.0
681.42249	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	680.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.01868	3.7
55.05512	24.9
57.03441	11.9
57.07076	7.4
59.05005	2.3
65.03933	3.4
67.05505	100.0
69.03429	2.8
69.07073	22.3
70.06602	2.9
70.77531	4.1
71.04996	5.2
71.08621	5.4
79.05491	48.6
81.03422	2.7
81.07058	79.0
83.04980	5.6
83.08627	14.3
85.06553	3.6
85.10181	1.6
85.13602	1.9
91.05477	38.7
93.07044	59.3
95.04965	4.5
95.08604	47.2
97.06541	8.4
97.10159	9.1
98.06042	3.6
99.08082	3.6
105.07034	30.2
107.04965	5.1
107.08595	32.7
109.06519	3.4
109.10155	44.9
111.08091	5.1
112.99639	1.7
117.07024	8.4
119.08572	21.8
121.06496	1.6
121.10143	24.2
123.11678	8.5
125.09635	6.3
129.06987	1.5
131.08586	15.8
133.10121	16.3
135.08081	3.3
135.11690	15.5
137.09608	3.6
137.13283	1.6
139.11180	2.1
141.07043	1.6
143.08554	3.2
145.10136	13.0
147.11694	10.5
149.09598	4.4
149.13263	9.6
151.11177	2.8
155.10710	2.5
157.10107	3.9
159.11684	10.5
161.13234	8.8
163.11182	4.9
163.14796	3.3
171.11668	4.0
173.11781	7.3
173.13284	6.2
175.11250	1.8
175.85179	1.5
177.12737	2.4
179.14297	8.6
184.07396	5.7
185.13278	2.8
187.14815	3.0
189.11215	3.4
195.13782	2.4
197.42653	1.7
199.14935	2.0
201.16273	1.9
210.14932	2.5
227.12769	11.1
229.14349	30.5
229.19460	2.5
243.21097	4.6
247.20694	1.8
252.15964	3.7
257.19025	5.0
260.63455	1.5
261.22211	12.5
269.17493	14.6
270.16922	1.6
275.20099	21.0
277.21683	7.6
291.19354	1.6
293.21130	2.9
312.64163	1.6
317.24768	6.6
333.24155	1.9
335.25803	76.2
336.26123	2.3
349.23712	12.9
351.25256	5.7
367.24771	8.2
437.34073	3.0
467.37155	6.1
472.37448	1.5
489.35651	23.1
505.34900	2.6
515.37830	2.9
529.38916	37.5
564.42670	2.5
569.41455	2.4
582.43359	2.2
609.45142	15.6
627.46045	24.3
632.05377	1.7
680.41376	10.4
681.42889	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	681.1664
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.60890	0.2
51.75280	0.2
52.30126	0.1
53.03946	1.3
55.01879	1.1
57.03443	1.3
61.02888	0.5
61.03174	0.2
66.32169	0.2
68.26993	0.2
68.99754	0.6
69.03433	3.5
71.01308	0.2
71.04997	5.9
73.02866	0.8
81.03423	4.3
83.04946	0.3
85.02910	12.1
86.09690	0.2
87.00829	3.2
87.04441	0.2
91.03918	0.3
91.05453	0.3
97.02895	2.5
99.04451	1.5
105.01881	1.9
109.02892	4.1
111.00741	0.3
111.04420	0.4
117.01804	0.6
121.02879	1.4
122.11411	0.2
127.03923	6.4
129.01804	0.6
129.05499	1.1
133.02850	0.2
136.07565	0.2
137.02339	0.2
145.04967	2.4
147.02861	0.4
147.04420	0.2
153.01828	2.1
157.06396	0.3
159.02896	2.6
163.03896	0.2
164.77635	0.2
165.01834	1.0
177.05428	0.2
183.02878	0.6
184.34628	0.2
213.03693	0.2
213.05426	0.6
215.16132	0.2
231.04865	1.1
241.04959	0.5
258.05298	0.6
259.06012	0.4
287.05508	100.0
288.05923	1.4
299.05527	0.2
329.06519	0.7
347.09814	0.2
357.18869	0.3
373.14163	0.4
397.09509	0.3
409.42532	0.2
415.10516	0.3
433.11249	0.3
519.24121	1.6
535.11121	1.4
681.29443	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	681.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82018	1.3
53.03947	7.1
55.01869	4.2
55.05513	22.1
57.03427	2.7
57.07064	5.6
59.04997	1.9
65.03943	2.6
67.05515	27.4
67.51183	1.4
68.29964	1.2
68.87395	1.3
69.03435	16.3
69.07075	47.2
69.66171	6.8
71.05008	10.3
74.78015	1.4
79.05494	19.1
81.03423	20.1
81.07063	87.2
83.04997	9.9
83.08633	10.3
83.29717	1.5
85.02914	42.3
85.06545	8.0
91.05492	19.4
93.06483	2.8
93.07053	51.1
95.04979	25.9
95.08617	62.7
97.02908	15.0
97.06538	9.8
97.10175	30.6
98.33997	1.3
99.03851	2.3
99.04456	32.9
99.08118	2.9
101.06020	1.5
103.03958	45.7
105.07040	29.6
107.08603	41.1
109.02885	15.3
109.06543	8.5
109.10173	48.0
111.08082	9.9
111.11736	10.6
117.07034	2.8
119.04955	15.4
119.08598	26.6
119.95277	1.4
121.06549	3.3
121.10153	42.7
123.08072	3.4
123.11716	69.5
125.09641	4.6
127.03933	55.1
131.08566	7.5
133.10162	16.6
135.11702	34.4
137.09651	5.0
137.13255	11.2
139.11189	23.6
141.12726	4.5
143.10686	2.3
145.04961	16.8
145.10126	13.7
147.04425	74.1
147.11699	35.2
148.04759	2.5
149.09605	4.8
149.13263	10.8
151.11180	5.9
151.14859	1.9
153.12740	13.5
157.10147	2.8
157.12285	15.9
159.11716	19.8
161.13260	13.1
163.06058	12.3
163.11195	11.2
163.14839	4.2
165.12782	10.1
167.10732	1.5
169.10051	2.1
169.12273	7.5
171.11707	1.5
171.13820	8.2
173.13271	5.3
175.11221	1.8
175.14854	5.1
177.12743	4.0
177.16367	3.6
179.14258	2.3
181.12250	4.7
183.11713	1.6
183.13780	2.0
187.06036	4.6
187.13313	14.8
187.14873	4.7
189.16360	2.4
191.14316	2.2
192.00079	1.6
193.15907	2.7
195.17522	1.7
201.16396	2.0
203.12773	7.1
203.17978	2.3
205.15918	3.0
209.15427	3.0
215.18056	2.4
217.14365	2.6
219.17564	1.8
221.19063	1.9
229.16000	1.5
233.15387	3.2
237.18610	2.6
251.16458	7.3
251.20096	2.1
253.17969	1.6
257.22736	6.8
267.21094	3.7
269.17517	2.4
271.08084	3.4
273.22333	1.7
275.23730	13.9
277.21521	2.0
285.22073	8.3
287.05582	8.3
289.09198	1.6
291.23239	14.2
293.24741	14.0
303.23218	100.0
307.10208	3.7
309.24338	11.5
321.24268	65.3
327.25391	3.0
339.21362	2.9
339.25330	32.9
357.26303	9.7
429.26218	2.0
447.27258	3.7
465.28421	5.4
483.29092	2.7
525.30554	1.5
543.31586	2.8
591.31213	3.4
609.32379	4.2
627.33795	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	681.434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71060	0.6
55.05503	2.8
57.03437	1.0
57.07079	0.9
67.05511	6.5
68.05862	0.8
69.07071	3.2
71.53423	0.7
79.05486	5.1
80.05823	0.8
81.07059	6.2
82.07380	0.8
83.04996	1.0
83.08630	1.5
86.09708	1.5
91.05503	4.6
93.07036	5.7
95.05014	0.8
95.08602	3.6
97.10217	1.2
105.07028	3.1
106.58756	0.6
107.05014	1.0
107.08592	3.6
109.10173	2.0
117.07033	1.9
119.08621	2.2
121.10174	2.1
125.00084	0.7
125.09612	1.0
131.08606	1.4
133.10141	2.6
135.11703	1.7
145.10115	1.4
147.11693	1.4
149.13335	0.8
159.11755	1.2
167.79610	0.5
169.94415	0.7
171.11740	0.6
177.12964	0.5
184.07352	3.9
185.07718	0.9
193.62691	0.5
248.56387	0.8
260.90723	0.7
317.20987	1.2
331.18802	4.1
333.24225	0.7
336.26227	0.9
357.95520	0.7
373.23438	1.7
387.21417	3.0
474.58887	0.7
528.37732	1.4
610.45148	1.5
628.46338	0.8
681.43341	100.0
682.44183	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	682.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.2
55.01865	6.0
55.05515	36.1
57.03430	10.6
57.07077	9.8
65.03953	3.7
65.42818	3.4
67.05512	100.0
69.07073	29.9
71.04987	6.8
71.08621	10.5
79.05498	69.6
81.03432	5.3
81.06599	7.2
81.07063	99.2
83.04972	4.5
83.08620	19.5
85.06536	6.6
91.05495	43.1
93.06497	4.6
93.07055	84.5
95.04941	7.5
95.08613	61.4
97.06517	7.2
97.10173	11.4
99.08129	5.1
105.07034	45.1
107.08597	38.8
109.06522	4.0
109.10165	32.2
111.08048	4.3
117.07036	24.9
119.08584	33.0
121.10165	28.5
123.11691	4.8
125.09656	4.0
129.06990	8.7
131.08557	37.9
133.10141	21.3
135.08113	4.5
135.11711	18.6
139.11211	4.1
143.08549	11.8
145.10089	20.9
147.11688	11.7
149.13275	13.7
151.11142	6.3
155.08658	4.8
157.10146	11.6
159.11722	13.8
161.13257	8.5
163.14833	8.9
169.10085	5.2
171.11684	10.8
173.13255	9.0
175.14825	5.8
183.11760	5.6
185.13348	5.0
187.14786	7.7
199.14882	5.8
229.14325	8.2
243.21153	9.4
261.22202	13.6
269.17447	18.1
277.21744	7.1
317.24683	4.8
335.25858	39.1
351.25519	6.8
433.33179	4.3
437.33932	8.0
471.34094	3.8
489.35858	9.2
511.37762	4.1
515.37299	12.8
517.38428	5.9
527.37726	5.2
529.38940	78.4
537.43365	4.2
611.46759	30.6
629.47321	16.6
629.93176	4.0
664.42303	5.9
682.43762	74.0
683.43561	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	683.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
54.58117	1.2
55.01868	1.7
55.05264	2.0
55.05509	20.7
56.67948	1.2
57.03428	2.2
57.07079	6.1
59.05000	2.1
59.17987	1.2
63.91169	1.2
67.05179	2.0
67.05511	27.0
69.03446	9.5
69.07069	35.7
70.81917	2.8
70.82255	1.3
71.05005	7.1
73.02921	1.2
77.47695	1.2
79.05492	15.6
81.03435	11.8
81.07061	100.0
83.04970	3.4
83.08628	10.2
84.08192	1.3
85.02909	28.9
85.06536	10.2
89.06029	1.3
91.05473	7.0
92.14970	1.2
93.07051	36.1
93.07636	1.9
95.04954	5.5
95.08612	81.9
97.02892	8.1
97.06550	10.7
97.10173	27.2
99.04464	18.9
99.08091	3.8
103.03945	28.5
105.07052	11.7
107.08601	43.4
109.02892	12.0
109.06515	2.7
109.10163	31.5
111.08093	16.9
111.11736	12.9
113.06022	1.2
118.97470	1.2
119.08578	11.8
121.10150	30.4
122.10407	1.2
123.08111	2.7
123.11712	67.4
125.09631	4.5
127.03929	44.8
131.08524	3.2
133.10136	8.4
135.11710	15.4
137.09619	2.4
137.13263	31.7
139.11188	19.6
141.12746	4.8
142.79526	1.4
145.04967	10.2
145.10130	3.9
147.04410	1.2
147.11703	9.5
149.13269	51.9
151.11154	3.1
151.14828	2.4
153.12737	7.1
155.14323	5.6
157.10126	2.1
157.12245	21.0
159.11694	2.0
161.13260	7.7
163.03908	1.6
163.06033	8.7
163.11240	1.7
163.14783	8.4
165.12778	3.8
167.14310	2.2
169.12274	8.7
171.11667	1.4
171.13835	4.0
173.13211	1.8
175.14841	4.1
177.12624	1.8
177.16385	3.4
181.12279	1.4
185.11797	1.6
185.15340	1.5
187.06029	4.6
187.13315	19.6
187.14833	1.3
189.16431	2.5
191.18028	2.0
194.98854	1.4
203.12804	12.6
207.17528	1.7
209.15402	2.4
213.16345	1.7
217.19514	2.0
219.17574	2.0
223.16849	2.1
224.95673	1.4
227.18297	1.3
235.16879	2.2
237.18513	3.3
249.18565	1.9
250.36931	1.4
253.17995	2.8
253.21541	3.7
269.22690	3.2
271.08228	3.5
275.23627	3.4
277.25269	5.3
279.23422	1.1
287.23831	5.8
289.09235	2.5
293.24783	16.5
303.23059	1.7
305.24753	83.4
307.10202	2.8
311.25671	6.3
323.25815	65.0
324.26398	1.9
329.26920	5.7
341.26883	8.6
359.27942	15.8
385.85464	1.3
413.26868	2.0
424.59079	1.3
431.27802	2.8
437.28915	1.8
449.28735	1.4
467.30228	1.8
497.30945	2.5
509.31149	3.9
527.32202	5.7
581.33063	3.5
593.33051	3.3
611.34418	6.8
673.60602	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	5.6
55.01867	2.5
55.05270	1.4
55.05517	17.9
57.03428	2.5
57.07077	6.8
59.04983	2.0
65.03934	2.3
67.05188	2.1
67.05511	26.7
69.03435	10.6
69.07073	38.5
69.40375	8.2
70.06578	1.9
70.07426	1.1
71.04991	5.6
71.08616	1.1
73.02900	1.2
73.06531	1.5
76.63234	1.0
77.03896	1.2
79.05498	12.9
81.03417	11.5
81.07065	100.0
83.04970	3.9
83.08614	11.6
85.02911	27.5
85.06554	9.6
86.16624	1.1
87.04476	1.3
90.04600	1.0
91.05486	7.3
93.07053	38.5
95.04961	4.2
95.08616	79.9
97.02912	10.2
97.06528	11.1
97.09558	1.5
97.10177	24.6
99.04460	20.6
99.08096	2.8
103.03952	34.1
105.07040	12.6
107.08604	43.9
108.08939	1.4
109.02880	12.2
109.06498	5.4
109.10164	32.8
110.19764	1.0
111.08087	15.9
111.11729	11.5
113.09658	1.4
117.07019	1.3
119.08621	9.4
121.09339	1.9
121.10157	27.2
123.08105	2.6
123.11713	61.1
123.28271	1.3
124.89657	1.1
125.09633	3.6
125.97857	1.0
127.03931	37.1
131.08562	2.7
133.10149	10.9
135.11688	16.3
136.06169	1.1
137.13269	30.6
139.11180	20.7
141.09111	1.3
141.12753	5.2
145.04970	11.8
145.10120	3.6
147.04362	1.1
147.07993	1.2
147.11697	10.4
149.13272	46.3
151.11192	4.4
151.14815	2.5
152.05763	1.4
153.12740	9.0
155.14279	6.8
157.10178	1.6
157.12253	19.7
159.11674	3.6
161.13295	6.7
163.03877	1.4
163.05972	8.0
163.11203	2.8
163.14865	9.1
165.12785	3.2
167.14317	2.7
167.78474	1.1
169.12257	6.9
171.11641	1.6
171.13780	2.4
173.09589	1.0
173.13260	2.4
175.14842	3.5
177.12796	1.7
177.16362	3.3
179.14265	1.4
185.15208	1.2
187.05974	3.5
187.13316	22.1
187.14856	1.7
189.16393	2.4
191.17848	1.3
195.13820	1.6
201.16426	1.4
203.12801	11.3
203.17982	2.8
205.07027	1.5
207.17509	1.3
209.15367	2.6
213.16397	2.2
215.17975	1.6
217.14285	1.9
217.19496	1.4
223.16969	2.1
235.20587	1.7
237.18619	2.6
249.18494	3.7
253.17946	2.8
253.21603	3.6
259.24191	1.4
269.22437	2.5
271.08057	3.3
275.23730	2.5
277.25220	5.4
287.23734	6.4
289.09308	2.4
293.24759	17.9
295.67877	1.0
305.24762	79.9
306.24887	1.4
307.10236	3.0
307.26266	1.5
311.25882	6.8
323.25827	66.8
329.26788	6.8
341.26932	10.2
354.75113	1.0
359.27948	16.8
367.85031	1.2
395.25351	1.3
413.26926	2.1
431.27942	4.7
432.27698	1.1
449.29016	2.2
455.29968	1.8
497.30997	3.2
509.31223	1.8
527.32416	5.4
563.31512	1.3
575.31409	1.4
581.33551	2.6
593.33063	2.9
611.33899	6.0
683.31177	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	683.4492
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
53.03953	0.3
55.05504	0.6
57.03437	0.4
61.76722	0.3
67.05493	1.9
69.03422	0.3
69.07065	0.9
69.61651	1.7
75.04478	0.4
78.96336	0.2
79.05480	2.1
81.03420	0.5
81.07069	2.2
83.04998	0.3
83.08626	0.5
91.05472	2.0
93.07042	2.4
95.04993	0.4
95.08604	1.3
105.07047	1.4
107.08601	1.2
109.10166	0.7
119.08572	0.6
121.10152	0.5
128.45609	0.2
129.06940	0.4
131.08598	0.4
133.10126	0.7
134.06024	0.4
135.11676	0.7
137.09538	0.4
142.04625	0.3
145.10129	0.5
147.11653	0.4
157.10226	0.3
161.13361	0.3
169.34926	0.3
173.13277	0.3
221.10980	0.3
223.08763	0.3
251.08086	0.3
255.15157	0.3
283.11121	0.3
317.20978	0.9
333.20370	6.8
333.24173	0.4
337.12280	0.4
360.83582	0.3
373.23560	0.8
389.22986	3.3
461.25223	0.5
549.25244	0.5
561.20972	0.5
576.23505	0.6
577.25037	0.5
580.23114	0.5
585.37708	0.5
591.26477	0.4
609.26721	0.3
636.26172	0.6
651.28186	8.9
652.28436	1.0
683.31464	6.0
683.44885	100.0
684.45276	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	683.4495
Annotation	Phepropeptin A
Peak:m/z	Relative Intensity
55.05507	0.8
57.03450	0.5
61.07331	0.5
65.16092	0.5
67.05512	2.8
68.57792	0.5
69.07053	1.2
69.19981	4.8
71.08649	0.6
74.79942	0.4
74.88239	0.5
79.05508	2.7
81.03439	1.1
81.07068	3.2
83.04977	0.5
83.08595	0.9
86.08379	0.5
91.05486	1.4
93.07051	2.7
95.04993	0.6
95.08612	1.7
97.06528	0.5
97.96690	0.5
105.07028	1.7
107.08590	1.0
109.10155	0.6
117.07070	0.9
118.96184	0.6
119.08572	1.3
121.10095	0.7
131.08559	0.8
133.10158	0.8
135.11668	0.8
145.10155	1.0
147.11711	0.7
163.57736	0.5
171.11754	0.6
189.84772	0.5
247.12886	0.5
255.23177	0.7
256.23538	1.2
259.20584	0.6
317.20963	0.8
333.20392	5.4
373.23520	1.2
389.22836	2.9
480.25922	0.7
585.37604	0.7
683.44928	100.0
684.44727	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
61.71897	1.5
63.61145	1.5
67.05493	5.0
69.03412	1.4
69.07037	1.9
71.04972	1.7
79.05495	4.1
81.07072	3.9
81.28613	1.5
89.06020	2.3
90.34843	1.5
91.05435	1.8
93.07049	3.3
95.08608	3.4
96.84335	1.6
101.12383	1.5
107.08565	2.8
109.10183	2.2
119.08538	1.5
121.10122	1.7
145.10217	1.5
171.13809	1.6
203.06110	1.3
236.13071	1.5
236.55350	1.6
238.14560	1.9
249.13838	1.7
274.17169	1.4
311.33035	1.5
313.27322	3.1
323.52362	1.6
333.20496	2.7
363.62857	1.8
389.22577	1.5
394.21542	1.7
414.63065	1.4
421.20227	2.3
435.21988	2.5
447.21722	1.8
449.19763	3.4
451.21579	2.1
453.23007	8.9
463.21313	2.7
473.19888	2.4
481.22516	2.1
497.21945	6.3
509.21753	3.6
523.22986	4.4
539.01373	1.7
551.22809	4.9
565.24115	1.7
583.25665	13.5
611.25134	10.0
621.23523	4.7
626.26990	3.4
635.24902	4.9
653.26550	4.0
667.27576	1.7
685.28400	100.0
685.46252	95.4
685.54791	2.0
685.58392	2.5
686.28595	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	685.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30437	0.4
55.05513	1.1
57.03448	0.8
57.07075	1.1
67.05513	4.1
69.07070	1.3
69.77041	2.0
70.83626	0.3
71.08630	0.9
79.05467	2.0
81.03419	1.0
81.07063	3.9
83.08620	0.9
85.10159	0.4
86.09733	0.5
91.05492	1.4
93.07056	1.9
95.05021	0.6
95.08598	3.4
97.10204	0.4
105.07027	1.0
107.08604	1.4
109.10161	1.6
119.08564	0.8
121.10162	1.0
123.11708	0.4
125.09624	0.5
131.08549	0.6
133.10147	0.8
135.11713	0.7
139.05412	0.4
146.98219	0.6
157.10162	0.4
193.12396	0.5
267.15970	1.5
313.27426	2.3
333.20428	0.4
335.22137	0.6
335.26138	0.5
351.21359	5.9
391.24765	0.5
407.24112	3.4
503.37076	0.6
505.38498	0.8
561.41461	0.6
601.40625	0.5
611.24481	0.4
627.36505	0.9
644.61505	0.5
685.29987	3.4
685.46411	100.0
686.29309	0.5
686.46820	4.5
687.83209	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99738	0.7
53.03947	1.5
55.05515	8.9
57.03439	11.4
57.07077	2.5
59.05003	3.7
61.02925	4.6
65.03941	1.5
66.71983	0.7
67.05508	90.7
69.03423	1.3
69.07077	6.6
70.78042	1.7
71.04998	2.9
73.02916	1.5
79.05497	16.1
81.03407	0.9
81.07058	32.7
83.04990	1.3
83.08624	7.0
85.02900	3.7
85.06544	2.2
91.03944	1.7
91.05483	12.7
93.07046	22.9
95.04996	1.2
95.08611	23.8
97.02906	1.9
97.06549	0.9
97.10173	1.9
99.08126	0.9
105.07037	6.7
107.08601	13.4
109.10160	74.4
111.08096	3.2
117.07021	2.2
117.84868	0.7
119.08588	8.9
121.10142	8.3
123.11736	3.1
125.09661	1.2
131.08569	5.2
133.10149	5.2
135.11700	7.8
137.09612	2.6
137.13258	1.3
141.02773	0.6
145.10120	4.0
147.11707	2.8
149.13243	4.0
155.10657	8.6
159.11717	2.9
161.13266	2.1
163.14803	2.3
173.11769	16.3
173.13274	2.1
175.14862	0.9
187.14771	1.5
189.11247	0.8
201.16322	0.8
227.12766	4.8
229.14360	100.0
230.14682	1.0
233.22591	0.8
243.21129	5.0
261.22159	14.4
317.24619	3.5
334.48230	0.6
335.25818	67.1
336.26184	1.0
379.29828	0.8
397.31116	1.5
402.94534	0.7
415.32120	1.4
431.99454	0.6
471.34439	0.9
489.35782	43.9
490.36041	1.0
507.36905	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36980	0.6
53.03942	1.6
54.84415	0.8
55.05515	13.2
57.03442	11.7
57.07080	1.4
59.04996	3.1
61.02930	5.1
61.29442	0.7
65.03932	2.2
67.05508	100.0
69.03439	1.7
69.07070	8.7
70.78075	1.6
70.78419	0.9
71.04999	3.7
71.08633	0.7
73.02941	0.9
76.05351	0.6
77.03894	0.9
79.05496	20.3
81.03449	0.9
81.07061	38.9
83.04984	0.8
83.08629	7.7
85.02926	3.5
85.06561	2.6
91.03981	2.2
91.05487	13.0
93.07048	25.8
95.04982	2.2
95.08614	27.6
97.02922	2.8
97.06550	1.9
97.10202	1.3
99.08108	1.5
105.04524	0.9
105.07037	8.7
105.83635	0.9
107.06145	0.8
107.08609	13.4
109.06516	0.8
109.10162	75.8
111.08103	2.9
117.07021	2.5
119.08581	11.9
121.10148	11.1
123.08065	0.9
123.11728	3.3
124.08226	0.7
125.09685	1.4
127.03967	1.0
131.08574	6.6
133.10127	6.4
135.11699	6.9
137.09666	3.1
137.13275	1.4
145.10161	2.7
147.11757	3.0
147.83044	0.7
149.13271	4.6
155.10684	8.8
159.11687	3.7
161.13318	2.9
163.14865	2.2
167.48306	0.7
173.11801	13.5
173.13304	3.2
177.16405	0.9
187.14888	1.4
189.91397	0.7
204.77776	0.8
227.12794	5.3
229.14363	86.6
230.14807	1.6
243.21133	4.7
261.22165	19.0
261.24789	1.0
264.26056	0.8
283.94669	0.7
317.24921	2.7
335.25821	76.0
336.25916	1.5
373.18869	0.8
397.31308	1.0
415.32336	1.0
471.34882	1.2
489.35764	59.0
490.36386	1.6
507.36932	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	687.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.9
59.05013	1.2
67.05508	9.9
68.05838	1.0
69.07070	1.5
71.08626	0.9
79.05506	1.5
81.07053	3.1
83.08626	1.0
86.09759	0.9
90.51266	0.9
91.05499	1.2
93.07053	2.3
95.08608	3.1
98.21629	1.6
107.08607	1.9
109.10170	5.6
119.08614	1.0
121.10144	0.9
131.08583	1.1
133.10153	1.8
170.31776	0.7
173.11743	1.6
209.10796	0.9
225.13956	2.5
229.14407	6.3
230.14934	1.7
237.13879	1.9
238.14597	1.1
249.14024	1.1
251.15428	1.0
252.16042	1.3
301.15897	0.9
335.25668	3.8
336.26227	3.1
351.15945	0.9
352.17566	1.4
353.17807	1.7
364.17938	1.1
365.18112	1.3
366.18594	2.2
367.19305	2.8
377.18179	1.6
379.15491	1.4
380.16541	1.0
381.16736	0.9
381.21112	3.8
391.19458	1.5
393.20782	2.3
395.18744	2.5
396.19595	1.0
397.20718	1.0
405.17184	2.1
407.18808	1.5
408.19666	1.1
409.20163	3.9
410.21103	2.9
411.22000	4.7
420.19717	2.3
421.20294	2.5
422.21353	1.4
423.22418	3.8
425.23627	1.6
437.18741	1.3
437.23737	2.8
438.24445	1.0
439.22025	1.1
447.21936	1.8
448.18771	9.0
449.19687	2.0
450.20868	1.2
451.21472	1.6
453.23160	2.7
454.23560	1.5
461.19278	1.1
465.18259	1.2
466.23825	1.9
468.25543	6.9
469.25964	1.9
475.17819	3.6
476.18478	1.6
477.19385	1.3
480.21414	9.8
481.22562	2.5
483.24136	2.0
484.22733	1.0
489.35956	1.5
490.36139	1.5
493.18713	1.6
494.19620	1.7
496.24927	5.6
497.25647	6.6
498.26416	9.6
503.20853	1.5
506.22864	1.5
507.20081	1.8
508.21280	2.9
509.21252	0.9
511.27377	1.5
512.27863	1.8
521.22382	0.9
524.24200	3.7
525.25311	5.8
534.22479	1.9
535.22882	1.9
537.25293	1.0
539.26709	4.4
540.27533	3.5
552.23413	1.9
553.24481	3.0
563.23358	2.2
565.24628	1.5
567.26080	5.5
568.26495	1.1
580.22974	1.3
584.26135	2.9
585.27136	3.6
590.25085	1.4
594.24609	7.8
595.25397	2.8
596.25836	1.5
597.26630	1.8
599.28510	2.6
609.27362	0.9
612.25806	16.5
613.26471	3.6
623.23981	3.2
627.28094	16.9
628.28326	2.0
637.26831	3.8
655.27606	39.8
656.28955	1.6
687.30249	100.0
688.30627	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	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
67.05502	19.5
69.07068	4.3
71.17268	5.1
79.05507	4.2
81.03418	2.9
81.07068	7.3
83.04955	2.9
83.08631	3.3
91.05454	4.3
93.07056	4.7
95.08633	3.4
105.07058	3.1
107.08627	4.6
109.10167	11.7
118.22768	2.3
119.08586	2.8
130.84395	2.6
145.10197	2.2
162.32132	2.4
173.11823	4.5
225.13728	2.5
226.78137	2.5
229.14424	7.0
230.14955	2.4
237.14084	2.8
249.13971	2.7
267.29953	2.7
335.26065	7.1
336.26367	2.4
353.17938	3.6
365.17844	4.9
366.18533	2.5
367.19186	4.5
377.18060	5.1
381.20917	8.5
391.19275	6.2
392.20010	3.5
393.20959	5.9
394.18088	2.6
395.18671	5.0
405.17014	12.7
407.18826	6.4
409.20447	5.8
411.22058	4.3
420.19543	15.2
421.20468	7.8
422.21124	10.2
423.22208	3.0
425.23663	2.7
433.16531	7.2
437.19937	7.4
448.18866	51.8
449.19913	8.9
453.23074	4.7
465.19574	8.1
468.25494	14.8
469.26535	4.4
475.17599	8.2
475.22739	3.2
476.17874	4.2
480.21609	69.8
481.22064	7.2
483.24121	3.0
490.35934	3.0
491.20554	3.4
493.22751	7.6
494.20468	2.8
496.25021	7.0
497.25565	8.2
498.26395	7.5
507.20557	3.9
508.21533	10.3
521.21423	3.6
524.24512	3.8
525.24927	7.8
534.22980	6.9
535.24005	2.8
539.27008	4.2
553.24359	7.2
563.23273	7.2
566.25195	4.4
567.26257	4.3
594.24817	53.4
595.25006	4.8
609.26990	25.5
612.25793	34.9
613.26642	10.2
627.28595	9.2
637.26581	59.7
638.26978	4.0
655.27673	98.1
687.30328	100.0
687.42059	5.2
688.30957	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28060	0.5
53.03926	1.4
55.01874	3.8
55.05513	9.1
57.03442	6.7
59.04971	1.6
61.02904	1.7
64.22238	0.7
65.03920	0.7
67.05511	11.3
69.03394	1.1
69.07062	3.3
71.03294	1.2
71.04966	2.0
73.02892	1.2
77.03861	0.8
79.05499	16.2
81.03424	6.0
81.07059	13.6
83.01324	4.5
83.04987	5.4
83.08620	8.2
85.02893	3.1
85.06529	0.8
86.09730	0.6
91.03923	0.6
91.05006	0.6
91.05484	8.1
93.07049	25.2
95.04981	5.4
95.07999	0.9
95.08611	19.0
97.02893	3.6
97.06511	3.9
97.10126	0.7
99.04465	3.0
105.04552	0.6
105.07050	5.5
107.04964	7.8
107.07905	1.1
107.08601	16.8
109.06531	4.4
109.10136	2.5
111.04404	2.0
111.08018	0.9
117.07012	6.9
119.08572	8.9
121.06519	4.1
121.10153	8.8
123.08083	3.5
125.05949	2.6
129.06953	0.9
130.07782	1.3
131.08525	2.4
133.10089	2.2
135.03358	0.6
135.04398	0.7
135.08017	1.8
135.11696	29.9
137.09639	0.8
139.07538	1.8
145.06473	1.3
145.10129	20.8
147.04324	0.9
147.08046	2.2
149.09619	1.1
153.12706	1.9
155.08511	1.1
163.03868	0.6
163.11189	42.0
173.09618	2.0
181.12245	7.2
184.07321	1.2
191.10620	1.9
209.11760	3.9
227.12790	34.6
267.15948	1.0
283.15402	100.0
284.15768	1.1
360.42096	0.7
459.27271	0.8
473.25226	1.0
491.26422	84.9
492.27118	1.4
517.62634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34035	0.3
51.43692	0.3
53.03917	1.3
55.01874	4.6
55.05513	8.8
57.03439	6.1
57.07060	0.5
59.05003	1.9
61.02935	2.7
65.03916	0.8
67.05503	6.8
67.67832	0.3
69.03387	1.2
69.07069	2.5
71.01321	1.1
71.05003	2.2
71.23316	0.3
73.02883	0.9
74.85291	0.3
77.03904	0.4
79.05497	11.1
81.03421	8.2
81.07061	10.8
83.01346	6.8
83.04984	7.7
83.08170	0.6
83.08619	8.0
85.02454	0.4
85.02911	4.8
85.06527	0.7
86.13020	0.4
90.82243	0.4
91.03925	0.9
91.05488	8.3
93.07047	15.6
95.04980	4.4
95.08081	0.4
95.08615	4.4
97.02888	3.7
97.06530	2.9
97.10140	0.6
98.07318	0.4
99.04467	2.2
99.08064	0.7
103.05440	0.4
105.07030	6.0
107.04955	5.9
107.07886	0.6
107.08592	9.4
109.02895	0.4
109.06524	5.4
109.10109	1.1
111.04426	2.0
111.08054	1.2
113.05920	0.4
115.05409	0.4
117.07021	5.4
119.07826	0.5
119.08588	6.0
121.06516	2.4
121.09322	0.5
121.10145	5.8
123.04349	0.4
123.07201	0.5
123.08061	6.6
125.05960	1.4
125.06786	0.4
125.09629	0.8
127.03881	0.5
129.05426	0.3
129.06995	1.1
130.07732	1.3
131.08594	2.1
133.10100	1.5
135.04364	0.6
135.08023	1.3
135.10713	0.5
135.11697	8.2
137.09596	1.1
143.08530	0.8
145.06493	0.7
145.10127	11.0
147.08044	1.4
149.05919	0.4
149.09599	0.7
151.11189	0.6
151.57184	0.4
153.12770	2.4
155.08516	1.1
157.84993	0.3
163.03899	0.7
163.11188	17.4
165.09041	0.5
165.14352	0.3
173.09605	2.4
181.12254	2.7
184.07404	0.4
191.10666	1.6
209.11722	4.6
227.12807	2.7
235.92834	0.4
283.15402	100.0
284.15842	1.3
491.26419	48.0
492.27225	0.9
518.12952	0.4
534.10059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20653	0.1
56.05032	0.6
57.07081	0.2
58.06628	0.4
60.08169	6.2
67.05496	0.2
69.22211	1.5
71.07382	3.0
73.03962	0.1
81.03413	0.3
83.08643	0.2
86.09711	29.5
87.10076	0.1
89.06032	0.4
91.79309	0.1
93.07055	0.2
95.08601	0.2
98.98465	3.0
98.99065	0.3
104.10749	1.9
125.00013	18.3
141.24527	0.2
148.93362	0.1
166.02728	0.2
184.07350	100.0
185.07698	0.6
268.08356	0.2
272.38821	0.2
291.19556	0.3
325.43903	0.2
335.25858	0.4
688.34229	0.3
688.45520	5.0
689.32642	0.4
689.44183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
55.05517	15.3
57.03440	12.8
57.07063	5.2
59.05008	3.7
60.08162	3.4
61.02920	4.9
62.95703	1.5
65.03915	1.6
67.05507	97.5
68.89462	1.4
69.07072	18.7
69.15379	10.5
69.15784	2.7
71.04981	4.4
71.07357	2.4
71.08636	1.5
79.05491	11.2
81.07061	47.6
83.04996	1.8
83.08623	16.8
85.02898	5.2
85.06539	2.8
85.10185	1.8
86.09708	21.1
86.10198	2.4
87.40007	1.3
89.06011	1.8
91.05487	12.6
93.07076	13.1
95.08608	35.5
97.02909	3.1
97.06541	2.5
97.10165	4.8
98.21575	2.3
104.10758	1.7
105.07027	5.3
107.08611	7.1
109.10164	87.6
111.08075	4.9
119.08582	11.1
121.10126	4.6
123.11705	5.1
125.00020	12.0
125.09614	2.3
133.10143	3.8
135.11696	5.1
137.09599	2.7
137.13287	2.3
149.13319	2.3
151.73695	1.5
155.10692	7.8
163.14859	2.9
173.11748	18.9
175.14938	1.9
182.60706	1.5
184.07344	56.7
185.79335	1.3
229.14360	100.0
245.22694	2.9
263.23657	5.6
313.27478	1.6
335.57532	1.4
337.27371	85.5
338.27582	1.8
379.11664	1.4
398.05286	1.4
453.14264	1.6
468.37027	1.9
491.37360	97.0
492.37878	3.1
509.38425	1.5
526.42059	2.7
656.27368	4.8
688.30725	2.7
688.45221	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	689.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59925	0.8
53.03953	1.4
53.27969	0.9
55.05506	2.9
57.03423	1.6
65.27541	0.8
67.05505	7.7
69.03425	2.7
69.07070	1.6
71.53616	1.2
74.23083	0.9
79.05505	7.7
81.03426	8.2
81.07044	7.4
83.05005	1.7
83.08619	1.8
85.02928	1.3
86.09718	1.1
91.05495	6.2
93.07062	7.3
95.04997	4.4
95.08633	4.3
97.10204	1.0
99.04459	1.0
105.07033	3.8
107.04960	2.2
107.08612	3.4
109.02957	1.0
109.06529	0.9
109.10159	1.9
111.04446	1.1
117.07029	1.9
119.08577	3.6
121.10151	3.9
123.04440	1.4
125.00017	1.4
127.03835	1.0
131.08601	3.5
132.08096	1.1
133.10149	2.4
135.11694	2.2
145.10117	2.5
145.11269	1.0
147.11748	1.2
157.10161	1.9
159.11707	1.4
163.11237	1.0
164.10785	2.5
173.09662	1.1
175.11212	1.1
184.07446	3.8
193.12180	2.1
195.11659	0.9
211.13318	3.3
217.12216	1.3
223.12328	1.0
225.14008	1.1
235.13065	1.3
237.13895	1.2
249.14096	1.5
259.12946	1.1
261.21841	0.9
262.13452	1.4
263.14145	1.0
265.13815	1.0
274.13672	1.2
286.13318	0.9
306.12601	1.4
310.15576	0.9
314.16586	2.0
318.15942	1.9
319.15714	1.4
323.14053	1.8
324.15305	0.9
335.25967	3.3
340.17978	1.0
342.19781	1.2
353.17606	1.1
367.19339	2.8
373.17798	1.0
378.19193	1.5
380.20203	1.5
381.20993	3.3
393.16788	1.3
394.17926	3.8
395.18820	3.2
398.18857	1.4
406.18469	1.4
407.18408	1.6
407.23141	1.2
408.19235	1.0
409.20230	33.5
409.25262	2.0
410.21030	2.9
421.20297	2.0
423.21933	10.4
424.22745	14.8
425.23755	1.8
429.20673	6.1
435.22427	1.4
437.24005	2.2
439.17426	2.4
441.19626	1.3
451.21826	2.6
453.18951	9.8
454.20105	1.6
455.25134	1.5
463.21133	2.0
465.22849	3.1
467.21103	2.2
468.21606	3.1
469.22424	2.2
470.22659	1.1
480.18277	1.5
481.22598	3.5
482.23895	1.7
483.24127	3.0
489.22806	1.7
492.21695	1.2
493.22281	3.9
495.20010	2.1
496.25278	1.5
497.18433	1.3
497.25620	24.0
498.26340	2.5
499.24420	1.1
507.24023	1.3
508.24408	1.6
509.22174	4.0
511.23123	1.2
524.24554	2.2
525.24719	1.5
526.21393	1.9
527.23090	4.1
535.19855	1.6
537.21716	1.9
540.23938	1.9
541.24524	27.7
542.25092	8.4
543.26300	1.8
545.38214	1.2
553.20923	7.0
554.22314	1.4
567.26111	4.3
568.23444	2.9
569.23865	3.0
579.22589	2.2
584.26349	18.5
585.27472	2.5
585.37244	1.1
586.27661	2.1
597.23364	2.1
611.25098	8.0
628.25342	2.9
629.25671	5.9
630.26349	2.2
639.24512	10.7
657.28027	2.4
671.27155	81.5
672.27350	2.9
689.28247	100.0
689.41785	7.0
690.28943	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	689.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96355	0.5
65.66575	0.4
74.53159	0.5
89.06030	0.7
93.07050	0.6
98.21523	1.3
158.69815	0.4
164.25600	0.5
165.64456	0.5
174.89941	0.5
181.50761	0.5
184.07362	1.2
251.11807	0.6
378.15930	0.5
427.19791	0.5
445.20157	0.8
454.17932	0.9
455.18503	1.6
456.23251	0.8
457.24188	1.4
459.21933	3.8
459.56326	0.5
460.22183	1.0
468.19742	0.7
469.19681	3.3
470.20953	2.7
471.21494	1.4
483.21854	14.3
484.22565	7.2
485.23196	3.9
499.24850	1.5
527.24969	1.5
533.25494	3.0
543.24023	2.0
556.24884	1.3
557.25201	2.6
559.27240	1.0
571.27301	1.3
573.28802	0.6
583.26611	0.7
585.24713	0.8
587.26697	1.3
592.26843	3.2
601.27588	0.6
616.26849	13.0
617.27673	5.5
629.31232	4.0
631.29382	1.2
645.28351	0.6
659.29187	0.6
660.30286	0.6
689.33368	100.0
690.33521	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	689.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.2
68.17661	0.8
71.18346	0.9
81.07080	0.8
102.12899	0.8
184.07430	1.3
251.11902	0.8
325.74747	0.9
428.19733	0.9
440.02332	0.7
444.19641	1.2
454.17874	1.7
455.18887	2.4
459.21600	3.7
468.19208	1.1
469.20309	3.1
470.21274	3.1
471.21689	0.8
483.21851	12.3
484.22491	7.1
485.23547	2.8
498.24060	1.1
499.25580	0.9
533.25848	1.7
543.24878	1.8
556.24860	0.8
557.25775	1.8
587.27466	0.8
592.26843	1.8
616.26898	9.7
617.27570	4.6
623.84656	0.9
629.30890	3.2
631.29822	1.1
656.82458	0.9
689.33337	100.0
690.33374	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	690.3698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10484	0.8
53.03931	2.0
55.01884	3.9
55.05275	0.7
55.05514	11.1
57.03440	10.0
61.02908	1.2
65.03913	0.9
67.05507	18.6
69.03438	3.1
69.07069	7.2
69.23299	5.3
71.04999	3.6
73.02892	2.0
79.05493	24.1
81.03421	32.3
81.06600	1.1
81.07059	22.5
83.04980	9.0
83.08621	17.8
85.02905	15.2
85.06528	1.9
89.03921	7.4
91.05482	19.4
93.07046	29.5
95.04377	1.0
95.04971	16.2
95.08611	26.7
97.02890	5.0
97.06537	5.3
97.10142	2.0
99.04448	3.0
99.08063	1.2
103.05463	1.1
105.07027	15.4
107.04954	6.9
107.07879	1.1
107.08598	21.2
109.02882	1.3
109.06502	2.9
109.10152	4.3
111.04408	2.2
111.08103	5.7
113.06018	1.4
115.05428	1.1
117.03381	21.1
117.07020	6.5
119.08581	14.6
121.06520	5.7
121.10149	13.0
123.08043	2.3
123.11696	1.2
125.05988	2.6
129.07024	6.6
130.07759	0.9
131.08569	4.7
133.06500	1.4
133.10149	7.4
134.03618	1.3
135.04359	1.5
135.08057	1.6
135.11700	33.3
137.09604	1.1
137.13245	0.7
139.07547	1.8
142.07755	1.4
145.02853	50.3
145.10129	21.2
147.08046	1.7
147.11685	8.9
149.05997	6.9
149.09624	3.5
151.11212	0.9
153.12738	0.9
157.10138	8.0
163.03920	0.9
163.11185	48.5
165.12743	1.2
173.09514	1.0
175.11197	7.7
177.05476	100.0
181.12222	6.9
186.05472	2.3
193.12257	23.0
198.42796	0.7
209.11853	1.8
211.13304	27.2
227.12796	50.0
249.14911	0.8
267.15921	22.6
283.15405	57.3
284.15891	1.1
285.16980	47.3
315.72400	0.7
475.26929	30.1
493.27991	96.2
494.28329	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	690.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87896	0.4
51.02373	0.5
51.38558	0.4
53.03948	2.6
55.01875	6.5
55.05513	13.8
57.03443	10.9
57.07078	0.9
59.05008	2.1
60.51019	0.4
61.02927	4.1
65.03938	1.5
67.05508	17.1
69.03444	3.1
69.07069	5.4
71.01345	0.6
71.04991	3.4
71.53121	0.7
73.02904	1.1
75.83237	0.4
77.18358	0.4
79.05492	21.7
81.03422	39.2
81.07058	20.6
81.07474	0.4
82.07373	0.5
83.01347	5.5
83.04984	14.9
83.08619	18.7
85.02909	16.3
85.03407	0.4
85.06541	1.7
86.09733	0.4
89.03909	0.7
91.03962	1.8
91.05485	22.0
93.07047	21.6
95.04377	0.8
95.04977	17.0
95.08610	10.3
97.02896	5.0
97.06528	4.2
97.10184	3.6
99.04459	1.8
99.08108	0.9
103.05475	0.7
105.07037	15.4
107.04298	0.8
107.04962	9.5
107.08602	10.6
109.02878	1.2
109.06528	6.6
109.10168	2.8
111.04447	2.6
111.08098	5.5
113.06011	1.3
115.05454	1.0
116.06213	0.4
117.03383	2.5
117.07030	4.4
119.04942	0.6
119.08580	13.1
121.06510	2.9
121.10143	9.4
121.10944	0.9
122.21780	0.4
123.08056	5.8
123.11672	0.6
125.05992	1.6
125.09659	1.8
127.03884	0.8
127.07519	0.5
129.07008	6.6
130.07784	1.4
131.08585	7.9
133.06488	1.9
133.10135	7.1
135.04468	0.6
135.08061	1.5
135.11697	9.0
137.05983	0.6
137.09613	1.7
142.07764	1.0
143.08551	1.0
145.02850	6.6
145.06497	1.1
145.10139	11.5
147.08119	2.3
147.11693	8.9
149.05954	1.0
149.09630	4.2
153.12762	1.7
155.08572	1.1
157.10132	7.8
163.11191	13.4
165.12791	1.6
173.09653	2.2
175.11191	7.3
175.97055	0.4
177.05479	13.6
181.12248	1.8
184.07314	1.0
188.12016	0.5
191.10735	2.4
193.12254	23.6
209.11720	4.1
211.13298	33.7
227.12859	3.5
249.15031	0.8
255.09096	0.6
265.14374	1.0
267.15915	11.0
283.15405	56.2
284.15817	0.9
285.16971	31.6
383.21884	3.2
401.23303	1.9
439.25021	0.6
457.25937	4.3
475.26956	16.9
493.27979	100.0
494.28381	3.7
541.78278	0.5
642.23718	0.5
663.57544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	0.7
58.06617	0.6
60.08165	6.1
67.05506	0.4
68.96923	0.2
69.07040	0.2
69.29825	0.5
69.30248	1.0
71.07375	3.4
71.08642	0.2
71.53046	0.1
75.08154	0.2
79.05466	0.2
81.07050	0.3
86.09708	29.0
86.41417	0.2
90.33985	0.2
91.05473	0.2
93.07043	0.4
98.97857	0.1
98.98466	3.3
104.10757	2.7
107.08574	0.2
109.10197	0.2
115.87601	0.2
121.10212	0.2
125.00007	19.2
129.69342	0.2
130.08633	0.2
130.15897	0.2
154.51373	0.2
166.02620	0.2
184.07343	100.0
185.07722	0.3
516.74866	0.2
519.36798	0.2
690.25250	0.8
690.47040	11.0
691.47235	0.2
719.70422	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	690.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
55.05497	4.3
55.43529	1.1
56.90096	1.0
57.02076	1.2
57.03424	1.6
58.20642	1.0
60.08152	4.9
67.05508	8.4
69.07057	4.3
69.28514	3.4
69.28935	6.3
69.73680	1.1
71.07368	2.8
79.05492	8.8
81.07056	9.4
83.08607	2.6
86.09717	30.8
91.05473	8.1
93.07047	11.8
95.08603	7.5
98.98453	2.5
104.10735	1.2
105.07030	8.7
105.83409	1.4
107.08582	4.8
109.10137	4.4
117.06984	4.6
119.08586	8.5
121.10162	5.8
125.00008	18.5
125.09539	1.0
128.06255	1.3
129.07022	2.8
131.08582	4.1
133.10123	6.7
135.11668	3.6
141.07001	1.6
143.08516	3.1
143.74452	1.2
145.10120	5.1
147.11688	3.4
149.13252	2.0
155.08559	1.5
157.10097	2.4
159.11688	4.0
161.13228	2.5
163.11182	1.4
169.10094	1.6
171.11659	3.0
173.13310	1.4
184.07350	100.0
185.13246	1.8
197.13351	1.7
239.18152	1.3
257.19101	2.4
259.20557	3.0
305.04941	1.2
333.24213	3.1
335.25867	2.8
342.09802	1.0
393.31317	1.3
395.29443	1.3
418.20087	1.1
517.40216	2.7
519.36676	3.9
551.15649	1.2
591.43933	1.7
609.45123	22.4
690.34790	2.2
690.46802	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	691.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01867	0.4
55.05513	1.0
57.03437	0.7
62.23481	0.1
63.02393	0.5
65.03962	0.1
67.05508	1.4
69.03435	0.2
69.07074	0.5
70.21525	0.4
71.04993	0.2
77.03916	0.2
78.04721	0.5
79.05499	1.7
80.05836	0.2
81.02985	0.2
81.03424	2.7
81.07050	1.3
82.07381	0.3
83.04984	0.5
83.08633	1.2
85.02911	1.1
87.99376	0.1
89.03918	7.8
91.05481	2.0
93.07043	2.4
93.07632	0.1
94.07395	0.5
95.04971	1.3
95.08611	1.8
96.05313	0.1
96.08973	0.2
97.02893	0.4
97.06521	0.4
99.04473	0.4
103.05488	0.3
105.07024	1.1
106.04166	0.6
106.07360	0.2
107.04980	0.7
107.08601	1.4
108.08916	0.1
109.02879	1.0
109.06523	0.3
109.10148	0.2
111.08063	0.4
113.06033	0.1
117.03384	21.1
117.07019	0.3
118.03687	0.2
119.04903	0.2
119.08593	1.3
120.08916	0.3
121.06503	0.5
121.10155	0.8
124.05251	0.3
125.06068	0.2
127.03909	0.2
129.06993	0.3
131.08571	0.5
132.08891	0.2
133.10149	0.6
134.03639	1.3
134.10463	0.1
135.04430	1.0
135.11707	2.3
136.12022	0.5
139.07539	0.2
145.02850	49.4
145.10101	1.2
146.03214	0.3
146.10495	0.4
147.08084	0.2
147.11714	0.4
149.05984	6.9
149.09534	0.2
157.10126	0.5
158.06017	0.3
162.03160	0.3
163.03870	0.4
163.11185	2.7
164.11600	0.6
175.11244	0.4
177.05473	100.0
178.05875	0.9
181.12233	0.5
186.05508	1.8
193.12251	1.6
194.12593	0.3
211.13307	1.8
212.13618	0.4
223.41185	0.1
227.12798	3.0
228.13121	0.8
259.09744	0.2
267.16006	1.2
268.16162	0.3
283.15408	3.2
284.15771	1.2
285.07623	0.1
285.16977	2.3
286.17245	0.9
291.35303	0.1
302.62552	0.1
303.08600	0.8
349.23572	0.2
475.26712	0.9
476.27209	1.0
493.21323	0.2
493.28030	3.1
494.28284	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	691.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11913	0.1
55.05514	0.1
63.02351	0.6
67.05516	0.3
69.07124	0.1
71.25806	0.1
74.64062	0.1
78.04723	0.3
79.05479	0.3
81.03427	0.8
81.07076	0.6
83.04986	0.2
83.08636	0.2
85.02893	0.3
89.03920	7.8
91.05497	0.9
91.16821	0.1
93.07039	0.4
95.04965	0.4
95.08586	0.2
97.06532	0.2
99.04408	0.1
103.05457	0.2
105.03358	0.1
105.07038	0.4
106.04161	0.4
107.04989	0.1
107.08628	0.1
109.02895	1.1
109.10104	0.2
111.08077	0.2
117.03386	22.5
118.03664	0.1
119.08498	0.1
121.06487	0.2
121.10133	0.2
124.05205	0.2
127.03904	0.1
134.03630	1.4
135.04425	1.1
145.02852	51.4
146.03191	0.4
147.04340	0.1
149.05988	6.9
158.06007	0.4
162.03116	0.1
163.03929	0.3
163.11176	0.3
177.05476	100.0
178.05869	1.1
186.05501	1.8
191.07144	0.1
193.12227	0.3
211.13220	0.2
220.41466	0.1
259.09613	0.2
267.15918	0.2
283.15350	0.4
284.15784	0.2
285.07550	0.2
285.16959	0.3
303.08640	0.9
308.90485	0.1
475.26584	0.2
493.27878	0.9
494.28296	0.9
691.25671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
53.41659	0.5
55.01858	1.3
55.05520	3.4
55.30564	0.5
57.03428	2.1
57.07078	1.2
60.08157	0.8
61.02932	5.0
67.05508	9.6
69.03437	3.2
69.07076	3.8
70.52583	0.5
70.64822	1.0
70.65170	0.8
71.05000	0.7
71.08630	0.8
73.02563	0.5
73.02912	3.6
79.05511	5.0
80.16511	0.6
81.03416	2.4
81.07061	6.6
83.04994	1.3
83.08631	2.4
85.02913	5.2
86.09709	3.2
87.10069	0.7
91.03979	3.1
91.05489	3.4
93.07047	4.8
95.04971	1.5
95.08620	5.3
97.02896	5.7
97.10179	0.9
98.98472	2.5
99.04454	0.9
101.02397	1.3
105.07043	2.5
107.04975	0.9
107.08617	3.2
109.02951	1.1
109.06568	0.6
109.10172	4.5
112.61704	0.5
117.07058	0.9
119.08611	1.4
121.10149	2.5
123.08109	0.5
123.75194	0.5
125.00019	2.3
127.03944	1.3
128.67537	0.6
131.08621	1.1
133.10194	1.2
135.11732	2.5
145.10156	1.7
155.01051	1.1
163.11255	1.5
173.11787	1.2
173.13197	0.6
184.07364	8.0
185.04245	0.6
185.07764	1.3
186.07880	1.1
195.09985	0.6
201.13220	0.6
227.12892	1.8
243.08524	1.4
265.14426	1.1
283.15402	0.6
291.19650	0.6
311.25815	1.7
333.32861	0.7
335.25836	0.7
413.17847	4.3
501.36023	2.1
505.39685	0.5
519.29297	6.6
519.37006	7.8
527.33203	0.5
529.39001	1.7
691.40308	100.0
692.40649	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	691.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40351	0.6
53.03942	0.5
55.01868	1.4
55.05514	3.4
57.03443	2.6
57.07101	1.0
61.02936	4.0
67.05507	11.3
67.05842	0.9
68.31144	0.5
69.03432	3.5
69.07088	2.6
71.01347	1.3
71.04980	0.5
71.08635	0.5
71.53280	0.5
71.53745	0.7
73.02925	3.1
77.31936	0.5
79.05489	5.0
81.03435	2.4
81.07059	6.0
83.04996	0.6
83.08624	2.7
85.02914	5.2
86.09713	1.0
86.15075	0.5
91.03961	2.8
91.05477	3.6
93.07055	4.8
95.05009	1.4
95.08613	4.1
97.02911	4.6
97.06557	0.7
97.10162	1.3
98.98466	2.7
99.04462	0.9
101.02403	2.0
105.07070	1.7
107.04990	0.9
107.08606	2.2
109.02879	0.8
109.10169	7.1
116.07066	0.7
117.07060	1.2
119.08617	2.6
121.10174	2.4
123.11714	0.6
125.00051	0.7
127.03927	1.5
131.08594	1.3
133.10167	1.1
135.11707	1.6
137.09657	1.0
145.10158	1.4
147.08127	0.7
149.13184	0.6
155.01096	0.7
155.10660	0.6
159.11821	0.7
163.11212	1.7
173.09694	0.7
173.11737	2.4
181.12383	0.5
184.07304	3.0
185.04250	0.7
191.10738	0.6
195.09924	1.0
209.11736	1.2
224.07133	0.5
227.12877	1.8
229.14474	0.9
243.08450	2.2
269.17627	0.7
291.19604	1.4
300.91443	0.5
311.25861	1.8
335.25729	0.8
413.17773	9.9
501.35925	1.3
517.24658	0.5
519.29401	4.8
519.36993	8.2
529.39252	1.7
691.40289	100.0
692.40625	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	692.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16108	0.8
50.18447	0.7
53.03938	2.8
55.01863	3.1
55.05266	1.2
55.05510	13.2
57.03191	1.1
57.03438	11.9
59.05006	1.0
61.02916	2.6
63.02371	0.9
65.03938	1.4
67.05507	20.4
69.03441	4.2
69.07069	6.3
69.85532	3.8
71.04983	3.4
71.46219	0.7
73.02895	1.1
77.00262	0.8
79.05496	23.7
81.03419	68.8
81.06586	1.6
81.07055	27.3
82.09074	0.7
83.04975	13.6
83.08619	24.6
84.02350	0.7
85.02111	0.8
85.02907	21.7
85.06525	1.8
86.09689	3.3
87.04466	1.2
89.03918	9.9
90.04248	1.8
91.05482	30.1
92.05835	1.0
93.07049	18.7
95.04372	1.7
95.04968	26.8
95.08611	9.3
97.02881	4.9
97.06539	4.6
97.10168	4.3
99.04418	1.6
99.08113	1.1
103.05511	0.9
105.07042	22.7
107.04960	8.5
107.08597	7.1
109.06516	5.0
109.10155	3.2
111.04447	3.6
111.08082	11.6
112.10480	1.0
112.74084	0.8
113.06005	2.5
117.03382	24.6
117.07018	2.8
118.03704	6.2
119.04958	1.0
119.08585	20.7
121.06519	2.4
121.10157	10.5
123.08067	1.7
123.11704	2.1
124.99969	1.1
125.09615	2.8
127.03931	1.2
129.07018	12.4
131.08557	14.4
133.06448	2.3
133.10132	13.1
134.03635	1.6
135.04350	1.2
135.11676	1.4
137.09621	2.2
142.07811	2.6
143.08554	0.9
145.02847	55.1
145.10098	2.8
146.03183	17.7
147.04433	0.9
147.08090	4.7
147.11687	17.5
149.05989	6.9
149.09642	6.6
150.06349	2.6
151.07562	0.9
151.11108	1.0
155.08469	1.0
157.10133	16.6
163.00568	0.8
163.03963	1.0
163.11205	1.8
165.12749	3.5
175.11197	17.6
177.05473	100.0
178.05815	40.1
178.07414	1.6
179.05925	0.9
184.07365	9.4
186.05493	1.8
193.12248	44.8
211.13303	58.6
244.66275	0.8
249.14877	0.8
267.15921	35.3
277.04733	0.7
285.16965	54.0
304.09177	0.8
367.22668	1.8
385.23587	3.6
433.25711	0.9
441.26404	1.3
459.27429	37.8
477.28516	31.8
495.29553	80.5
496.29718	2.0
639.33746	1.7
692.34229	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05513	18.0
57.03160	0.9
57.03440	15.8
59.04985	1.1
59.81537	0.8
61.02934	5.4
65.03946	2.2
66.73173	0.8
67.05508	29.7
69.03427	7.2
69.07066	7.7
71.04998	6.5
73.02900	1.3
74.74221	0.6
79.05497	34.3
80.31032	0.7
81.03420	94.1
81.07059	33.8
82.03767	1.0
83.04987	21.5
83.08627	32.2
85.02908	37.5
85.06550	3.1
86.09692	1.2
87.04478	0.7
91.03981	2.2
91.05484	46.8
93.06422	0.7
93.07045	23.4
95.04974	40.3
95.08614	13.3
95.09184	1.4
97.02897	6.4
97.06510	4.6
97.10181	5.5
99.08112	2.3
105.07037	29.2
107.04969	10.6
107.08599	9.4
109.06523	6.1
109.10214	3.8
111.04433	4.0
111.08084	13.9
113.06028	4.7
115.05474	2.2
117.07032	2.0
119.04929	1.1
119.08588	25.5
121.06522	2.4
121.10148	11.8
123.08078	2.3
123.11728	3.0
125.09621	2.9
127.07575	0.8
129.07011	14.4
131.08575	16.7
132.92747	0.8
133.06497	3.2
133.10136	16.6
135.11693	0.9
137.08691	0.8
137.09633	3.1
142.07747	3.5
145.10117	2.8
147.08067	3.2
147.11693	23.2
149.09615	8.8
155.08626	0.9
157.08823	1.1
157.10127	22.3
163.11160	1.7
165.12750	5.3
173.85808	0.7
175.11191	23.1
177.05528	1.7
184.07251	1.4
193.10397	1.6
193.12251	66.0
211.13297	100.0
229.00960	0.9
229.14632	0.8
229.94101	0.7
249.14873	0.9
255.69502	0.8
267.15927	42.6
285.16974	100.0
286.17331	1.2
307.65479	0.8
349.21484	0.8
355.17584	0.8
367.22763	3.9
385.23764	4.7
403.24860	1.7
433.25906	1.6
441.26041	1.7
459.21265	1.5
459.27444	26.0
477.28497	31.7
486.19321	0.8
495.29556	88.0
496.30084	1.7
536.97137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18756	0.1
52.05107	0.1
55.05504	0.6
55.21753	0.2
56.05019	0.4
57.03439	0.2
57.78136	0.1
58.06634	0.5
59.07383	0.2
60.08168	5.4
60.76554	0.1
67.05511	1.4
69.03403	0.2
69.07077	0.7
69.16872	0.8
69.17297	0.7
71.04993	0.3
71.07376	2.5
71.68090	0.1
79.05501	0.8
81.03407	0.4
81.07050	1.3
83.04977	0.3
83.08636	0.4
85.06535	0.2
86.09709	27.9
90.60519	0.2
91.05484	1.2
93.07048	1.0
95.04962	0.2
95.08631	0.9
95.09155	0.2
97.06533	0.2
97.10179	0.1
98.98456	2.5
104.10741	2.4
105.07040	0.9
107.04951	0.4
107.08598	0.5
108.08950	0.2
109.10143	0.7
116.64018	0.1
116.95879	0.1
117.07080	0.2
119.08602	0.7
121.10142	0.5
123.08095	0.1
125.00011	18.8
127.26978	0.1
131.08568	0.3
133.10094	0.7
135.11655	0.3
145.10146	0.4
147.11731	0.3
149.13219	0.2
152.05716	0.6
161.13315	0.2
163.11201	0.4
184.07347	100.0
185.07727	0.5
227.12822	0.4
253.14532	0.3
275.20123	0.3
291.19476	0.2
349.23569	0.2
436.21838	0.2
496.34674	0.2
504.34473	0.2
505.92477	0.2
520.36902	1.0
521.37720	0.2
639.41193	0.2
642.25061	0.2
692.45001	8.9
693.24359	0.2
693.44788	0.2
722.15900	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	693.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69524	0.8
53.03934	1.1
55.01874	1.2
65.03942	1.7
67.05493	2.9
69.03408	1.0
69.36765	6.4
70.06591	1.0
79.05486	1.5
81.05788	1.0
81.07040	1.7
82.06577	1.5
86.09711	1.5
91.05505	4.3
93.05746	1.3
93.07064	1.5
94.06589	5.8
95.04955	1.1
95.08600	1.2
96.08128	2.7
97.02892	4.3
98.21492	1.8
100.11255	2.0
106.06582	1.2
108.04474	1.5
108.08118	12.7
109.02829	1.0
110.09702	1.3
114.09191	1.0
115.05489	1.0
117.05735	2.4
118.06544	4.2
120.08112	3.8
122.06010	7.1
123.06834	1.7
124.07597	19.0
132.08080	6.7
136.07584	78.6
138.09155	2.5
144.04477	1.6
144.08087	1.2
145.07610	1.7
146.05992	3.8
146.08427	1.3
147.04440	1.3
147.06772	1.1
148.07526	3.2
150.05490	2.6
152.07063	5.6
158.09630	2.0
159.09206	2.6
160.07596	18.2
162.05498	1.9
164.07076	41.4
166.08681	4.5
167.07248	0.9
168.06528	1.2
168.08078	2.2
169.07526	2.5
169.08887	1.5
170.08359	1.6
171.09145	1.5
172.03929	8.4
173.10732	2.7
174.09172	1.5
181.08861	8.5
182.09720	5.0
183.09135	4.6
183.10551	2.2
184.09906	11.3
184.11330	1.6
185.10699	1.5
186.09196	1.3
187.08701	8.2
187.12372	1.0
188.09425	1.8
190.04999	1.7
196.11273	10.1
197.10721	7.3
198.09377	1.7
198.11501	7.8
199.08678	5.7
199.12308	21.9
201.10246	3.7
202.08682	1.2
204.06564	12.4
209.10803	0.9
210.09227	1.0
211.08662	6.9
211.12242	2.8
212.09402	4.6
212.10884	2.9
213.06610	1.3
213.10371	7.5
213.13860	9.4
214.12610	1.0
215.08217	1.1
215.11795	2.0
217.09688	1.4
219.11253	1.9
223.12268	2.5
224.07285	1.0
224.10777	13.7
225.10197	13.4
226.10957	10.9
227.08182	6.7
227.11781	13.6
229.09766	2.7
237.10156	1.5
238.11057	1.8
239.08199	3.9
239.11812	6.3
240.08971	2.7
240.12579	5.9
241.06100	2.2
241.09729	9.1
241.13368	27.0
243.11398	2.3
245.09042	1.5
245.12894	2.8
251.11725	3.9
253.09651	4.2
254.10410	4.3
255.07617	1.1
255.08482	1.1
255.11282	10.9
256.11923	2.5
257.09171	2.3
257.12842	2.5
259.10800	2.7
259.14496	4.3
265.09845	1.0
267.11356	6.0
268.12064	1.4
268.74252	0.9
269.09534	3.1
269.12854	70.0
270.13147	1.5
271.10785	3.1
272.11417	1.3
273.12320	3.4
279.11288	1.1
283.10815	10.7
284.11472	1.0
285.12320	11.0
287.13910	100.0
288.14279	1.4
295.10709	2.3
297.09033	1.9
297.12314	13.0
299.10040	1.2
300.11130	1.5
301.11856	7.5
303.13522	1.0
311.10281	7.4
313.11917	5.8
315.13406	30.8
317.11176	1.2
319.12949	7.7
322.11780	1.1
325.11884	2.6
329.11331	21.6
335.12479	4.8
336.13052	2.1
339.09772	2.0
340.25842	1.2
340.76236	1.3
341.11368	2.5
357.10791	16.3
357.14688	1.3
361.13953	21.4
373.13910	4.4
375.11887	1.4
380.12436	1.5
389.13477	27.8
390.13901	1.2
418.16818	1.0
465.88742	1.0
467.16617	1.3
468.17703	0.9
480.17410	1.9
492.17545	1.1
510.18915	1.2
524.20801	1.3
539.17371	0.9
590.00397	1.0
597.23273	1.8
599.24609	4.8
607.21375	1.1
615.24255	2.0
617.25446	1.3
625.22870	15.1
630.23279	1.8
643.24042	31.8
644.24017	1.1
657.25336	11.0
661.24963	6.4
675.26666	12.0
686.30493	1.1
693.49371	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	693.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01854	0.7
56.59087	0.7
65.03930	1.6
67.05495	2.5
69.03418	1.2
69.07061	0.8
69.58071	3.5
69.58486	1.6
70.06588	1.3
70.55869	0.6
79.05477	1.1
81.03414	0.8
81.07069	0.9
82.06580	1.4
88.70922	0.7
91.05502	3.6
93.05775	1.0
93.07053	1.5
94.06574	4.6
95.04964	1.7
96.08118	2.6
97.02895	3.4
106.06559	2.3
108.04461	2.0
108.08131	13.3
110.06037	0.8
117.05746	3.3
118.06561	5.4
119.04971	0.7
119.07345	0.9
120.08092	2.1
122.06043	7.2
123.06768	2.0
124.07598	18.6
130.06541	1.2
131.07292	0.9
132.08087	5.0
136.07585	76.7
138.09135	1.9
146.05994	2.6
146.09692	0.8
147.04373	1.0
148.07571	2.3
150.05466	1.2
152.07071	5.3
156.08109	0.9
157.08842	0.8
158.09630	1.3
159.09166	1.5
160.07584	19.0
164.07074	40.8
166.08670	1.3
167.07294	1.9
168.08099	2.0
169.07588	2.2
169.08871	1.0
170.08374	2.5
172.11267	0.8
173.10776	3.1
174.09236	1.2
180.08096	1.4
181.08871	9.3
182.08292	0.8
182.09680	5.1
183.09152	6.6
183.10440	0.8
184.07504	0.9
184.09921	12.1
184.11227	1.2
185.07140	1.3
185.10725	1.6
186.09206	1.1
186.12881	0.9
187.08672	7.1
188.09465	2.1
196.09824	1.0
196.11278	11.6
197.10715	8.1
198.07674	1.2
198.09558	1.5
198.11501	10.0
199.08653	6.4
199.12311	19.5
201.10280	3.7
209.08392	1.3
210.09033	1.1
210.14948	1.0
211.08673	7.8
211.12306	2.6
212.09114	6.9
212.11069	1.6
212.12711	1.4
213.06682	1.1
213.10245	9.2
213.13841	10.0
215.11870	1.5
217.09746	1.4
219.11357	1.5
223.12305	2.8
224.08815	1.2
224.10773	15.8
225.10214	12.4
226.10948	10.6
227.08182	7.7
227.11763	13.3
228.08902	1.7
228.12421	0.9
229.09744	1.8
237.10252	1.4
239.08177	2.6
239.11789	7.0
240.08974	2.9
240.12552	6.2
241.06033	1.7
241.09746	8.8
241.13380	26.2
242.13829	1.2
243.11362	1.3
245.09288	2.0
245.12869	3.2
251.11815	2.7
252.10213	1.5
253.09758	3.6
254.10440	4.4
255.07593	0.9
255.08487	0.9
255.11337	12.3
256.11899	3.0
257.09244	2.4
257.12842	3.4
259.11514	0.6
259.14441	4.7
265.09741	1.0
267.11328	7.5
269.09531	2.5
269.12860	68.4
270.10208	1.0
270.13242	1.3
271.10754	2.0
273.12302	2.6
283.10770	10.2
285.09399	1.4
285.12360	11.9
287.13904	100.0
288.14166	2.3
293.08786	0.7
295.10770	2.9
297.09103	1.6
297.12326	8.9
301.11871	3.1
301.48157	0.8
303.13504	1.1
305.14813	1.5
306.12442	1.0
311.10257	9.4
313.11829	5.8
315.13397	28.9
316.13971	0.8
320.13824	0.8
322.11844	2.0
323.09195	0.8
329.11316	22.7
329.15057	1.6
333.14511	1.7
339.09738	2.6
341.11218	2.0
345.14868	0.8
357.10791	21.4
361.13959	16.4
371.12607	2.0
373.14001	4.9
375.11819	1.5
389.13455	26.6
390.13889	1.1
408.15332	0.9
467.16788	0.9
480.17679	1.0
488.35629	0.7
528.19928	2.2
531.06317	0.8
581.23975	1.4
597.23621	2.3
599.25110	4.2
615.24451	3.3
617.25739	1.1
625.22968	13.4
630.22693	1.1
643.23999	30.2
643.34857	1.4
644.24023	1.4
657.25342	5.0
661.25153	8.3
675.26495	10.7
693.28040	4.0
693.49243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01863	1.6
58.44383	0.6
63.52414	0.5
65.03941	0.9
67.05492	2.3
70.06061	2.3
70.06483	1.1
73.68081	0.5
79.05481	1.2
79.55149	0.5
80.05035	0.7
81.03412	0.9
81.07039	1.1
84.08119	0.6
91.05481	2.7
93.05785	1.4
93.07026	2.1
94.06584	3.5
95.04974	1.1
96.08114	1.6
97.02914	3.4
106.06551	1.0
108.04465	0.8
108.08124	11.5
117.05750	1.9
118.06565	4.8
119.07326	0.8
120.08092	2.0
122.06024	6.4
123.06828	1.6
124.07600	16.7
126.05481	0.8
131.07283	1.1
132.08119	4.8
134.06021	1.0
136.07587	72.4
138.09158	0.8
144.08087	0.8
146.06001	2.7
146.08456	1.2
146.09598	1.5
148.07588	1.1
148.56702	0.6
149.07129	0.7
150.05507	1.3
152.07063	5.5
157.08884	0.7
159.09135	0.8
160.07593	16.5
161.07092	1.2
164.07074	36.3
167.07280	1.8
168.08121	1.2
169.07585	1.4
169.08859	0.9
170.08401	2.1
170.09682	0.9
171.09157	1.3
172.11284	0.7
173.07144	1.1
173.10794	2.4
174.07797	0.8
174.09184	1.2
180.08061	1.4
181.08896	8.4
182.09697	4.9
183.09151	5.4
183.10497	0.7
184.07532	1.0
184.09927	11.3
184.11325	1.4
185.07059	1.2
185.10733	1.7
187.08653	6.5
188.07118	0.6
188.09450	2.0
195.09003	1.0
195.10573	0.9
196.09579	0.6
196.11252	9.2
197.08972	0.9
197.10722	6.7
198.07785	1.1
198.11517	9.1
199.08673	4.3
199.12314	18.8
201.10207	3.9
202.08632	1.5
209.08411	1.2
209.10672	0.7
210.09177	1.0
211.08636	5.9
211.12306	1.0
212.09213	5.0
212.11090	1.3
212.12996	1.0
213.10245	6.2
213.13846	7.8
214.07219	0.6
215.08139	0.7
215.11836	2.0
217.09764	1.2
219.11279	0.9
223.12302	2.7
224.10773	13.2
225.06682	0.7
225.10178	10.1
226.10982	10.1
227.08269	4.6
227.11792	12.5
228.08936	1.0
229.09639	1.4
229.13298	0.8
237.10187	1.0
239.08189	2.1
239.11758	4.8
240.08949	2.3
240.12563	5.5
241.06184	1.2
241.09715	8.9
241.13368	24.8
243.11226	0.9
245.09241	1.2
245.12871	3.3
251.11821	2.4
253.09694	3.2
254.10469	4.3
255.07623	0.6
255.08505	0.8
255.11310	11.3
256.11804	2.5
257.09320	1.3
257.12872	2.5
259.10742	1.2
259.14395	4.1
265.09625	1.3
267.11343	4.5
268.12109	0.9
269.09549	2.5
269.12866	68.2
271.10757	1.0
273.12329	2.0
281.09125	0.7
283.07596	0.7
283.10721	10.3
285.12372	8.2
287.13910	100.0
288.14346	1.4
295.10675	2.1
297.09000	1.0
297.12323	9.5
299.10349	1.0
301.11908	4.4
305.14957	1.6
306.12689	1.1
311.10236	6.8
313.11707	5.0
315.13400	25.6
322.11926	1.9
325.11868	1.0
329.11353	21.8
330.11908	0.9
333.14441	1.2
339.09720	1.8
341.11255	1.2
357.10828	16.7
361.13940	17.5
371.12485	1.3
373.14127	3.2
375.11938	1.0
380.12585	1.7
389.13455	27.4
395.15002	0.8
467.16794	0.9
480.17920	1.3
581.24017	0.9
597.23450	1.9
599.25043	3.4
607.22351	0.9
614.85901	0.7
615.24139	2.3
617.26428	0.9
625.22870	11.8
630.22943	1.1
643.24017	26.8
644.24396	1.1
657.25720	6.6
661.25507	3.2
675.26678	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	693.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08856	1.7
55.01866	4.7
55.05518	14.7
57.03434	8.3
61.02908	3.8
67.05509	24.1
69.03422	3.7
69.07072	13.0
71.04986	2.7
71.08630	9.8
71.52982	2.7
73.02919	2.0
79.05495	23.4
81.03446	10.1
81.07066	30.2
83.04971	5.6
83.08644	10.0
85.02892	7.6
85.06500	1.8
91.03941	2.4
91.05496	21.8
92.56788	1.8
93.07047	32.8
95.04978	7.5
95.08613	23.4
97.02888	7.2
97.06566	8.6
97.10131	3.2
99.04456	2.0
99.08085	6.7
103.03951	2.4
105.07032	16.6
107.04947	5.8
107.08616	17.8
109.06521	2.5
109.10165	11.6
111.08080	3.0
113.09631	2.0
117.03469	1.8
117.07021	5.5
119.08599	16.4
121.06503	2.6
121.10164	14.1
123.08060	3.4
123.11713	4.0
124.50100	1.9
127.03918	3.1
129.06999	4.2
131.08580	9.3
133.10155	10.3
135.11731	13.1
139.11125	2.0
143.08574	2.7
145.10130	6.1
147.08047	2.0
147.11699	9.8
149.13272	6.9
151.11188	5.1
157.10162	2.8
159.11690	3.8
161.13297	8.6
163.11156	4.9
165.12801	2.7
171.11658	2.7
171.70213	1.8
173.13199	2.4
175.14850	2.0
177.05521	2.3
177.12787	2.2
179.14322	14.4
184.07384	7.1
199.14903	3.6
229.14291	1.9
241.19618	2.7
259.20523	9.0
266.04718	1.8
267.15842	2.9
268.16174	3.7
269.17532	2.1
277.21655	23.4
333.24265	4.0
351.25302	100.0
352.25632	3.0
369.26346	6.5
393.26187	2.2
459.27289	4.5
460.27502	1.9
477.28409	6.4
478.28857	6.6
495.29333	6.0
496.30157	4.3
513.30511	22.6
514.16931	2.7
515.17505	3.0
693.25208	28.7
693.36066	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01863	0.5
55.05513	2.5
55.40849	0.5
57.03428	0.7
67.03651	0.5
67.05501	4.9
69.07072	2.6
69.26491	2.2
69.26920	2.4
71.04996	0.6
71.08643	1.0
79.05484	4.7
81.03407	1.3
81.07057	5.3
83.04980	0.8
83.08620	1.5
83.36608	0.6
86.09708	1.3
91.05486	3.3
93.07046	3.1
95.04990	1.3
95.08594	2.5
97.06512	0.9
97.10173	1.2
98.98405	0.5
105.07029	2.0
107.04953	0.7
107.08596	2.7
109.10188	0.8
111.08113	0.6
117.07003	0.7
119.08593	1.5
121.06490	0.8
121.10159	1.4
123.11695	0.7
125.00024	1.2
125.09663	1.0
128.12219	0.6
131.08554	0.8
133.10136	1.8
134.66066	0.5
135.08102	0.6
135.11716	1.2
143.25369	0.5
145.10117	0.8
147.11731	0.9
149.09660	0.7
149.13258	0.9
150.54851	0.5
159.11780	0.7
161.13287	0.6
163.11157	0.6
175.11099	0.6
184.07370	3.7
227.12683	0.7
242.35144	0.5
275.20102	1.1
291.03592	0.6
291.19595	2.0
293.21103	6.1
349.23526	0.6
367.24875	1.4
400.17322	0.9
401.17548	0.8
404.20792	0.5
412.17026	0.8
412.65445	0.7
413.17807	1.4
414.18567	1.0
415.19266	4.6
416.19666	0.7
427.19034	2.7
428.20059	1.5
429.20834	7.6
430.21744	3.8
431.22131	0.6
433.23868	0.7
441.21069	1.5
442.21591	2.2
443.22855	3.2
444.23306	3.1
457.24738	4.6
458.25320	1.2
459.21100	3.5
460.22397	0.9
461.23526	0.7
470.21109	1.0
472.22635	2.4
475.24951	1.3
485.23578	18.5
486.19861	4.1
487.24969	2.1
489.22772	1.8
497.23575	1.5
499.21292	0.8
500.22220	2.3
503.24548	3.4
513.23059	2.2
515.24445	14.3
522.38373	0.8
531.23969	30.0
532.24481	1.6
541.22504	1.6
559.23334	10.4
559.36615	1.5
561.37762	1.8
591.26056	100.0
592.26337	5.3
641.43903	1.0
694.44958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.7
53.33096	1.7
55.01877	10.9
55.05270	2.7
55.05515	33.7
57.03442	11.1
57.07073	3.7
60.08178	3.0
65.03933	5.0
67.05507	82.3
69.03424	5.2
69.07072	48.4
69.16625	16.2
71.01358	1.7
71.04976	7.0
79.05495	73.4
81.03419	9.8
81.07058	100.0
82.07375	1.7
83.04987	15.4
83.08624	18.3
85.06542	4.6
86.09703	13.8
91.05483	67.4
92.05819	1.6
93.07047	73.5
95.04984	14.4
95.08613	49.5
97.06532	18.4
97.10185	11.0
98.21574	3.3
98.98450	3.0
99.08055	3.5
103.05473	1.7
104.10746	2.3
105.04559	2.3
105.07032	58.5
107.04956	9.1
107.07880	2.6
107.08596	45.2
109.06534	11.2
109.10162	21.2
111.08064	7.4
112.09748	1.5
115.05422	2.2
116.06233	1.8
116.07059	1.5
117.06245	1.8
117.07034	24.4
119.08585	39.3
119.65257	1.8
121.06512	5.2
121.10142	23.2
123.08061	7.6
123.11723	7.0
125.00015	12.0
125.09656	8.5
128.06187	4.5
129.07005	11.8
130.07785	2.1
131.08577	30.7
133.06549	2.7
133.10133	34.3
135.08055	8.1
135.11705	19.7
137.09601	4.9
139.11140	2.5
141.06979	3.6
142.07751	2.2
143.08556	8.8
145.10118	22.8
147.08051	3.7
147.11688	18.9
149.09636	13.9
149.13249	15.6
151.11197	3.5
155.08569	5.3
157.10139	7.7
159.11685	22.8
161.09621	3.2
161.13208	8.0
163.11160	12.8
163.14799	1.9
165.12730	3.1
167.08617	2.1
169.10149	4.7
171.11652	7.4
173.11868	3.0
173.13264	10.9
175.11214	1.9
177.12775	5.3
179.14313	5.5
181.10190	2.8
181.12128	2.5
183.11705	5.3
184.07341	47.3
185.13219	3.5
187.11272	1.9
187.14775	3.1
189.11194	3.4
189.12717	2.4
191.14308	2.1
193.12234	2.2
195.11865	3.3
195.13794	8.6
197.13251	6.3
199.14970	2.4
207.13791	1.7
209.13277	2.1
211.14783	2.0
213.12727	2.2
215.14360	2.5
215.17865	1.8
227.12648	7.9
229.19452	2.9
231.17447	2.1
237.16301	1.6
239.18025	4.4
247.20570	3.6
251.16370	2.3
253.14500	2.2
255.15866	15.8
257.19040	15.0
267.15985	5.1
269.17514	31.0
273.18439	2.9
275.20090	53.4
291.19562	2.9
293.20993	4.5
321.24265	2.4
331.22681	3.6
347.22357	1.7
349.23746	33.2
367.24667	5.8
433.29550	2.2
435.27301	2.6
445.29382	1.9
449.28961	18.1
451.32120	3.3
461.29654	1.8
463.30444	18.2
479.30490	1.7
504.37198	2.5
525.35773	3.4
529.35132	6.2
543.36755	24.0
561.37732	6.1
623.42712	3.6
641.44012	2.6
694.28827	2.5
694.46045	4.4
703.84814	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	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
67.05524	0.2
69.03416	0.2
69.07042	0.2
70.06586	0.3
70.91496	0.5
70.91841	0.2
71.49590	0.2
81.03400	0.2
83.07191	0.2
94.06563	0.3
95.04942	0.5
98.06062	0.2
104.20308	0.2
108.04495	3.1
108.08081	0.3
108.24163	0.2
122.05997	0.9
136.07550	1.1
138.05484	0.7
140.07094	1.3
142.08655	0.3
146.05998	1.5
148.03894	0.4
148.07571	0.8
150.05479	0.5
164.07071	0.7
166.04962	0.9
168.06583	4.1
168.07996	0.5
174.05533	1.4
177.05363	0.2
194.09676	0.3
196.11334	1.0
197.10590	0.3
198.07794	0.4
199.08656	1.7
204.06563	0.7
206.08105	1.9
209.08238	0.2
210.07735	0.3
210.11221	0.3
211.08658	5.5
211.12073	1.0
212.09302	1.3
213.10204	2.2
214.11014	0.4
221.10750	1.0
222.09189	1.3
223.08652	1.0
223.12157	0.4
224.10680	1.7
225.06714	0.2
225.10201	5.1
226.07240	0.6
226.11002	0.9
227.08174	1.8
227.11771	0.5
237.10223	0.4
239.08167	1.1
239.11789	9.1
240.08963	1.0
240.12514	0.7
241.09712	2.9
241.13416	1.5
242.10527	1.3
249.10243	1.0
250.08591	1.4
251.08154	1.3
251.11873	0.5
252.09087	1.7
253.01602	0.2
253.06915	0.3
253.09729	5.2
254.10573	1.0
255.11255	0.9
256.12094	0.3
257.12894	1.0
259.14404	0.4
267.11301	12.2
268.09564	0.3
268.12158	0.5
269.09241	0.3
269.12823	1.7
277.09732	0.3
278.08142	0.4
280.08548	0.3
281.09183	0.8
283.10684	0.6
284.11615	0.6
285.12378	1.9
287.13879	0.7
295.10791	7.0
296.09076	0.4
297.12512	1.3
301.11661	0.4
303.13290	0.7
305.14926	2.0
313.11832	40.2
314.12302	1.1
315.13336	0.5
323.10269	2.2
327.13416	0.5
341.11334	18.8
342.12094	3.4
343.12643	0.3
355.12946	2.6
359.12439	2.0
373.13965	100.0
374.14365	1.9
375.15656	0.5
376.12247	0.2
627.24719	1.1
645.25732	2.2
659.27057	1.1
663.26898	0.5
677.28418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
55.01868	0.5
55.05512	0.8
57.03448	1.3
61.02934	2.4
65.15214	0.3
67.05518	2.2
69.03444	2.1
69.07074	0.8
69.84331	1.5
70.06602	0.3
71.01352	0.4
71.05003	0.6
73.02927	2.4
79.05504	2.7
81.03432	3.3
81.07076	2.9
83.04988	1.0
83.08630	1.0
85.02918	4.5
86.09711	0.4
91.03976	2.2
91.05489	2.3
92.24582	0.3
93.07063	2.7
95.04959	1.7
95.08626	2.1
97.02905	3.1
97.06546	1.1
99.04478	0.4
101.02374	1.3
103.03930	0.4
105.07036	2.0
107.04991	0.6
107.08602	1.8
109.02901	0.6
109.06572	0.4
109.10174	0.9
111.04495	0.3
111.08111	0.7
117.07045	0.6
119.08610	1.9
121.10138	1.3
123.08113	0.5
125.00038	0.4
127.03958	1.1
127.27704	0.3
129.07040	0.5
131.08600	1.2
133.10167	0.9
135.11700	2.2
144.51556	0.3
145.10132	1.3
147.08051	0.4
147.11739	1.0
149.09650	0.6
157.10156	0.8
163.03986	0.3
163.11206	4.0
165.09299	0.5
175.11214	0.8
177.05542	0.7
178.05951	0.3
181.12244	0.6
184.07431	1.4
185.04282	0.4
193.10687	0.3
193.12299	1.5
200.52745	0.3
203.05420	0.4
209.11990	0.3
211.13362	0.4
219.09982	0.6
227.12801	3.1
243.08470	2.1
249.11005	7.6
251.12674	0.6
258.13504	0.3
305.13620	1.6
307.15250	0.5
467.18988	8.7
469.20493	8.6
515.26294	0.3
533.27563	0.4
695.32532	100.0
696.32904	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	695.3248
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03939	0.8
55.01860	0.6
55.05500	1.0
57.03442	2.0
59.05009	0.2
61.02927	3.8
65.28582	0.2
67.05505	2.5
69.03436	2.4
69.07062	0.4
71.01350	0.3
71.04985	0.6
71.06257	0.4
73.02916	3.0
79.05490	2.3
81.03416	4.5
81.07056	2.7
82.07399	0.3
83.01324	0.6
83.04976	1.1
83.08633	1.5
85.02902	5.5
85.03379	0.4
86.09716	0.6
87.04438	0.3
91.03963	2.9
91.05472	2.7
93.07036	2.5
95.04965	1.4
95.08603	1.4
97.02888	4.0
97.06534	0.7
99.04453	0.8
101.02395	1.7
105.07042	2.0
107.04964	0.8
107.08614	1.1
109.02885	0.7
109.06550	0.7
109.10168	0.6
111.04460	0.5
111.08042	0.5
115.03945	0.5
117.07036	0.6
119.08566	1.8
121.10150	0.9
123.08091	0.5
125.00071	0.4
127.03938	1.6
129.07027	0.7
131.08556	0.9
133.10150	0.6
135.11697	1.0
137.09651	0.4
145.10097	1.3
147.11713	0.8
149.09619	0.4
157.10117	0.9
163.11186	1.8
175.11217	0.7
181.12254	0.6
183.36627	0.2
184.07343	1.5
185.04251	0.5
193.12274	1.6
203.05249	0.2
209.11821	0.4
211.13298	0.5
220.79382	0.3
243.08397	1.8
249.11073	0.7
251.12587	0.7
267.15891	0.5
269.17535	0.4
270.17831	0.5
283.15479	0.4
305.13657	0.5
307.15289	0.3
461.29523	0.3
462.29449	1.0
467.12387	0.5
467.18860	7.0
469.20450	6.1
498.30643	0.5
533.27423	0.5
695.32428	100.0
696.32751	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	696.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58060	1.3
53.03945	7.5
55.01865	3.5
55.05271	2.1
55.05512	22.3
57.03431	4.8
57.07085	3.6
59.04984	3.2
59.86663	1.4
60.08149	1.7
61.02913	3.0
67.05239	1.4
67.05507	14.4
68.86958	1.1
69.03089	1.9
69.03434	25.2
69.07069	61.9
69.92531	6.3
71.01350	1.8
71.04990	8.7
73.02917	3.3
75.33768	1.3
76.67813	1.4
79.05494	15.7
81.03419	26.2
81.07056	54.2
83.04975	13.1
83.08628	6.7
84.04508	1.5
85.02903	63.6
85.06528	1.9
86.09707	5.1
87.04443	3.2
87.11014	1.5
91.05484	13.1
93.07049	61.7
95.04948	14.3
95.08604	43.4
97.02890	34.9
97.06530	13.6
97.10168	49.0
98.20727	1.5
99.04456	50.5
99.08071	3.1
101.05987	2.1
103.03941	68.5
105.07039	18.9
107.04936	2.2
107.08591	37.8
109.02885	29.1
109.06525	10.5
109.10165	26.3
111.04467	1.9
111.08076	4.4
111.11724	20.6
113.09603	1.8
115.11180	2.3
117.07040	2.7
119.08576	22.2
121.06489	4.0
121.10146	77.8
123.08044	4.3
123.11691	16.5
124.99952	3.6
125.09592	4.4
127.03922	100.0
129.07034	2.7
131.07713	1.3
131.08530	8.3
133.10133	18.6
135.08054	9.8
135.11696	31.8
137.05923	1.7
137.09608	10.6
139.10107	2.4
139.11180	49.6
142.07697	1.3
143.08557	4.0
145.04961	33.6
145.10143	17.8
147.08052	3.5
147.11684	9.2
149.09650	9.5
149.13248	5.9
151.11179	14.9
153.12698	5.8
157.10196	6.8
157.12248	24.2
159.11697	14.6
161.09619	5.9
161.13226	4.4
163.03896	1.5
163.06032	16.9
163.11198	12.9
163.14816	2.7
165.12784	2.5
167.10686	10.8
169.05029	1.6
171.11671	2.0
171.13809	5.2
173.13266	6.1
175.11218	4.9
175.14783	3.1
177.12724	3.8
179.10683	4.9
181.12221	4.3
184.07332	16.1
185.11795	1.5
185.13263	3.2
187.06007	5.3
187.13295	2.4
187.14796	2.2
189.12743	2.6
193.12207	1.4
195.13727	2.0
199.13164	1.7
199.14836	2.3
203.12787	11.2
203.14363	2.6
205.07166	2.0
207.13710	2.0
209.15375	2.6
217.14252	2.3
219.17407	1.8
221.15361	1.9
225.14796	2.7
229.19487	3.3
235.17001	1.5
245.22748	2.0
247.16801	2.0
247.20631	1.8
253.06952	2.2
255.21109	5.0
265.19479	2.3
271.08112	6.1
273.22104	20.3
275.20078	10.8
283.20383	6.6
289.09177	3.8
289.21695	2.8
291.19913	1.9
291.23190	35.3
293.21106	47.7
301.21609	47.6
301.25085	2.4
302.22034	1.7
307.10089	5.7
307.22598	7.5
311.22360	2.2
319.22672	96.0
320.23206	1.8
325.23688	8.8
327.74548	1.3
337.23740	95.6
338.24167	2.5
355.24826	13.3
373.25778	1.7
419.24408	2.5
427.25342	1.6
445.25711	4.1
458.62656	1.3
463.26810	6.1
481.27777	6.6
523.29187	1.7
589.29816	1.6
607.30902	4.7
625.32184	3.8
643.33118	2.0
660.34418	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
54.38245	0.9
55.05515	11.2
55.54185	1.0
57.03439	4.7
57.07077	7.3
60.08147	1.6
60.31081	0.9
61.02929	23.3
62.83928	0.9
67.05507	47.9
69.03424	2.6
69.07067	18.4
69.89674	1.4
69.89950	5.1
71.04993	1.9
71.08630	5.0
73.02914	6.9
79.05497	15.6
81.03403	1.4
81.07055	61.4
83.04996	1.8
83.08624	15.9
84.70477	0.8
85.02911	23.3
85.06522	2.2
85.10197	2.4
86.09710	8.9
91.03957	19.8
91.05492	11.6
93.07046	16.7
95.04964	1.5
95.08611	60.7
97.02368	1.4
97.02901	12.9
97.06524	4.0
97.10166	10.9
98.20814	1.0
99.04472	1.3
99.08111	3.0
105.07039	7.0
107.08604	11.7
109.10158	28.0
111.08086	3.3
111.11714	2.6
113.09668	1.9
119.08593	9.5
121.10149	20.5
123.11710	18.0
124.99973	6.4
127.03918	7.6
133.10139	12.6
135.11708	9.9
137.13266	8.1
139.11134	1.3
141.12781	2.9
145.04958	11.4
147.11699	10.2
149.13272	9.4
151.11238	1.3
151.14809	5.0
153.12735	0.9
155.14301	2.6
161.13249	10.8
163.06024	24.0
163.14818	8.3
165.16414	9.1
175.14824	9.3
177.16411	1.9
179.17970	7.0
181.16010	1.5
184.07339	34.8
189.16402	4.1
194.18483	0.9
203.17970	1.7
217.19510	1.0
245.22650	64.7
246.22855	1.1
255.64369	0.9
263.23709	100.0
264.23880	1.6
265.25287	3.1
281.24780	3.0
337.27365	41.7
338.27515	1.4
355.28424	15.7
449.08521	1.2
469.22479	1.1
569.67218	1.0
660.42401	2.9
675.72076	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.1
55.01872	6.0
55.05511	30.8
57.03439	14.1
57.07059	3.5
59.05001	2.5
65.03935	3.2
67.05511	100.0
69.03445	3.2
69.07059	23.1
69.35978	2.7
71.04988	6.5
71.08681	2.4
79.05080	3.5
79.05500	56.8
80.50314	2.7
81.03407	3.3
81.07066	65.0
83.04973	4.4
83.08613	13.8
85.06516	5.5
91.05486	59.5
93.06501	3.0
93.07055	54.4
95.04960	9.7
95.08620	42.9
97.06539	8.7
97.10147	10.3
99.08104	3.6
100.11351	2.7
101.94670	2.5
105.07037	57.7
107.08590	42.7
109.06510	6.5
109.10170	42.4
111.08018	3.5
117.04765	3.0
117.07037	23.5
119.08591	54.5
119.67183	2.5
121.06512	4.8
121.10146	25.9
123.08093	6.6
123.11745	6.4
125.09601	8.8
129.07024	14.1
131.08586	25.5
133.10146	33.2
135.08047	4.0
135.11678	20.2
137.09592	4.0
141.06955	3.5
142.07796	3.5
143.08566	13.1
144.09274	2.9
145.10117	23.9
147.11697	26.2
149.09634	7.0
149.13245	11.6
155.08531	4.0
157.10123	10.2
159.11705	21.8
161.13257	21.3
163.14845	3.9
167.08597	4.3
169.10170	9.6
171.11702	12.6
173.11702	11.4
173.13271	12.2
175.11183	4.6
175.14729	4.1
181.10172	5.6
183.11659	10.1
185.13210	13.4
187.14825	5.2
195.11731	4.3
197.13287	5.3
199.14787	7.9
201.16336	4.2
209.13266	3.6
213.16214	4.3
221.13287	3.3
223.14812	4.5
227.12842	15.1
229.14391	33.7
241.19501	18.0
257.19031	6.6
259.20572	46.1
262.14401	3.8
269.17496	4.9
275.20123	16.1
315.23227	7.3
321.21213	2.6
333.24280	40.0
335.25983	3.6
349.23764	7.8
367.24762	12.7
379.29877	4.1
487.34061	11.3
505.34918	15.7
513.35718	8.8
515.38324	5.9
527.37299	20.5
533.39331	3.4
545.38220	5.2
607.43689	26.7
625.44580	38.4
643.45691	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	696.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14032	0.3
53.03929	1.5
55.01849	0.5
55.05272	0.5
55.05510	6.3
56.05043	4.1
56.20699	0.4
57.03423	0.6
57.07074	2.6
58.06597	0.6
60.04525	2.1
61.02917	0.7
65.03934	0.7
67.05507	12.1
67.47227	0.3
68.05011	1.7
69.03419	1.6
69.07068	7.8
70.06595	2.3
71.08616	1.9
72.08150	2.5
74.57727	0.4
79.05491	9.7
80.05027	3.1
81.03404	1.0
81.05792	1.7
81.06593	0.8
81.07056	12.1
82.06123	0.5
82.06583	6.4
83.08218	0.4
83.08625	4.9
84.08132	0.9
85.02908	4.2
85.10147	0.8
86.06053	0.4
91.05482	9.0
93.05763	0.9
93.07043	10.1
94.06567	19.5
95.04955	1.3
95.06763	0.5
95.07353	8.5
95.08608	9.0
96.08129	6.0
97.02882	1.8
97.06535	0.4
97.10172	2.7
98.06025	0.5
105.07032	6.8
106.07413	0.4
107.08596	5.3
108.08113	3.7
109.10137	3.4
111.11706	0.8
119.08578	6.4
119.31116	0.4
121.08842	0.9
121.10139	5.5
122.09663	2.6
122.10469	0.5
123.08053	0.5
123.11697	1.7
124.49284	0.4
127.03946	0.8
132.31470	0.4
133.10109	3.0
135.10612	0.6
135.11678	3.2
136.11201	1.3
137.13246	0.5
146.53764	0.4
147.11681	1.0
149.13255	1.1
151.14801	0.5
161.13249	1.1
163.14824	0.9
171.67517	0.4
175.14807	0.4
193.19629	0.6
215.01826	0.4
219.20993	0.5
233.22644	2.7
234.22081	0.8
237.22263	0.4
245.22643	4.5
250.25290	6.0
254.24788	1.4
260.23712	0.6
262.25293	100.0
263.23386	0.6
263.25674	1.1
272.25833	6.0
280.26358	6.0
282.24402	0.5
312.25201	0.5
442.31741	0.9
504.47760	4.8
516.47766	34.0
517.47949	0.7
518.41571	0.6
518.49310	10.2
519.50262	0.5
534.48743	8.0
696.54071	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	697.161
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
53.03951	0.9
55.01877	1.0
56.92175	0.1
57.03199	0.2
57.03441	1.7
61.02932	0.5
65.03932	0.2
65.90633	0.2
68.99793	0.7
69.03427	4.1
70.06593	0.2
71.01359	0.2
71.04995	5.9
71.52211	0.3
73.02921	1.0
75.04470	0.3
80.19062	0.2
81.03424	5.1
83.01306	0.2
83.04980	0.5
85.02908	14.0
87.00828	3.1
91.03931	0.2
93.03402	0.2
95.04925	0.2
95.66618	0.2
97.02900	2.7
99.04448	1.9
100.01154	0.2
102.64273	0.2
103.03948	0.3
105.01856	1.9
109.02884	4.8
111.00790	0.5
111.04428	0.6
115.03919	0.2
117.01826	0.6
121.02850	0.5
127.03922	7.3
129.01848	0.7
129.05487	1.0
136.91193	0.2
137.02318	1.9
145.04965	3.2
147.02902	0.4
147.06505	0.3
149.02362	0.3
151.03918	0.2
153.01826	2.2
159.02890	3.1
159.04137	0.3
163.03931	0.3
164.59377	0.1
165.01837	1.7
166.08192	0.2
173.29276	0.2
181.04941	0.3
183.02908	0.5
183.04352	0.2
189.03960	0.2
195.02878	0.2
201.05482	0.7
213.03883	0.2
219.06343	0.2
229.04988	3.2
231.05014	1.6
247.06007	0.6
257.04434	2.1
262.92477	0.2
274.04819	0.6
285.03955	0.9
303.04990	100.0
304.05301	1.3
315.04922	0.3
345.06064	0.7
369.05908	0.2
413.08502	0.2
438.91257	0.2
449.10458	0.4
533.08923	0.2
551.10339	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	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70642	0.3
53.03955	0.5
55.01881	0.5
55.05515	0.9
56.39684	0.2
57.03434	1.6
61.02930	4.7
67.05509	2.4
69.03436	2.6
69.07059	0.8
69.79224	1.5
71.01352	0.3
71.04990	0.6
73.02920	3.3
79.05513	2.4
81.02947	0.2
81.03417	5.0
81.07065	2.8
83.04988	0.9
83.08641	1.8
85.02913	7.1
91.03964	2.6
91.05487	3.5
93.07056	1.8
95.04952	1.8
95.08630	1.6
97.02898	4.1
97.06561	0.4
97.80238	0.3
99.04478	1.2
101.02383	1.5
103.03973	0.4
105.07028	2.6
107.04953	0.8
107.08604	1.2
109.02892	0.8
109.06522	0.8
109.10201	0.8
111.08051	0.7
113.06013	0.4
115.03947	0.4
115.05460	0.4
119.08556	2.2
121.10184	1.3
123.08075	0.4
123.11747	0.8
125.09675	0.4
127.03922	2.2
129.07036	1.2
130.72202	0.3
131.08623	1.3
133.06491	0.3
133.10130	1.9
137.09689	0.4
143.08577	0.3
145.10216	0.4
147.04390	0.7
147.11705	2.4
149.09683	0.8
149.13365	0.3
157.10162	1.7
159.11728	0.4
160.92221	0.3
161.13287	0.5
163.11217	0.3
165.12769	0.4
166.61676	0.3
175.11211	1.5
184.07452	0.4
185.04134	0.3
185.13326	0.4
193.12268	2.9
201.07695	0.3
211.13354	1.0
213.16420	0.3
243.08377	2.3
243.40340	0.3
251.12523	1.9
269.22739	1.4
285.16986	0.7
307.15222	0.9
329.25052	0.4
344.22751	0.4
378.97763	0.3
469.20517	13.3
494.72134	0.3
535.29236	0.4
603.80249	0.3
658.43439	0.3
697.34082	100.0
698.34814	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	697.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.2
56.19110	0.3
57.03441	1.6
61.02934	3.2
67.05516	2.2
69.03430	2.3
69.07065	1.1
71.04994	0.8
72.75638	0.3
73.02927	2.8
79.05507	2.5
80.41553	0.3
81.03425	5.0
81.07059	2.1
83.04992	1.1
83.08629	1.7
83.32040	0.3
85.02914	5.4
86.09724	0.4
91.03965	1.7
91.05479	3.1
93.07044	1.5
95.04999	2.0
95.08624	1.4
96.57872	0.3
97.02895	2.6
97.06532	1.0
97.10171	0.5
97.49700	0.3
99.04459	0.9
101.02390	1.4
103.03984	0.3
104.10702	0.3
105.07015	2.1
107.04990	0.5
107.08605	1.0
109.02895	0.7
109.10178	0.6
111.04398	0.5
111.08090	1.0
119.08587	2.0
121.10175	1.2
123.08109	0.4
125.00095	0.4
127.03943	1.1
129.07025	0.8
131.08606	1.0
133.10158	1.2
137.09615	0.5
138.99194	0.4
143.10060	0.3
145.05038	0.3
145.10143	0.5
147.04419	0.4
147.11703	1.6
149.09679	1.1
157.10187	1.4
175.11266	1.4
184.07298	0.9
185.04227	0.5
193.12250	3.7
205.32657	0.3
211.13356	2.3
243.08414	2.5
251.12592	3.6
269.10724	0.5
296.28021	0.3
307.15259	1.2
349.16824	0.4
367.18121	1.0
369.07382	0.4
369.19623	0.7
385.19028	0.9
387.20590	0.4
416.52731	0.3
451.19574	0.9
469.20523	14.6
470.21030	0.5
487.21426	0.5
697.34039	100.0
698.34204	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69221	1.1
53.03947	5.5
55.01875	2.6
55.05266	2.3
55.05511	20.9
57.02316	1.4
57.03433	4.5
57.07062	5.8
59.04985	2.5
61.02917	2.1
65.03941	1.6
67.05502	19.9
69.03431	16.6
69.07070	44.7
71.04993	12.2
71.08633	1.2
71.52589	1.6
72.38669	1.5
73.02930	3.1
76.13107	1.4
79.05495	14.7
81.03425	15.6
81.07056	86.0
83.04989	8.4
83.08614	10.2
85.02906	34.7
85.06553	6.1
86.09692	1.6
87.04475	2.2
91.05479	10.8
93.06487	2.8
93.07048	47.9
95.04970	23.2
95.07993	2.8
95.08604	57.1
97.02889	17.7
97.06528	8.6
97.10172	26.5
99.04456	32.3
99.08096	4.8
103.03944	43.3
105.07038	21.7
107.08595	37.8
109.02885	15.6
109.06492	7.6
109.10159	47.2
111.04423	1.8
111.08092	9.9
111.11716	12.1
117.06976	2.2
119.07790	2.4
119.08577	20.2
119.09393	2.3
121.06525	2.3
121.10141	36.6
123.08070	3.7
123.11710	60.1
125.09629	4.4
127.03919	57.0
127.07561	2.2
131.08585	5.8
133.10150	14.6
135.11694	30.6
137.09622	3.2
137.13264	12.5
139.11185	24.2
141.12770	4.1
143.08546	1.6
145.04959	17.3
145.10135	12.3
147.11697	30.8
149.09628	3.6
149.13255	9.0
151.11179	6.5
152.05711	1.5
153.12737	15.7
157.10175	2.2
157.12234	14.0
159.11699	14.0
161.13242	11.7
163.03897	3.2
163.06006	10.6
163.11179	11.7
163.14825	4.5
165.12796	8.6
165.16438	1.4
169.12283	7.0
171.11707	2.4
171.13815	5.5
173.13245	6.0
175.14813	5.3
177.12691	3.8
179.14360	1.4
181.12230	3.3
181.15898	2.1
183.11554	1.9
183.13850	2.4
184.07323	5.0
185.11832	1.8
187.06046	4.4
187.13313	17.2
187.14876	3.1
189.16391	2.2
193.46768	1.4
197.13196	1.8
201.16417	2.7
203.12776	9.4
203.17880	1.5
205.15848	3.1
209.15393	2.6
213.16315	1.4
215.17908	2.1
217.14365	3.1
217.19614	1.8
223.17024	1.6
233.15352	2.2
237.18576	2.5
247.16954	1.5
251.16432	6.8
257.22668	5.3
265.17969	2.3
267.21115	1.9
269.17529	4.8
271.08185	3.2
273.22043	1.8
275.23682	16.3
277.21707	2.8
285.22159	8.4
289.09085	2.7
291.23178	15.8
293.24725	14.7
303.23181	100.0
304.23480	2.1
307.10284	3.9
309.24338	12.6
321.24246	79.1
327.25287	5.2
339.25269	45.0
357.26346	20.6
375.27304	3.9
382.30331	1.4
398.06213	1.6
413.22318	1.6
426.82913	1.4
447.27487	2.6
465.28409	5.5
483.29846	2.6
507.28979	1.6
525.30652	3.0
543.31586	3.1
591.31598	3.0
609.32611	4.4
627.33289	4.0
698.34302	3.5
698.48102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46303	1.2
54.26446	1.0
55.05513	28.6
57.03447	9.2
57.07075	14.1
61.02927	23.0
67.05505	37.3
69.03412	3.9
69.07068	49.1
70.57819	1.4
70.58173	3.8
71.04988	2.2
71.08640	12.5
73.02927	7.7
75.04493	1.5
79.05493	14.0
81.03413	1.8
81.07058	42.6
83.04952	1.5
83.08618	39.4
85.02440	2.0
85.02908	28.3
85.06537	1.6
85.10175	5.0
91.03954	25.1
91.05475	2.5
93.07043	22.9
95.08612	42.6
97.02901	12.3
97.06544	9.4
97.10166	29.0
99.04430	1.3
99.08090	2.7
107.08591	14.9
109.10151	23.3
111.08108	5.9
111.11724	9.2
113.09640	1.5
115.03951	1.2
115.07547	1.6
121.10146	43.6
123.11710	7.4
123.26235	1.1
125.09616	3.7
125.13278	2.3
127.03928	10.3
135.11700	29.7
136.06207	1.6
137.13309	2.9
139.11197	3.6
143.14223	1.5
145.04964	11.3
149.13271	12.4
151.14819	4.0
153.12755	2.8
163.06026	17.9
163.14821	4.3
165.16354	4.6
177.16365	3.3
178.95096	1.4
185.15379	1.1
185.45398	1.2
191.17877	2.0
195.17403	1.5
201.00076	1.1
205.19499	1.3
243.84996	1.2
247.24231	37.5
262.39087	1.2
265.25266	89.9
283.26318	21.1
339.28925	100.0
357.29996	72.7
416.33286	1.2
453.56949	1.3
501.33853	6.0
527.72528	1.3
685.47113	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.3
54.12254	3.3
55.01867	6.8
55.05516	37.1
57.03425	8.1
57.07062	7.5
65.03928	5.5
67.05507	98.3
69.07078	31.6
71.04996	7.2
71.08631	23.5
71.53907	3.5
74.16876	2.9
79.05495	60.9
81.03423	5.3
81.06599	5.7
81.07063	100.0
83.04984	19.1
83.08627	27.2
85.06541	5.8
91.05489	59.2
93.06481	5.8
93.07049	84.0
95.04971	15.6
95.08620	52.6
97.06514	19.2
97.10173	12.3
99.08103	24.6
99.45936	2.9
105.07035	38.0
107.04919	5.8
107.08617	40.4
109.06496	7.3
109.10154	22.4
111.08076	9.0
111.11694	3.9
117.07027	18.8
119.08587	25.6
119.15572	3.0
121.06548	4.3
121.10133	21.3
123.08062	5.9
123.11703	7.8
125.09608	7.6
125.86060	3.1
129.06989	9.1
131.08574	22.6
133.06627	3.5
133.10144	21.5
135.11707	18.0
137.09613	3.4
139.11201	6.0
143.08553	7.4
145.10141	12.5
147.08060	3.7
147.11647	11.5
149.13234	16.4
151.11203	20.4
155.08580	4.0
157.10124	5.1
159.11703	16.6
161.13269	13.2
163.11130	15.5
165.12711	4.7
169.10182	4.7
171.11674	5.8
173.11737	5.0
173.13214	3.7
177.12769	8.8
179.14305	7.1
185.13268	6.9
189.11108	6.0
195.13789	13.6
227.12755	14.3
231.21277	3.5
241.19485	6.4
251.16460	5.9
259.20648	8.9
269.17493	35.7
277.21658	34.1
295.22635	3.5
351.25287	40.8
355.26358	3.7
369.26733	4.6
439.27094	5.7
445.29617	5.1
453.33368	4.1
463.30585	50.5
471.35004	5.7
527.37347	7.1
545.38464	47.6
546.38141	4.0
563.39191	5.3
627.45959	5.6
698.42462	9.2
699.42706	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	699.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07718	0.6
55.05513	0.8
67.05495	1.9
79.05520	1.0
81.07047	1.4
91.05486	0.9
93.07075	0.8
95.04992	0.8
95.08593	1.4
105.07063	0.8
118.98669	0.6
124.40434	0.6
125.86209	0.7
132.60588	0.7
153.51657	0.7
186.22974	0.7
190.32912	0.6
209.10818	1.0
221.10799	1.5
223.12331	1.6
225.13959	1.9
228.05807	0.7
235.12376	0.9
237.10243	1.1
237.13936	1.6
251.11798	0.7
253.13513	0.9
265.09888	1.2
268.61685	0.7
295.14493	1.9
304.35587	0.7
374.15280	0.7
402.18750	0.7
415.15665	1.2
416.16602	0.9
417.17078	1.2
429.17044	1.5
431.18802	1.8
443.14532	1.1
445.20496	1.0
446.21429	0.9
449.19870	0.7
457.16306	1.4
458.17078	1.6
462.20828	1.1
471.21841	2.6
473.20041	3.6
474.20508	1.5
485.16406	0.9
487.21960	3.6
488.22101	3.5
499.21313	2.3
501.19287	5.5
502.19873	1.5
512.08954	0.7
515.20819	8.9
516.21576	8.9
517.22351	2.6
533.21808	3.1
543.20337	1.2
547.23285	3.6
551.25916	0.9
557.22089	0.9
575.22906	8.4
579.26270	1.0
607.25336	4.0
617.24359	1.4
635.25024	100.0
636.25311	5.0
649.26550	2.9
667.27795	7.0
699.30090	2.3
699.43848	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	701.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40796	1.0
55.05512	3.9
57.06093	1.0
57.07085	6.2
67.05512	8.6
69.03428	1.5
69.07079	1.9
69.21408	4.5
69.21838	5.6
71.08646	2.7
78.37167	1.1
79.05498	3.4
81.03440	1.5
81.07067	6.1
83.05013	1.5
83.08620	2.5
85.02913	1.6
85.10193	2.2
86.09705	2.0
91.05486	2.6
93.07075	2.0
95.08641	3.6
97.10203	1.9
98.21517	2.4
99.01141	1.2
105.07072	1.4
107.08632	2.2
109.10178	7.7
112.07736	1.0
120.08128	1.1
125.09656	1.4
126.38833	1.0
127.03936	1.5
132.08157	1.7
145.10213	1.2
146.77870	0.9
152.34674	1.0
182.72086	1.1
184.07404	4.1
189.11385	1.4
221.10753	1.2
223.12439	1.7
227.12909	2.1
232.09999	1.3
233.10808	1.1
237.10309	1.8
239.11905	2.6
239.15379	1.1
245.13446	1.0
249.10353	1.3
250.11133	1.5
251.11855	2.2
252.12491	1.4
253.13414	1.7
263.11816	2.1
265.13489	1.5
278.13040	1.3
288.11316	1.2
290.13043	1.7
313.27365	2.9
329.14697	1.4
332.13968	1.6
346.15662	1.5
367.15482	1.5
379.19327	1.8
381.17172	3.1
391.15851	2.5
393.17288	2.3
395.18933	3.5
396.19485	1.6
397.20377	5.1
403.15448	1.2
404.16251	2.4
405.17120	2.2
407.18973	1.4
409.20462	2.0
417.17444	1.4
419.14838	2.1
423.17667	2.3
425.19797	3.6
434.17297	1.6
437.19913	2.4
439.21521	1.6
447.18381	1.4
451.21500	4.3
453.23373	1.3
461.19983	3.4
462.16644	7.7
467.37439	10.2
475.17328	1.3
477.19928	1.5
479.20926	3.3
482.23410	7.1
483.24011	4.0
484.24710	2.2
489.19351	2.5
490.16052	1.4
493.22598	2.2
494.19223	8.4
498.26300	2.4
508.18152	1.4
510.22424	1.5
511.23569	8.6
512.24188	15.9
521.21851	3.6
522.18835	1.8
525.24982	2.4
526.25818	2.1
538.22504	1.9
539.22906	3.5
548.20508	2.6
549.21686	2.3
553.24542	3.7
554.24976	5.8
565.21313	1.3
567.22339	4.1
577.20770	7.2
581.24268	7.1
594.21039	1.7
595.22479	4.2
598.24487	4.0
599.24780	5.6
608.22754	6.2
609.23541	2.0
610.23749	1.6
613.17004	1.1
613.26392	6.5
623.25134	3.2
626.23737	14.1
627.24365	8.6
641.26050	21.7
651.24695	8.8
669.25586	48.9
670.26147	2.0
690.29578	1.3
701.28235	100.0
702.28632	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	701.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68060	0.6
69.26188	3.7
69.26601	1.1
79.05491	0.7
83.00174	0.6
95.08607	0.9
108.97140	0.6
152.56000	0.6
184.07365	0.8
185.91890	0.6
219.23753	0.6
237.13885	0.6
242.81396	0.6
261.14160	0.7
289.16708	0.8
341.73123	0.6
379.19153	1.0
393.20844	0.7
409.20398	1.7
423.21976	5.0
435.22055	1.4
436.22687	1.7
437.23474	2.7
438.24457	1.9
448.18863	0.8
451.21338	0.9
475.21765	1.4
480.21722	0.8
491.20853	2.0
492.22037	1.4
495.23486	0.8
507.23819	0.8
521.25531	1.1
523.27734	4.1
524.27997	1.1
539.26929	0.7
549.25250	1.3
550.26617	0.7
551.26544	2.2
553.24841	0.6
563.22986	0.8
565.11981	0.8
567.25861	0.8
577.25122	0.7
579.26410	3.8
589.24847	0.7
591.25348	0.7
592.27142	0.8
595.25885	1.5
605.24475	1.0
609.27472	1.0
611.28577	7.0
614.53796	0.7
637.26190	1.9
651.28088	6.3
655.27960	2.3
669.29169	19.3
670.29480	1.9
701.31805	100.0
702.31689	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	702.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.07084	6.0
58.06588	1.6
60.86121	0.7
65.03947	3.2
67.05497	0.8
70.06596	16.1
71.08626	2.3
71.53253	0.7
72.08149	0.9
76.52742	0.6
79.05482	1.0
86.09718	1.9
88.07633	18.3
102.09190	11.3
121.02895	1.3
132.10184	1.7
133.02841	1.0
139.03917	0.8
144.81447	0.7
146.11792	2.1
149.02361	53.1
149.03450	4.8
193.04970	26.2
212.23921	1.0
219.06699	0.8
225.05667	0.9
237.07613	4.2
243.53845	0.8
256.26370	38.0
267.65247	0.8
276.64975	0.7
297.03931	0.9
300.29056	6.3
305.47769	0.8
313.07083	1.4
341.06699	2.9
350.30756	0.8
359.07776	2.3
385.09149	9.4
403.10275	10.4
404.10837	0.7
418.90576	0.7
429.11819	18.5
430.11838	0.7
465.54391	0.8
473.14471	10.0
619.14362	0.7
640.34875	1.6
702.38489	100.0
703.39075	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	702.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04424	1.1
53.00304	1.1
53.03943	3.2
55.01857	1.4
55.05266	1.3
55.05511	12.6
55.78294	1.2
57.03439	11.2
57.07066	3.8
59.04993	4.1
61.02916	3.4
61.27174	1.1
65.03930	3.0
67.05507	100.0
68.05810	1.2
69.03420	5.8
69.06764	1.3
69.07069	10.7
69.35647	8.4
70.06574	2.7
71.05006	5.5
71.08617	1.2
73.02921	2.9
79.05495	28.0
81.03418	8.4
81.07059	28.5
83.04978	3.7
83.08623	9.0
85.02898	5.5
85.06538	4.0
86.09682	1.4
88.07633	2.7
91.03953	1.6
91.05482	40.3
92.05827	1.2
93.06483	1.9
93.07046	33.3
94.07376	1.9
94.47254	1.0
95.04987	5.3
95.08060	1.8
95.08614	23.3
96.08965	1.0
97.02883	3.6
97.06538	2.8
97.10176	3.2
98.21613	1.3
99.04475	1.3
99.08082	1.3
102.09153	3.2
105.04514	1.4
105.07034	36.1
106.07391	2.0
107.04924	3.0
107.08601	16.2
109.02888	1.2
109.06504	2.3
109.10160	79.3
110.10517	1.2
111.08069	4.8
115.05506	1.3
117.07017	11.5
119.08588	35.6
121.06490	1.9
121.10159	13.7
123.08059	2.5
123.11721	1.4
125.09624	2.1
127.03893	2.2
128.06161	2.0
129.05508	1.9
129.07022	9.3
131.08563	16.7
133.10129	22.9
134.10471	1.3
135.11687	12.7
137.09648	3.5
143.08557	5.8
145.10123	13.6
147.11690	28.4
148.12141	1.3
149.02345	9.4
149.09628	1.9
149.13275	6.0
155.08566	2.7
155.10623	4.3
157.10123	7.0
159.11705	12.7
161.13260	15.2
163.11235	1.8
163.14815	3.2
167.08533	1.8
169.10094	3.8
171.11708	7.1
173.11734	23.8
173.13275	7.5
175.14870	6.4
183.11606	2.0
184.07343	3.6
185.13263	6.2
187.14807	2.0
189.11191	2.6
189.12712	1.7
193.04999	4.8
195.11667	1.7
197.13190	1.4
198.13666	1.2
199.14792	2.5
209.13194	1.5
223.14821	1.3
227.12737	9.9
229.14360	76.5
231.21088	5.2
241.19513	18.9
243.20985	1.6
256.26279	7.4
259.20590	60.3
260.20828	1.5
261.22101	2.8
315.23172	4.4
333.20444	2.4
333.24261	45.6
334.24817	1.5
338.63962	1.2
385.09122	2.8
429.11667	4.1
469.33255	2.3
473.14417	2.3
487.34210	23.5
505.28137	1.9
505.35233	31.4
522.35492	1.6
539.37329	1.3
540.37518	9.3
702.38672	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.2
55.01865	3.4
55.05516	47.6
57.03442	15.2
57.07062	5.6
59.05002	1.3
60.08126	1.5
61.02903	3.5
65.03933	2.2
65.38457	1.1
67.05510	58.9
69.03432	9.6
69.06796	1.4
69.07070	14.0
69.88065	6.5
70.83723	1.2
71.08615	6.0
79.05500	32.4
81.03418	4.3
81.07061	44.8
83.04971	4.0
83.08622	31.7
84.74362	1.3
85.02885	4.5
85.06554	1.5
85.10166	3.0
86.09703	5.1
87.04482	1.4
89.06005	3.6
91.03889	1.6
91.05479	15.9
93.06486	2.0
93.07050	33.2
95.04957	4.1
95.08615	30.1
97.02879	3.2
97.06531	3.6
97.10175	60.7
105.04530	1.6
105.07050	10.2
107.08604	35.7
109.10163	22.5
111.08079	2.5
111.80302	1.3
117.07050	6.5
119.08604	8.2
121.10149	14.6
123.11704	5.9
125.00051	3.0
125.09635	59.8
127.03867	1.6
131.08574	7.4
133.10144	7.6
135.08034	5.9
135.11722	10.4
137.13263	2.1
143.10715	2.0
145.10149	4.6
147.11702	4.1
149.13228	5.1
153.09126	2.9
159.11679	4.3
161.13252	3.3
163.11258	1.8
163.14803	3.1
171.10197	4.8
173.11877	1.6
173.13280	3.5
175.14842	1.6
184.07362	20.7
189.11212	40.8
191.81015	1.2
193.12241	1.8
227.12799	74.1
227.20024	6.4
228.13113	1.5
243.21126	5.1
245.13863	100.0
261.22153	31.3
267.15860	4.2
279.23175	2.9
311.25674	2.3
313.27292	6.5
314.27832	2.2
317.24677	3.4
335.25824	99.6
336.26059	2.5
431.31046	1.9
467.37296	3.0
468.37604	10.8
487.34555	6.9
505.35205	75.5
506.35342	2.3
522.38562	1.9
523.36041	4.4
534.69983	1.8
635.41333	1.4
670.25885	2.4
702.27924	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	702.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90471	1.1
53.03945	2.6
55.01878	3.1
55.05516	36.5
57.03441	10.0
57.07075	6.8
57.19062	1.1
59.04998	2.2
60.08177	2.1
61.02930	3.2
61.26992	1.1
65.03947	1.2
67.05511	45.2
68.05850	1.3
69.03457	6.0
69.07069	12.2
71.05000	1.4
71.07379	1.0
71.08636	3.0
71.53860	0.9
71.54325	1.6
79.05498	26.8
81.03456	2.1
81.07065	35.4
83.04983	3.5
83.08624	25.0
85.02902	4.5
85.06560	1.6
86.09709	10.4
87.04517	1.3
90.29124	1.2
91.05476	11.5
93.07050	23.9
95.04989	2.4
95.08616	23.6
95.09187	2.2
97.02896	2.4
97.06571	1.7
97.10178	52.6
104.10741	1.7
105.07029	7.5
107.08598	24.1
109.10157	18.9
111.08096	2.6
117.07027	4.5
119.08593	5.5
121.10168	11.2
123.11736	4.0
125.00004	7.6
125.09637	53.0
131.08585	4.6
133.10141	4.7
135.08063	3.9
135.11691	6.4
137.13216	1.1
143.10693	2.1
145.09184	1.1
145.10088	6.2
147.11681	2.6
149.13248	3.9
153.09125	2.1
159.11691	3.2
161.13229	1.7
163.14781	1.9
171.10222	4.5
173.13252	4.0
177.16454	1.4
179.14360	1.3
184.07358	41.7
189.11224	38.9
227.12794	70.8
243.21127	4.3
245.13872	100.0
250.10403	1.4
261.22195	18.3
279.23166	3.7
313.27316	1.8
314.27725	1.5
314.45752	1.3
317.24860	4.4
335.25845	66.2
354.45816	1.2
431.31509	1.5
438.51108	1.3
467.37408	1.9
468.37772	6.7
483.23532	1.8
487.34286	8.1
505.35156	39.1
511.23367	1.5
513.24677	2.9
523.36096	4.3
578.21692	1.7
587.27167	1.2
596.22064	1.5
609.22931	1.8
627.23975	3.3
628.24738	2.2
638.26105	1.5
642.26251	3.8
652.24512	3.9
670.26135	11.4
702.28204	20.9
702.42914	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	702.4698
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64854	0.1
53.52794	0.1
55.05518	0.2
56.05028	0.8
57.07079	0.2
58.06308	0.3
58.06591	2.6
59.07393	0.2
60.08167	6.7
67.05512	0.5
70.09343	0.5
70.09719	0.3
71.07374	3.5
71.08650	0.2
74.39923	0.1
79.05503	0.4
81.07068	0.3
86.09708	31.1
87.10033	0.2
89.06032	0.4
91.05500	0.2
93.07079	0.2
98.98466	3.2
104.10747	2.9
105.07063	0.3
125.00008	21.7
133.08646	0.3
135.11604	0.1
136.06128	0.2
143.01073	0.2
166.02696	0.2
179.48943	0.1
184.07343	100.0
185.07680	0.4
257.97559	0.2
423.21716	0.2
438.23532	0.2
438.60809	0.1
505.38147	0.3
582.12378	0.2
612.28522	0.2
670.29181	0.5
702.31592	4.4
702.46411	9.8
703.32813	0.2
703.46234	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51011	0.2
56.05026	0.6
56.98959	0.2
57.07061	0.5
58.06598	0.5
60.08167	6.1
60.52495	0.2
63.14229	0.2
67.05489	0.5
70.06614	0.3
71.07375	3.5
71.13567	0.4
75.15902	0.2
79.05524	0.2
81.07047	0.4
85.07932	0.2
86.09708	31.4
89.06037	0.5
91.05472	0.3
93.07037	0.2
95.08594	0.5
98.98478	3.1
104.10732	2.3
105.07018	0.2
113.72787	0.2
117.07069	0.2
119.81178	0.2
125.00009	21.4
133.08623	0.2
143.01140	0.3
143.58722	0.2
159.92999	0.2
166.02635	0.2
184.07343	100.0
184.52492	0.2
185.07704	0.5
186.27959	0.2
206.05688	0.2
218.08270	0.2
222.78583	0.2
222.80864	0.2
225.06491	0.2
284.54889	0.2
314.27899	0.2
328.32535	0.2
469.03149	0.2
689.31049	0.2
702.47034	9.3
703.46930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35312	1.4
52.42245	1.4
53.03948	3.3
55.01872	2.5
55.05518	10.0
57.03440	17.2
57.07077	34.7
61.02911	5.0
67.05506	21.1
69.03432	1.7
69.07073	10.7
69.80192	7.9
71.04994	2.1
71.08633	29.1
79.05495	11.4
81.03423	76.7
81.07050	24.9
83.04979	3.9
83.08220	2.1
83.08628	22.1
85.02911	3.8
85.06547	2.6
85.10186	14.5
85.77457	1.7
86.09700	4.5
89.06026	5.1
91.05476	11.6
93.07043	10.1
95.04969	20.4
95.08610	24.6
97.02901	2.8
97.06548	3.2
97.10169	9.4
98.20713	1.4
105.07028	12.2
107.05006	3.4
107.08591	3.7
109.06537	2.9
109.10155	10.9
111.08080	7.1
111.50335	1.4
117.07070	1.5
119.08591	11.0
121.06528	2.8
121.10152	6.6
123.04414	2.0
123.08132	1.6
123.11711	3.3
124.99992	2.0
125.09649	2.5
129.06985	8.4
131.08594	8.7
133.10139	4.3
135.11702	1.9
137.09621	1.8
137.13280	2.3
142.07791	2.0
145.10185	2.1
147.08014	2.1
147.11667	7.1
149.09633	3.6
157.10153	8.9
163.11198	2.9
175.11221	7.1
184.07378	13.2
193.12254	21.3
227.12793	1.9
235.13225	2.1
239.23822	3.0
257.24634	2.4
267.15924	100.0
273.14819	1.9
288.91559	1.4
298.70554	1.5
301.14276	2.3
309.17099	3.2
313.27380	97.2
505.38934	74.9
506.39142	2.7
547.39807	3.8
563.53711	1.7
573.48926	3.1
590.48035	2.2
702.55542	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	703.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	4.2
67.05515	2.7
68.30654	1.3
71.08617	3.3
81.03356	1.9
81.07063	2.4
81.48055	1.3
89.06031	5.8
93.07066	1.9
95.08617	2.0
125.00048	1.7
133.08598	3.3
164.10684	1.5
177.11234	1.7
184.07405	5.6
200.81808	1.3
218.11021	1.5
235.12331	1.7
237.13925	2.8
267.16010	2.4
340.18225	1.9
354.19504	1.9
365.17896	2.0
377.17944	1.7
381.21112	1.9
394.18527	1.7
395.18616	4.0
407.22815	2.4
408.19043	2.5
409.20267	28.9
410.20251	1.7
421.20593	2.1
423.22018	9.4
424.22662	10.5
435.22147	3.1
437.19421	1.8
439.17722	1.6
443.22113	4.2
449.19553	2.1
451.21463	1.9
453.18835	7.1
454.20105	2.2
463.21356	2.2
467.20367	2.2
468.21600	4.1
479.21027	1.9
493.18625	2.8
495.23920	4.7
496.24509	2.1
497.26328	3.1
498.25262	1.7
510.26260	2.6
511.27264	23.5
512.27814	2.9
522.26318	1.9
523.23682	4.7
538.26117	1.6
541.24579	2.9
541.39185	3.0
551.23181	2.7
554.24933	1.6
555.26129	18.0
556.26971	4.7
567.22925	4.7
581.27405	4.4
582.24866	3.4
583.25128	2.6
593.23999	2.5
598.27911	13.6
599.28827	1.7
600.28827	3.6
610.23486	1.9
611.24548	1.8
625.26691	7.8
626.26776	1.6
642.26752	4.8
643.27551	6.2
648.69696	1.5
653.26044	11.4
685.28711	71.6
686.29279	2.1
703.29700	100.0
704.29858	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	703.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
59.23125	1.0
67.05496	4.4
69.07064	1.2
71.04993	1.2
71.24225	1.1
71.53669	1.9
81.03399	1.4
81.07058	3.0
83.08604	1.5
91.05479	2.2
93.07050	2.1
95.04908	1.0
95.08561	1.2
105.07073	2.6
107.08569	1.7
108.17209	1.1
119.08591	1.6
122.09644	1.2
132.08113	1.7
142.74435	1.1
145.07585	1.4
166.08626	1.7
173.07106	2.0
180.10190	1.9
184.07402	3.3
187.08720	2.7
197.10818	3.1
201.06696	2.5
209.10793	5.0
210.11501	1.6
211.12273	3.4
215.08212	2.1
219.11443	1.3
221.10831	1.2
223.12344	4.6
224.12971	5.5
225.13889	5.4
236.13106	1.5
237.10298	2.1
237.13870	10.6
238.14661	5.2
239.15396	7.0
240.16267	1.5
251.11749	1.9
253.13394	3.7
263.15332	1.8
265.13312	6.3
266.14163	3.6
267.14871	5.7
282.13705	1.3
299.10300	2.2
300.14825	1.2
309.16031	1.7
311.25830	1.6
317.11383	1.7
319.29681	1.2
325.15567	3.6
326.16068	1.2
334.14352	1.3
383.18997	1.6
386.19254	1.3
388.20410	4.1
389.20871	1.3
391.15656	1.4
396.16827	1.4
402.21982	2.0
404.23111	2.7
406.17810	1.7
411.17838	1.8
421.16513	1.7
427.21448	3.5
430.21249	1.7
431.21820	1.6
455.20850	1.9
462.20117	1.7
468.22894	1.4
469.22583	1.3
470.23587	1.5
481.21866	1.5
485.25912	1.7
490.23361	5.7
491.24203	2.3
497.25369	2.0
498.23663	3.7
513.24463	4.9
514.25739	4.6
523.23694	5.8
524.22650	3.2
541.24573	6.5
542.25366	1.7
551.23077	2.8
569.24127	5.5
573.27570	2.7
583.25488	4.0
601.26605	9.3
611.25024	16.5
629.26013	15.6
639.24036	1.8
643.27673	24.9
661.28699	7.7
671.27094	100.0
672.27124	3.5
703.29645	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	703.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19188	0.2
67.05466	0.3
70.32643	0.8
70.32993	0.3
81.03377	0.4
81.07041	0.3
83.04991	0.3
93.07008	0.3
121.10116	0.3
148.07512	0.3
163.03940	0.3
165.09055	0.3
185.04245	1.3
267.08472	0.8
267.16058	0.3
269.06592	0.3
311.07379	0.5
329.08472	6.5
349.22998	0.7
367.23914	1.0
379.24503	1.6
397.25610	51.8
398.25833	0.9
641.35870	0.4
703.35114	100.0
704.35376	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	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	1.0
57.07061	0.2
58.06625	0.4
59.07375	0.2
60.08163	6.2
67.05505	0.2
69.33350	0.1
70.06596	0.1
70.77536	0.1
70.77870	0.1
71.07375	3.5
71.08638	0.1
79.05520	0.1
81.07042	0.2
86.09707	32.2
87.10023	0.3
93.07041	0.3
95.08574	0.2
98.98465	3.2
104.10751	3.3
107.08617	0.1
125.00005	21.7
135.11658	0.2
145.10184	0.1
163.11211	0.2
166.02740	0.1
184.07339	100.0
185.07733	0.5
208.90260	0.1
254.51089	0.1
318.50439	0.1
364.16599	0.1
413.39807	0.1
496.33804	0.2
521.38879	0.1
599.29913	0.1
704.44946	18.7
705.45160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.4497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67772	0.1
54.16926	0.1
55.05507	0.1
56.05038	0.7
57.07072	0.2
58.06627	0.4
59.07397	0.1
60.08167	6.5
67.05495	0.3
69.07055	0.1
70.06584	0.1
70.24116	0.4
71.07378	3.8
71.08632	0.1
71.59152	0.1
79.05512	0.1
81.07075	0.2
86.09710	32.8
87.10005	0.2
91.05478	0.2
94.83472	0.1
95.08606	0.2
98.21531	0.1
98.98466	3.1
104.10741	2.4
105.07049	0.2
107.08614	0.1
121.42492	0.1
125.00011	22.3
143.01089	0.2
166.02670	0.1
172.86670	0.1
184.07349	100.0
185.07706	0.5
346.77850	0.1
471.87665	0.1
496.34177	0.1
506.91647	0.1
533.49347	0.1
704.31635	1.4
704.44788	9.7
705.44580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.1
55.95964	0.1
56.05041	0.9
57.07072	0.2
58.06626	0.4
59.07395	0.1
60.08169	7.2
63.54716	0.1
67.05510	0.3
69.07069	0.1
70.06581	0.1
71.07380	4.1
71.08600	0.2
71.16992	0.1
71.17323	0.1
79.05482	0.2
81.07066	0.3
83.43085	0.1
86.09712	35.9
87.10023	0.2
91.05498	0.2
93.07047	0.3
95.08611	0.4
96.38507	0.1
96.57174	0.1
98.73709	0.1
98.98472	3.6
104.10751	3.4
105.07088	0.1
107.08615	0.3
109.10150	0.1
110.20635	0.1
119.08586	0.1
121.10199	0.1
125.00013	22.6
127.26103	0.1
131.90233	0.1
133.08543	0.1
135.11740	0.2
143.01105	0.2
145.10129	0.2
163.06819	0.1
163.11197	0.3
166.02646	0.2
184.07352	100.0
185.07744	0.6
193.84622	0.1
196.60782	0.1
227.12790	0.1
241.26668	0.1
496.33945	0.3
521.38611	0.1
704.44983	16.8
705.33380	0.2
705.44714	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.7
53.03934	2.9
55.01870	3.5
55.05514	15.8
55.45690	0.5
56.14419	0.5
57.03440	10.9
57.07055	0.7
59.04993	2.4
61.02931	3.4
67.05508	18.0
68.94419	0.6
69.02802	0.6
69.03427	3.6
69.07070	5.5
69.14734	6.1
70.02065	0.8
71.01355	1.6
71.04990	2.5
72.81994	0.5
73.02913	1.4
79.05495	16.9
81.03421	42.7
81.07060	23.9
81.07534	1.3
83.04988	10.4
83.08620	19.6
85.02910	17.0
85.03299	0.3
85.06521	2.3
86.09708	0.7
87.04475	0.6
89.49261	0.6
91.03949	1.5
91.05482	28.4
93.07047	18.6
93.07641	1.0
95.04974	17.0
95.08604	8.7
97.02906	7.0
97.06540	5.7
97.09650	0.5
97.10174	3.8
99.00822	11.3
99.04481	1.3
99.08076	1.0
103.05476	1.1
105.03431	0.5
105.07034	21.1
106.92250	0.5
107.04958	7.6
107.08598	7.9
109.02895	7.7
109.06525	5.3
109.10173	5.1
111.04448	3.8
111.08090	7.7
111.78466	0.5
113.06001	1.8
115.03954	2.5
115.05399	1.2
117.06999	2.7
119.04946	1.4
119.08591	14.9
121.02882	1.2
121.06514	5.0
121.10148	5.6
123.04434	1.9
123.08058	2.1
123.11705	1.8
125.09638	1.8
127.03922	1.6
127.07599	0.6
128.06268	0.7
129.07021	6.6
131.08595	7.5
133.06529	2.7
133.10133	29.5
134.10481	0.8
135.08073	1.3
135.11682	2.0
137.05984	1.4
137.09578	2.6
139.07558	1.6
142.07777	1.8
143.08559	4.2
143.53384	0.5
145.06483	1.2
145.10141	2.3
147.04448	1.5
147.08063	2.9
147.11693	8.5
149.09589	4.0
151.11201	7.6
155.38171	0.6
157.10139	6.8
161.09615	12.2
163.11194	3.9
165.09154	2.5
165.12762	1.6
166.09406	0.7
171.08069	2.4
173.09608	0.7
175.11198	8.9
179.10686	6.8
181.12404	0.6
184.07353	2.1
189.09091	4.7
189.11267	0.6
193.12251	28.2
197.11717	2.0
207.10143	1.9
209.11752	0.8
211.13300	39.5
221.55475	0.6
225.11229	7.1
227.12793	2.3
229.14262	0.8
243.12328	1.2
249.14699	0.9
265.14362	1.1
267.15918	16.2
281.13849	3.4
283.15396	3.7
285.16971	34.8
286.17490	0.7
299.14905	57.0
300.15433	1.1
301.16534	1.2
409.81860	0.7
445.25629	2.1
463.27072	0.9
473.25467	4.1
491.26367	16.9
509.27469	100.0
510.27802	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	706.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01865	0.5
55.05515	8.4
57.03440	6.4
57.07064	1.5
61.89894	0.3
62.06047	0.3
65.03922	0.6
67.05506	20.3
69.03417	0.8
69.07068	11.5
69.29885	1.4
69.30312	1.3
71.04980	0.9
71.08607	0.7
74.91304	0.3
79.05063	0.5
79.05496	5.7
81.03425	2.0
81.07056	21.5
83.04997	1.7
83.08168	0.4
83.08620	6.3
85.02904	0.4
85.06535	0.9
85.10161	0.3
86.09682	0.9
87.04462	0.3
91.05478	5.7
93.06480	0.5
93.07044	6.8
95.04964	1.1
95.08605	15.5
97.06507	1.7
97.10169	3.8
99.08094	0.8
105.07021	3.5
107.04910	0.4
107.08583	3.8
109.06499	0.5
109.09480	0.4
109.10162	5.6
111.08070	0.9
111.11719	0.7
119.08586	3.3
121.10148	2.6
123.08070	0.5
123.11725	2.5
124.99963	0.7
125.09641	0.7
129.07001	0.5
131.08543	1.1
133.10146	3.4
135.11679	1.3
137.13271	1.0
142.02646	6.7
147.11729	1.9
149.09656	0.5
149.13252	0.7
151.14757	0.4
153.12692	0.5
157.10121	0.5
161.13191	1.6
173.13281	0.3
175.14839	0.5
184.07315	3.1
193.12315	0.6
198.05165	0.6
208.17029	0.5
210.14909	0.7
211.13297	0.8
216.06239	0.7
218.15544	0.4
225.29214	0.3
228.15886	0.5
245.22433	0.4
254.17531	0.7
257.28418	0.3
263.23746	0.7
274.18011	1.2
292.19070	0.3
306.27917	1.9
326.13480	0.6
337.27362	100.0
338.27744	2.9
352.15256	1.2
354.14529	0.4
370.16223	0.6
372.15750	1.9
442.95731	0.4
460.28207	0.6
478.29312	3.8
526.36139	0.5
529.38184	0.3
544.36829	0.7
568.00989	0.4
584.52704	0.3
602.91675	0.3
674.28888	0.3
688.40851	0.9
706.41388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
52.79950	0.2
53.03934	0.5
55.01873	0.5
55.05515	9.4
56.87047	0.2
57.03444	5.4
57.07084	1.2
59.68468	0.2
62.06084	0.5
63.25193	0.2
65.03932	0.7
67.05508	19.1
68.05822	0.3
69.03414	0.8
69.07072	11.9
70.06578	0.2
71.05005	0.9
71.08614	0.6
79.05087	0.4
79.05501	5.5
81.03416	1.8
81.07060	20.4
82.07375	0.3
83.04997	1.4
83.08622	6.0
85.02929	0.3
85.06538	0.9
85.10184	0.3
86.09711	0.3
91.04911	0.3
91.05481	5.0
93.07047	6.8
95.04966	0.8
95.08612	14.8
97.02873	0.4
97.06539	1.6
97.10174	3.4
98.06068	0.4
98.21553	0.4
98.98446	0.5
99.08076	0.6
105.07037	3.4
107.04925	0.2
107.08603	3.4
109.02835	0.2
109.06512	0.5
109.10159	6.5
111.08063	0.7
111.11719	0.9
117.06998	0.4
119.08591	2.7
120.08866	0.2
121.10155	3.0
123.08060	0.4
123.11710	2.7
124.01591	0.6
124.99924	0.3
125.09624	0.4
127.03905	0.2
129.07031	0.2
131.08543	0.5
132.08929	0.2
133.10120	2.4
135.08012	0.2
135.11682	2.0
137.09570	0.2
137.13249	1.0
142.02654	4.9
143.08562	0.3
145.10100	0.4
147.11691	2.0
149.13251	0.8
151.11182	0.2
151.14795	0.5
153.12723	0.4
157.10088	0.2
159.11697	0.4
161.13248	1.3
163.14847	0.5
163.27898	0.2
165.12810	0.2
175.11238	0.3
175.14824	0.7
177.16286	0.3
184.07394	1.1
193.12239	0.5
198.05276	0.4
210.14917	0.4
211.13318	0.5
216.06310	0.8
218.15535	0.3
228.16037	0.4
245.22720	0.5
254.17555	0.8
263.23599	0.6
306.27951	1.9
326.13821	0.4
336.83542	0.2
337.27371	100.0
338.27719	2.3
352.15222	0.9
370.16187	0.3
372.15784	0.2
460.28323	0.7
478.29300	4.3
544.37036	0.9
588.62524	0.2
670.06213	0.2
688.41187	0.6
706.41748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05035	0.6
57.03428	0.1
57.07063	0.3
58.06622	0.4
59.07388	0.1
60.08163	6.7
67.05512	0.4
69.07050	0.1
70.06567	0.1
71.07372	3.4
71.53707	0.1
79.05481	0.2
81.03405	0.1
81.07055	0.3
83.08611	0.1
86.09705	31.6
87.04472	0.6
87.10040	0.2
91.05470	0.2
93.06991	0.1
95.08593	0.2
97.32065	0.1
98.98463	3.2
104.10741	2.5
105.07026	0.2
107.08598	0.1
109.10174	0.1
112.22038	0.1
117.07036	0.1
119.08601	0.1
121.10172	0.1
125.00002	21.1
130.26549	0.1
133.10129	0.1
143.01059	0.2
147.11720	0.1
166.02650	0.2
184.07336	100.0
185.07712	0.6
186.07816	0.2
221.63367	0.1
300.02701	0.1
335.25775	0.1
367.16898	0.1
450.22656	0.1
468.23178	0.1
496.33829	0.1
520.00732	0.1
608.26044	0.1
609.26868	0.5
688.45624	0.5
706.46552	9.5
707.46606	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11692	0.1
56.05044	0.8
57.07065	0.2
58.06618	0.4
59.07397	0.1
60.08165	6.6
67.05497	0.2
69.27449	0.2
69.27852	0.9
70.06583	0.1
71.06984	0.2
71.07375	3.2
71.08630	0.1
81.07043	0.2
86.09708	32.3
87.04462	0.3
87.10021	0.5
95.08621	0.2
98.20791	0.2
98.98467	3.5
104.10742	2.4
125.00007	21.1
143.01045	0.2
159.36484	0.1
184.07343	100.0
185.07700	1.6
186.07787	0.6
321.73068	0.1
414.56363	0.1
448.21707	0.2
475.21487	0.2
476.21756	0.3
496.34143	0.2
608.26288	0.2
609.26642	1.4
615.77637	0.1
706.46454	13.7
707.47119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12267	0.3
69.42069	0.4
69.42470	1.6
81.03419	0.4
82.99806	1.5
85.02887	0.4
88.92264	0.3
96.37379	0.3
97.02870	0.5
101.00878	5.7
109.02863	0.6
113.00871	1.6
119.01064	0.5
119.01924	7.4
122.01381	2.8
122.51475	0.5
125.39745	0.3
127.02382	1.6
128.01344	0.4
131.01910	4.8
131.51915	0.6
135.48921	0.3
137.01884	1.7
137.02951	0.8
137.51917	0.4
139.02368	0.9
143.01901	18.1
143.51959	0.8
145.03481	6.2
147.01384	0.8
149.01895	0.8
149.47992	0.3
152.02397	1.3
152.52550	0.6
153.03983	0.5
155.01903	10.4
155.37305	0.3
157.03444	3.2
158.02422	0.5
161.02962	12.0
161.38091	0.3
164.02405	1.1
165.71582	0.3
167.01900	8.0
169.03462	2.4
171.05049	2.3
173.02969	16.4
173.52995	0.8
175.04576	0.5
179.01794	3.1
179.03271	0.3
181.03522	0.7
182.03532	0.6
184.04663	0.3
185.02959	30.8
186.03224	0.5
187.04535	3.6
191.03967	0.5
194.03453	0.7
197.02960	12.1
197.04778	0.6
199.04555	0.5
203.03979	8.0
203.05707	0.5
203.54160	0.6
208.04556	0.6
209.02963	1.2
215.04019	6.9
221.05054	0.6
224.04555	1.1
227.04022	8.3
233.05032	0.6
239.04091	0.8
242.40623	0.3
245.05075	100.0
246.05319	2.0
254.05516	0.4
257.05078	4.9
263.03378	0.5
263.06155	9.9
275.06125	12.0
276.06146	0.4
284.06610	3.7
284.56821	1.3
286.07806	0.3
287.06079	0.7
293.07239	2.2
305.07169	11.6
329.07111	0.4
335.08289	3.9
347.08163	0.9
365.09305	43.5
365.59567	1.6
366.09555	1.3
383.10349	1.5
407.10092	0.6
425.11426	42.2
426.11725	1.2
434.34573	0.3
437.11295	2.4
455.12561	3.4
485.13647	1.0
503.21747	0.3
527.14716	0.5
592.23950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99417	0.5
61.19081	0.5
71.50484	0.8
82.99893	1.6
101.00884	5.5
105.76140	0.5
113.00883	1.8
119.01938	6.4
122.01414	2.0
127.02439	1.8
128.01379	0.8
131.01952	5.1
136.72205	0.5
137.01921	1.9
137.02914	0.6
137.52097	0.5
139.02423	0.7
143.01906	18.7
143.51974	0.8
145.03470	5.9
149.01898	0.7
152.02423	1.0
155.01918	9.4
157.03473	3.1
161.01741	0.9
161.02989	12.4
164.02370	1.3
167.01897	8.9
167.03143	0.9
168.02222	0.5
169.03429	2.5
171.05022	1.9
173.02983	14.2
173.53099	0.6
179.01898	3.0
180.46414	0.6
181.03470	0.8
185.02927	28.6
185.04289	3.8
186.03192	0.8
187.04536	2.5
194.03462	0.9
197.02979	12.2
199.04474	0.6
203.03932	5.6
203.05612	9.8
209.02963	0.8
215.04025	7.5
221.04901	0.7
224.04533	0.7
227.04042	6.5
239.04037	0.9
245.05095	100.0
246.05330	2.1
257.05078	5.0
263.06152	10.0
275.06107	12.6
284.06644	3.2
284.56824	1.1
293.07190	2.5
305.07193	10.9
317.07016	0.7
335.08307	3.9
347.08542	0.8
365.09973	66.4
366.09814	0.9
377.83167	0.6
383.10309	1.4
407.10443	0.6
425.11444	37.2
426.11575	1.5
437.11395	2.3
455.12576	3.2
485.13324	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	707.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39700	0.5
62.75442	0.5
70.29277	0.5
71.03513	0.4
71.50864	1.0
87.08356	0.6
101.00909	1.9
113.00916	0.7
116.66679	0.5
119.01915	2.3
131.01917	1.0
143.01918	6.5
145.03476	2.4
153.47986	0.6
155.01891	4.7
157.03482	1.3
161.02994	4.7
167.01918	3.1
171.05093	0.8
173.02997	4.0
179.01993	1.7
185.02962	9.8
185.04291	10.2
187.04584	1.5
197.02966	4.5
203.05321	32.2
209.03067	0.9
215.03972	3.3
227.03999	3.2
245.05086	38.7
246.05453	0.8
257.05142	1.6
262.78558	0.6
263.06207	4.1
275.06122	4.2
293.06918	1.1
305.07196	4.2
365.10529	100.0
366.10825	2.0
425.11407	18.4
435.49954	0.6
437.11661	0.7
455.12378	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22223	0.6
52.04747	0.6
57.01764	0.6
69.85368	2.4
93.53529	0.7
101.00880	1.6
114.89341	0.7
119.01933	2.8
131.01913	1.5
143.01923	5.5
145.03473	2.6
155.01871	3.5
157.03474	1.3
161.02945	5.0
167.01898	3.6
173.02934	5.3
179.01889	1.0
185.02960	9.4
185.04277	9.6
187.04506	1.1
197.02939	5.3
203.05350	26.5
215.04089	2.7
227.04057	3.1
245.05093	42.3
246.05270	0.8
257.05054	1.5
263.06131	4.5
275.06107	4.2
293.06934	1.0
305.07184	5.1
335.08286	1.5
365.10513	100.0
366.10651	1.4
425.11414	17.9
437.11127	1.0
441.96265	0.8
455.12537	1.8
485.13364	0.9
528.05652	0.8
706.51611	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70520	0.2
55.05504	0.4
55.79359	0.2
56.05022	0.9
56.46921	0.2
57.07079	0.4
58.06357	0.3
58.06622	0.5
60.08167	6.8
67.05495	0.9
69.07060	0.3
69.26039	0.2
71.04988	0.2
71.07380	3.5
71.08628	0.3
71.62103	0.2
73.08942	0.2
75.26672	0.2
79.05489	0.5
81.03419	0.2
81.07050	0.7
83.04941	0.3
83.08623	0.4
86.09710	31.3
91.05475	0.3
93.07043	0.7
94.15023	0.2
95.04987	0.2
95.08619	0.4
97.10116	0.3
98.98463	3.1
104.10752	2.1
104.65649	0.2
105.07032	0.3
107.08601	0.3
109.10147	0.7
113.54202	0.2
114.93120	0.2
117.07059	0.2
125.00011	21.8
130.40390	0.2
133.10136	0.3
135.11691	0.2
163.11203	0.3
165.12721	0.2
166.02733	0.2
184.07349	100.0
185.07727	0.7
219.93100	0.2
262.88608	0.2
364.12589	0.2
536.37280	0.3
676.45154	1.1
708.48145	9.2
709.48285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41282	0.7
55.01870	7.9
55.05514	7.5
57.03448	3.9
57.07077	4.8
58.33807	0.8
59.05012	1.3
65.16391	0.9
66.23316	0.9
67.05514	7.6
69.03433	1.4
69.07071	51.9
70.65081	1.0
70.65418	2.0
71.04991	3.8
71.08639	1.3
73.02919	5.3
79.05505	7.4
81.03425	1.2
81.07066	10.4
83.04985	2.6
83.08627	15.3
85.02927	1.9
85.06572	0.9
86.13762	0.9
87.04482	1.1
87.08106	1.1
91.05486	1.7
93.07053	14.7
95.08063	1.2
95.08614	12.5
97.06544	16.9
101.06027	1.1
105.07029	1.4
107.08594	14.2
109.10155	7.1
111.08108	4.7
111.11726	5.8
115.07574	1.7
125.13281	1.2
126.12634	1.1
127.16246	0.8
129.46402	0.8
135.11697	44.8
136.12025	0.9
153.12752	97.0
171.13806	100.0
172.14110	0.9
181.09564	1.0
184.07344	1.9
189.14854	9.2
212.16498	2.6
216.88268	0.9
323.25833	6.8
326.77014	0.9
341.26874	19.0
342.27457	1.0
359.27930	5.4
398.33942	0.8
459.39648	0.9
504.37827	1.7
519.36688	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	710.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.6
55.01881	0.5
55.05516	1.8
56.05031	0.8
57.03440	1.7
58.06351	0.3
58.06606	0.4
60.03707	0.2
60.08169	6.6
65.03937	0.2
67.05504	2.8
68.19260	0.2
69.03432	0.9
69.07067	1.0
71.04993	0.5
71.07374	3.5
71.52947	0.2
79.05490	2.7
81.03420	10.2
81.07058	3.4
83.04968	1.4
83.08620	3.4
85.02908	1.9
85.06566	0.3
86.09708	31.7
91.03983	0.2
91.05481	3.2
93.07042	2.5
95.04973	3.9
95.08599	1.4
97.02907	0.7
97.06532	0.7
97.10185	1.1
98.98469	3.2
99.04498	0.2
104.10736	2.6
105.07036	3.3
107.04953	1.2
107.08591	1.6
109.06521	0.6
109.10159	0.7
111.04446	0.5
111.08099	1.8
117.07002	0.7
119.04928	0.3
119.08581	1.9
121.06504	0.9
121.10149	2.0
123.08065	0.7
123.11739	0.3
125.00008	22.8
125.09642	0.9
129.07022	1.8
131.08572	1.3
133.06500	0.7
133.10092	1.3
135.08046	0.5
135.11691	0.4
137.09599	0.2
140.23683	0.2
143.08592	0.3
145.06506	0.3
145.10133	0.6
147.08057	0.4
147.11705	1.8
149.09625	1.0
151.07603	0.2
151.11232	0.3
153.09169	0.2
157.10138	1.9
162.96172	0.2
163.03841	0.3
163.11211	0.3
165.12794	0.5
175.11143	2.0
177.05434	0.3
177.12926	0.2
184.07346	100.0
185.07614	0.4
189.11205	0.3
189.12761	0.2
193.12253	5.6
211.13309	2.9
227.12856	0.3
233.15373	0.4
249.14906	0.2
267.15927	7.2
268.16196	0.3
283.15463	0.3
284.15823	0.3
285.16980	3.1
349.21640	0.2
367.22729	1.0
385.23737	1.4
403.24661	0.6
441.26129	0.4
450.22052	0.3
459.27441	8.2
460.28131	0.3
476.27066	0.3
477.28494	14.7
478.28336	0.3
495.29358	0.6
513.29468	0.4
548.32355	0.3
621.31763	0.3
660.35101	16.0
661.34656	0.3
710.25354	0.4
711.31073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.5
55.05519	11.1
57.03429	5.9
57.19250	1.3
61.02930	7.8
65.03950	1.5
67.05180	2.4
67.05513	29.6
69.03410	1.8
69.06799	1.1
69.07080	13.0
71.04996	3.2
71.08649	1.5
71.51674	1.3
71.52085	2.5
73.02919	3.0
78.36092	1.4
79.05500	19.7
81.03420	4.7
81.07065	33.5
83.04979	4.6
83.08627	10.8
85.02913	11.1
85.06547	3.7
91.03955	7.3
91.05484	16.9
93.07051	28.2
95.04991	3.0
95.08609	21.9
97.02898	3.9
97.06532	7.4
97.10171	2.8
99.04375	1.3
99.08138	1.7
105.07045	15.7
107.08607	20.4
109.06549	2.7
109.10162	13.8
109.53903	1.1
111.08057	2.2
117.07014	5.9
117.26572	1.3
119.08583	14.9
121.10155	14.6
123.11688	2.8
125.09640	3.3
127.03970	3.5
129.07018	2.3
131.08583	7.0
133.10144	14.2
135.08078	2.3
135.11688	11.8
137.09612	1.8
143.08575	2.8
145.04964	2.7
145.10124	5.6
147.11699	14.5
149.09691	1.8
149.13245	6.9
151.11220	2.4
157.10141	3.1
159.11687	6.2
161.13251	7.7
163.06039	2.6
163.11168	2.6
163.14781	1.5
165.09154	6.5
165.12846	1.9
166.09453	1.9
171.11691	3.8
173.11720	3.4
173.13300	3.8
175.14888	3.4
177.12762	3.1
179.14323	4.7
184.07367	3.1
185.13284	3.5
199.14934	1.7
224.48584	1.1
229.14371	13.0
241.19571	4.8
259.20593	16.5
267.15826	1.7
269.17584	4.4
277.21649	15.7
333.24332	3.9
351.25305	100.0
351.74698	1.4
352.25378	2.1
369.26300	4.5
459.27798	1.6
477.28464	2.4
495.29425	5.3
513.30701	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	710.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01878	0.9
55.05516	7.0
57.03439	5.1
57.07078	1.5
61.02930	9.7
64.66805	0.7
65.03930	0.9
67.05511	19.5
68.05853	0.6
69.03422	2.7
69.07076	6.6
71.04990	1.9
73.02923	4.4
77.03994	0.6
79.05499	27.2
81.03431	3.1
81.07063	22.6
83.04983	1.5
83.08616	4.6
85.02439	1.1
85.02916	12.7
85.06543	1.4
86.09724	0.7
87.04479	1.0
91.03965	9.1
91.05491	21.7
93.07053	35.7
95.04978	3.4
95.08611	14.9
95.09178	1.1
97.02894	6.1
97.06535	2.3
97.10175	1.5
99.04500	0.6
99.08076	1.4
103.66760	0.6
105.07040	21.4
107.04940	0.9
107.08603	21.0
109.02931	0.9
109.06533	1.7
109.10161	6.5
115.05448	0.9
117.07012	7.0
119.08591	21.8
121.06492	0.9
121.10159	17.0
123.08066	1.2
123.11716	1.9
125.09660	1.3
127.03934	2.9
129.05435	0.8
129.07002	4.2
131.08582	10.5
133.06511	0.8
133.10138	19.3
134.10416	0.6
135.08008	0.8
135.11700	16.0
142.07776	0.8
143.08595	5.5
145.04968	4.7
145.10127	9.6
147.08067	0.9
147.11700	15.9
149.09610	2.0
149.13275	9.8
151.11183	0.8
155.08463	0.7
157.10152	5.7
159.11708	9.9
161.09622	0.7
161.13277	14.3
163.05991	5.9
163.11220	1.9
163.14868	4.0
165.09132	1.5
165.12720	0.9
169.10159	1.3
171.11740	7.6
173.13258	5.0
175.14824	6.9
177.12798	1.5
179.14413	0.8
183.11708	1.5
185.13263	6.3
187.14821	1.6
189.12837	0.8
191.14360	0.7
193.12262	0.8
198.52350	0.6
199.14859	2.9
203.14383	1.1
213.16383	1.3
217.19472	1.1
229.14291	1.6
231.17538	0.8
231.21060	3.1
239.18129	0.6
241.19511	12.7
259.20596	38.4
260.20978	1.3
269.17416	1.9
277.21698	5.4
301.21320	0.8
333.24283	8.5
351.25317	100.0
352.25708	2.7
363.25412	1.8
367.22510	1.1
375.25327	2.0
385.23831	0.8
393.26593	1.0
399.24969	0.8
403.24890	1.5
423.27167	1.8
428.90408	0.7
429.25900	1.0
441.26282	5.2
459.27353	4.8
477.28616	4.4
495.29565	8.4
513.30511	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.6
55.05512	10.2
57.03442	12.6
59.04984	0.7
61.02936	1.2
65.03944	1.2
67.05506	17.4
69.03436	3.1
69.07069	5.6
69.21613	4.9
70.06570	0.6
71.04998	2.9
73.02962	0.5
73.97916	0.4
79.05499	18.0
81.03421	77.0
81.07063	18.2
83.04986	11.0
83.08623	21.8
83.09119	1.1
84.08140	0.7
84.25010	0.5
85.02908	10.5
85.06534	1.4
85.82787	0.5
86.09704	1.9
86.55677	0.5
87.04494	0.6
91.03954	0.6
91.05485	24.0
93.07043	12.3
93.07626	0.5
95.04971	28.4
95.08626	6.7
97.02884	3.7
97.06538	3.7
97.10177	5.9
99.04465	0.9
99.08121	1.0
105.07040	16.1
107.04959	8.3
107.08601	7.3
109.02884	0.7
109.06514	5.3
109.10149	3.3
111.04478	2.3
111.08087	8.5
111.08879	0.6
113.03247	0.4
113.06026	1.7
115.05450	1.7
116.06219	0.5
117.07038	2.3
118.33121	0.5
119.04961	1.1
119.08588	14.8
121.06514	4.5
121.10163	7.7
123.04444	0.9
123.08076	2.8
123.11739	1.8
125.00043	1.4
125.05990	0.5
125.09640	3.3
127.03938	0.8
127.07519	0.7
128.06204	1.0
129.07008	11.5
129.53299	0.5
131.04941	1.0
131.08574	11.5
133.06502	5.0
133.10138	8.4
135.04404	0.6
135.08057	1.3
135.11745	1.3
137.05005	0.5
137.05968	1.0
137.09639	1.6
141.07007	0.5
142.07808	2.5
143.08629	1.4
145.06497	4.4
145.10117	3.0
147.04437	1.4
147.08069	4.1
147.11688	12.4
149.09642	6.0
151.11229	0.6
155.08601	1.2
157.06537	1.3
157.10129	13.6
159.08095	1.0
159.11697	0.8
161.05971	0.6
161.09659	1.1
163.03923	0.5
163.11220	2.1
165.09146	0.5
165.12787	2.1
169.10165	1.2
171.08086	1.1
171.11743	1.3
173.09648	0.9
175.11197	14.4
184.07356	5.5
187.11130	0.9
189.11292	1.5
189.12769	1.0
193.12251	35.8
194.12527	0.6
195.11731	1.4
197.13399	0.6
199.11256	0.6
203.14365	0.5
205.12239	0.8
211.11348	0.7
211.13280	15.9
213.12740	0.8
215.14412	0.6
219.13857	1.5
223.13321	0.7
227.12747	0.7
229.14409	1.4
231.13849	0.6
233.15431	1.1
237.12666	1.1
246.14436	0.5
249.14929	0.9
255.13782	1.9
257.15369	0.5
259.15686	0.8
267.15927	100.0
268.16312	1.6
271.20786	0.8
273.14862	4.0
285.16974	17.5
291.16107	0.5
299.16229	0.5
301.14389	0.7
309.17062	0.6
339.23148	1.8
341.21240	0.9
349.21826	2.7
357.24359	1.1
367.22681	8.2
385.23770	8.6
386.24002	0.6
403.24707	3.7
405.24377	0.8
415.24835	0.8
426.26266	0.5
433.25894	13.0
441.26318	5.8
459.27444	71.9
460.27792	1.7
477.28503	44.9
478.28848	1.1
495.29260	2.0
501.28305	0.8
519.29803	1.3
524.46393	0.5
585.30157	0.8
621.33246	0.6
710.34607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88804	0.8
53.03943	1.9
53.49115	0.8
55.01864	1.2
55.05515	11.3
57.03440	10.8
57.07063	2.2
58.92491	1.0
61.02919	1.2
65.03932	2.7
67.05506	53.0
69.03410	1.3
69.07077	10.3
70.08727	1.8
70.09076	2.6
71.04987	1.4
79.05495	27.8
81.03410	2.3
81.06596	1.9
81.07060	37.6
83.04979	2.3
83.08612	7.4
85.02883	1.1
85.06533	1.5
86.09697	1.8
91.05485	86.7
92.05821	1.4
93.07048	28.9
95.04953	4.1
95.08608	27.9
97.06538	2.3
97.10143	1.9
98.20824	0.9
102.07677	0.8
105.07036	36.4
107.08599	18.5
109.06509	1.4
109.10164	12.7
111.04436	1.1
115.05425	1.2
117.07050	5.6
119.03448	1.1
119.08598	9.6
120.69379	0.9
121.10141	11.6
123.08060	1.8
123.11705	5.3
125.09665	1.3
128.06239	1.5
131.08565	7.8
133.10136	89.7
135.11702	9.9
137.09570	2.0
143.08609	5.0
143.09560	1.0
145.10118	3.3
147.11678	2.9
149.09666	1.5
149.13240	3.9
151.11186	5.1
159.11743	2.2
161.09612	13.8
161.13223	2.2
163.11269	1.3
163.14813	2.5
173.13263	2.2
179.10643	1.2
179.14226	1.1
184.07333	3.5
197.11679	2.5
233.22702	1.3
243.21013	1.2
251.12718	2.3
253.14365	58.5
261.22211	9.2
283.15085	1.1
317.24805	2.0
335.25803	100.0
336.26074	3.8
490.35944	1.1
513.35779	81.7
514.35828	2.3
521.38495	1.6
531.36926	1.6
538.37982	1.9
591.25745	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	712.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.1
55.01863	6.4
55.05515	16.0
57.03439	13.5
57.07055	1.7
61.02909	2.7
63.22949	1.8
65.03932	2.4
67.05511	54.1
69.03429	2.3
69.06792	1.2
69.07075	13.6
71.01345	3.2
71.04589	1.3
71.04980	4.8
71.53267	1.5
78.26625	1.3
79.05497	39.9
80.95664	1.4
81.03412	3.1
81.07059	37.7
83.04990	13.9
83.08636	7.6
85.06547	2.0
91.05482	24.3
93.07046	55.7
93.07635	2.7
94.66799	1.4
95.04947	3.7
95.08611	30.6
97.02863	1.7
97.06529	10.8
97.10172	7.1
99.08065	1.7
103.38924	1.4
105.07037	10.9
107.04942	1.5
107.08603	30.3
109.06509	2.6
109.10155	13.0
111.08096	3.0
117.07011	6.0
119.08588	9.6
121.10153	14.7
122.89369	1.7
123.11686	3.1
131.08551	5.4
133.10158	10.7
135.07994	2.2
135.11691	41.1
137.09552	1.6
137.13234	2.3
142.91666	1.6
145.10127	7.7
147.11679	3.9
149.13234	3.8
153.12784	7.7
159.11674	3.6
161.13235	1.9
163.11200	3.4
165.78772	1.5
173.13153	3.3
181.12224	9.9
184.07321	4.8
187.14781	1.7
187.60703	1.7
193.36105	1.5
212.49857	1.5
221.95964	1.5
227.12704	1.5
243.21060	1.6
255.15923	65.8
261.22153	9.7
291.16217	1.7
292.23169	1.5
312.89471	2.0
317.24631	2.5
335.25839	69.3
336.26083	2.0
367.10834	1.5
423.32364	1.8
441.33566	2.4
515.37354	100.0
516.37549	5.0
529.29126	1.9
533.38147	4.3
537.69092	1.5
683.68604	1.5
707.31787	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	713.1562
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03948	1.9
55.01877	2.1
57.03440	1.7
61.02928	2.0
66.31621	0.2
67.43073	0.1
68.99796	0.9
69.03434	8.8
70.06587	0.3
71.01361	0.3
71.04985	1.3
71.36160	0.3
73.02924	1.8
73.77425	0.2
81.02925	0.2
81.03420	8.0
85.02908	19.7
87.00831	4.3
87.04478	1.0
91.03950	0.7
91.05480	0.2
95.04980	0.3
97.02895	6.3
99.00841	0.1
99.04457	2.9
100.59367	0.1
101.02381	0.3
103.03920	0.5
105.01865	2.8
106.46664	0.1
109.02885	7.1
111.00800	0.5
113.13279	0.2
115.03938	0.3
117.01852	0.8
118.17501	0.1
121.02876	0.8
127.03924	10.5
129.01826	0.7
137.02325	2.0
145.04959	4.2
147.02884	0.5
149.02307	0.2
153.01834	2.5
159.02893	3.0
163.03949	0.5
165.01819	1.3
166.02502	0.2
173.06004	0.2
183.02890	0.7
187.65356	0.2
196.33694	0.2
201.05467	1.0
213.03908	0.2
219.06557	0.2
229.04970	2.8
231.04968	1.4
245.04518	0.2
247.06047	0.7
257.04456	2.1
273.04065	0.2
274.04807	0.7
275.05457	0.5
285.03989	1.0
286.04694	0.2
301.03455	0.2
302.04269	0.8
303.04993	100.0
304.05292	1.4
313.03580	0.2
327.04919	0.5
345.06061	1.9
362.13623	0.2
369.06116	0.2
375.93906	0.2
447.09610	0.2
465.10315	19.0
466.10544	0.4
504.68533	0.2
551.09839	0.4
635.68378	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	714.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05516	8.1
56.05042	1.8
57.03433	5.4
57.07067	2.2
60.08158	4.4
67.05505	20.6
69.07064	6.6
69.60529	8.2
71.07344	1.8
79.05501	14.5
81.03440	1.7
81.07059	29.9
83.08627	5.2
86.09222	2.6
86.09715	28.8
91.05484	11.0
93.06549	1.8
93.07056	15.5
95.08610	15.6
97.06499	2.6
97.10155	2.5
98.21533	1.5
98.98445	2.9
104.10750	2.4
105.07039	14.7
107.08600	11.1
109.10184	7.5
117.07008	3.6
119.08591	8.3
121.10141	9.1
123.11696	3.8
125.00016	19.4
129.07050	1.8
131.08601	6.3
133.10118	5.5
135.11688	4.3
145.10141	5.6
147.11722	7.2
149.13255	3.2
157.10034	1.3
159.11697	3.7
161.13242	1.7
163.14867	1.8
165.12762	2.9
171.11754	3.0
173.11780	1.6
173.13284	2.7
175.14812	2.1
184.07346	100.0
187.14928	2.8
199.14812	1.3
229.14328	3.5
239.16339	7.3
241.17877	2.0
259.20590	1.6
304.26291	2.4
335.25797	14.3
337.30850	1.4
407.33286	2.0
425.34073	3.7
443.35172	2.4
489.35767	2.6
499.37909	10.1
517.38971	26.3
599.50208	4.4
683.26147	1.4
714.46271	4.2
720.17841	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5512
Annotation	Soyacerebroside I
Peak:m/z	Relative Intensity
51.56141	0.3
53.03931	1.0
55.01863	0.4
55.05275	0.5
55.05515	6.7
56.05045	4.1
57.07072	3.5
58.06598	0.7
60.04526	2.5
60.04772	0.5
60.25807	0.4
61.02906	0.8
62.93059	0.4
65.03945	0.5
67.04247	0.4
67.05508	11.6
68.05013	1.1
69.03416	1.3
69.07068	8.1
69.16414	3.3
70.06597	2.2
71.08622	2.2
79.05496	10.3
80.05015	3.1
81.03422	0.7
81.05811	2.0
81.07056	10.6
81.36286	0.3
82.06577	7.0
83.08617	5.1
84.08157	0.7
85.02898	2.3
85.10175	1.1
91.05479	9.1
93.05795	0.8
93.07043	10.6
94.06571	19.2
95.04968	0.9
95.07351	9.3
95.08611	8.0
96.07566	0.6
96.08132	6.4
97.02888	0.5
97.06501	0.5
97.10175	1.9
98.06019	0.5
100.07562	0.5
105.04509	0.6
105.06322	0.4
105.07028	6.7
107.07413	0.4
107.08588	5.0
108.08126	3.5
109.10155	3.3
110.09626	0.5
111.11737	0.7
117.07000	0.5
119.08591	6.0
121.10133	5.7
122.09674	2.6
123.11718	1.7
127.03889	0.5
131.08540	0.4
133.10133	3.7
134.09634	0.5
135.10555	0.7
135.11691	3.6
136.11214	1.0
137.13208	1.2
139.29697	0.4
142.20828	0.4
147.11684	1.0
149.13264	1.0
151.14915	0.4
153.87746	0.4
161.13269	0.9
191.17947	0.4
191.78662	0.4
203.17944	0.4
205.19621	0.4
209.47679	0.4
218.09354	0.3
219.21069	0.6
233.22624	3.2
234.22139	0.6
245.22694	3.6
250.25293	8.0
254.24802	1.1
260.23621	0.7
262.25299	100.0
263.25848	0.8
264.26801	0.5
272.25809	4.7
280.26334	7.4
306.28677	0.4
310.27362	0.5
314.27036	0.6
504.47803	5.5
516.47760	30.8
517.47815	0.7
518.49438	4.8
534.48828	20.4
618.70404	0.5
696.54089	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	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65644	0.3
67.05506	0.9
69.07062	0.4
71.52905	0.5
79.05509	0.4
81.07078	0.7
83.01101	0.5
84.01869	0.3
91.05477	0.8
93.07059	0.7
95.01086	0.7
95.08613	0.7
97.02632	0.3
107.08602	0.4
109.10148	0.4
119.08562	0.5
123.04396	0.5
127.03793	0.3
131.08537	0.3
132.98027	0.3
156.04018	0.4
157.04617	0.5
157.10143	0.4
163.03862	0.5
165.92479	0.4
185.04172	2.6
201.03654	2.5
203.05296	1.9
241.06837	0.4
257.06400	0.7
259.07843	2.2
271.80164	0.4
275.07333	0.8
301.08795	0.3
305.08521	0.5
317.08527	0.8
319.09915	1.6
329.08481	0.7
331.10028	2.0
347.09485	4.2
359.13303	0.5
363.09006	2.1
365.10468	3.7
391.24603	0.8
401.17978	0.5
415.19904	0.4
421.13104	2.0
431.06955	0.3
437.12918	0.6
483.21985	2.2
493.15219	4.1
507.17365	0.7
521.18585	1.4
535.20190	1.1
535.28174	0.5
549.21875	0.5
553.29822	13.9
554.30231	0.6
563.23224	0.8
577.24567	1.8
603.27478	0.5
617.27582	0.8
625.32074	1.4
645.27533	1.3
679.95471	0.4
715.35107	100.0
716.35468	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	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.05513	2.1
57.03435	1.5
61.02932	2.9
67.05499	3.3
69.03442	2.5
69.07069	2.4
70.06587	1.0
70.66264	1.3
71.01341	0.5
71.05007	0.9
73.02933	2.4
79.05492	3.5
81.03426	6.0
81.07066	5.3
83.04970	1.0
83.08629	1.8
85.02908	6.0
85.06551	0.7
86.09737	0.8
87.04466	0.4
91.03970	2.1
91.05488	4.4
93.07053	4.2
95.04986	1.9
95.08613	3.8
97.02885	3.5
97.06546	1.2
97.10186	1.6
99.04481	1.2
99.08117	0.5
101.02402	1.4
105.07037	2.2
107.04983	0.7
107.08617	2.9
108.07987	0.4
109.02898	0.9
109.06566	0.7
109.10196	1.8
111.08084	1.1
117.07034	0.4
119.08571	2.3
121.10171	4.3
123.08102	0.6
123.11727	2.4
127.03961	2.1
129.07028	1.5
131.08617	1.3
133.10146	2.2
135.11772	0.8
137.09673	0.5
137.13324	0.9
139.11180	1.0
145.02933	0.6
145.10155	0.8
147.04405	0.6
147.11752	1.5
149.09659	1.7
149.13327	1.0
155.55618	0.4
157.10208	1.0
161.13353	0.6
163.03937	0.8
175.11253	1.5
184.07481	0.6
193.12283	1.8
203.05194	0.5
211.13390	1.0
213.16869	0.4
243.08488	2.3
251.12697	1.4
252.15932	0.5
267.15924	0.7
269.13611	2.0
285.16986	0.7
305.24643	0.4
307.15329	0.5
326.19980	0.5
431.27887	0.5
433.51462	0.4
437.29019	0.5
443.18906	5.3
449.28638	0.5
467.29904	0.8
469.20477	12.1
487.21741	3.9
535.29218	0.5
671.32849	2.1
697.33960	1.8
715.35144	100.0
716.35382	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	718.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.1
55.01834	1.2
55.05513	5.9
57.03439	7.3
57.07080	20.9
60.08134	0.6
65.03909	0.6
67.05505	10.7
69.03400	1.0
69.07070	6.3
71.04945	1.2
71.08634	16.4
71.53460	0.4
79.05492	9.5
81.03387	1.2
81.07059	15.2
83.04931	1.3
83.08620	9.2
85.02879	1.1
85.06544	0.6
85.10187	10.5
86.09702	2.2
89.04098	0.5
89.06003	1.4
91.05491	3.7
93.07047	14.5
95.04980	2.5
95.08609	26.6
97.02904	1.9
97.06487	1.6
97.10178	3.3
99.04465	2.0
99.04954	0.4
99.11718	1.0
103.07566	1.1
105.07046	2.4
107.04953	3.8
107.08590	12.0
109.06475	0.9
109.10164	6.6
111.04456	0.8
111.08002	0.6
111.11670	0.5
117.07018	3.5
119.08600	5.2
121.06499	2.8
121.10139	5.9
123.11730	2.2
124.99972	1.0
125.05949	1.3
125.13234	0.8
125.92780	0.4
133.10051	0.8
135.08054	1.0
135.11700	22.6
136.11932	0.4
137.13199	1.0
139.07529	0.8
145.10126	13.4
163.11189	31.3
164.11615	0.5
173.09500	0.6
181.12251	5.7
184.07364	6.8
209.11626	0.8
209.16035	0.4
226.04062	0.4
227.12790	32.6
239.23657	1.4
257.24759	2.6
283.15402	42.8
284.15817	1.0
313.27368	100.0
314.27792	2.0
367.48209	0.4
370.59549	0.5
475.49475	0.4
514.44708	0.4
521.38403	86.1
522.38629	3.1
554.15613	0.7
627.18335	1.1
718.45746	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48214	0.3
53.03925	1.2
53.87349	0.3
55.01872	2.0
55.05511	8.3
57.03441	8.3
57.07077	26.0
58.07391	0.3
61.02913	1.1
65.03926	0.8
67.05505	14.9
69.03405	1.5
69.06732	0.5
69.07071	8.2
69.27086	2.9
71.04990	1.7
71.08635	19.9
73.02895	1.2
73.06525	0.5
79.05496	14.9
79.09741	0.4
81.03411	1.7
81.07057	20.6
83.04988	1.9
83.08618	12.8
85.02892	1.2
85.06531	0.9
85.10181	12.1
86.09711	0.4
87.04475	0.4
89.06036	2.8
91.03959	0.3
91.05477	5.0
93.07044	26.0
95.04983	4.1
95.08607	36.5
97.02889	4.0
97.06526	2.3
97.10167	3.6
99.04456	3.4
103.05519	0.5
103.07553	1.1
105.07033	4.7
107.04956	6.7
107.08598	19.5
109.06518	1.1
109.10155	8.2
111.04447	1.9
111.08049	1.2
111.11711	0.5
113.13265	0.4
117.07021	6.2
119.08586	6.9
121.06496	4.4
121.09329	0.6
121.10140	9.3
123.11729	1.9
125.06002	2.4
130.07736	0.8
131.08556	0.3
133.08601	0.6
133.10124	2.1
135.08089	1.7
135.11693	38.0
137.13258	0.8
139.07565	1.7
139.11171	0.6
143.08528	0.4
145.06456	0.7
145.10127	21.2
151.14645	0.4
153.12738	0.5
156.07277	0.3
163.11182	53.1
164.11443	0.6
173.09624	0.7
181.12238	9.6
184.07300	1.0
191.10587	0.4
193.18593	0.3
209.11757	0.9
219.21184	0.4
227.12785	55.0
228.13162	0.6
239.23763	1.8
257.24762	1.9
283.15396	90.9
284.15643	1.2
313.27365	93.1
314.27753	1.9
328.39270	0.4
337.57056	0.4
458.49210	0.3
521.38385	100.0
522.38763	3.5
552.26166	0.4
680.68207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53437	2.6
53.03955	11.2
55.01865	4.8
55.05510	31.7
57.03431	14.1
57.07056	4.8
58.29446	2.2
61.02915	6.8
65.03921	3.0
66.76775	2.1
67.05505	75.2
68.05880	2.3
69.03431	3.9
69.07067	24.0
69.64608	10.4
69.90202	2.7
71.04973	2.6
73.46857	2.7
74.76749	2.3
77.03921	4.4
79.05495	91.4
81.03419	9.0
81.07061	78.0
83.04996	12.1
83.08595	12.6
85.02889	6.5
85.06543	6.8
86.09705	5.6
91.05486	100.0
93.07047	90.6
95.04971	19.1
95.08613	51.5
97.02887	2.8
97.06529	7.3
97.10162	8.7
99.08109	4.3
103.05470	4.4
104.27401	2.1
105.04539	3.7
105.07032	98.1
107.04951	8.9
107.08605	31.8
109.06525	4.7
109.10178	11.1
111.08081	3.5
117.07024	26.3
119.08582	69.6
121.06548	4.6
121.10152	17.9
123.08087	7.7
123.11697	3.2
125.00028	3.3
128.06241	7.4
129.07022	29.3
131.08551	29.5
133.10124	40.1
135.08086	4.7
135.11679	17.8
137.09572	2.8
141.07019	4.8
142.07759	3.0
143.08557	22.5
145.10133	33.3
147.08133	4.2
147.11684	56.9
149.13234	5.9
150.88083	2.3
151.11159	2.4
155.08549	10.1
157.10143	14.6
159.11707	24.1
161.13257	34.9
163.11176	4.6
166.07855	2.8
167.08557	5.6
169.10136	12.2
171.11670	41.3
173.13217	15.8
175.14819	13.6
181.10149	3.2
183.11703	7.7
184.07350	11.5
185.13284	13.1
187.14885	3.1
189.12784	9.5
193.10158	2.7
195.11719	4.6
197.13307	7.2
199.11006	2.7
199.14799	7.6
207.13788	14.3
209.13292	3.9
211.14906	3.8
213.16422	3.0
221.13222	4.0
223.14716	4.5
231.21069	4.6
235.15019	2.7
241.19519	24.2
246.33122	2.6
259.20593	48.8
279.15927	13.8
281.17468	59.1
315.23111	6.8
333.24249	38.3
335.23648	2.6
380.12991	2.8
419.33646	2.9
429.31598	3.1
437.34055	5.7
447.32721	11.1
453.77133	2.5
465.33801	11.6
483.34995	6.4
501.35806	2.7
521.36261	6.8
529.38983	4.4
539.29419	4.4
539.37360	86.7
540.37653	4.4
557.38379	37.8
581.52167	2.8
615.29681	3.0
701.42126	8.2
719.43121	3.0
730.08484	2.9
731.40039	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	720.4448
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
53.22806	0.1
55.05495	0.1
56.05037	0.9
57.07059	0.2
58.06302	0.1
58.06626	0.4
58.41198	0.1
59.07386	0.1
60.08165	6.2
60.35178	0.1
63.02116	0.1
67.05492	0.1
69.67583	0.4
71.07375	3.5
81.07043	0.1
83.08633	0.1
86.09708	31.2
87.10046	0.2
95.08617	0.2
98.98468	3.2
104.10743	2.0
104.46583	0.1
105.07099	0.1
125.00007	21.2
143.01036	0.1
163.01640	0.1
163.35362	0.1
166.02713	0.1
184.07343	100.0
185.07690	0.4
191.51581	0.1
242.10797	0.1
265.89499	0.1
301.48065	0.1
434.76697	0.1
496.33954	0.1
537.39056	0.1
688.30579	0.1
720.44446	7.9
721.44537	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	720.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
55.05514	13.9
57.03442	14.8
57.07080	26.1
60.08166	4.1
61.02910	3.4
62.64572	1.9
67.05507	27.1
69.03419	2.8
69.07076	10.1
70.70975	4.8
71.04981	3.8
71.07375	3.8
71.08635	27.0
73.29974	1.8
79.05514	16.5
81.03419	43.4
81.07064	31.3
83.04984	8.4
83.08620	23.8
85.02902	18.1
85.10188	10.4
85.76448	2.0
86.09711	27.0
91.05490	24.1
93.07029	13.4
95.04956	17.4
95.08593	22.0
96.81194	2.0
97.02872	3.7
97.06490	4.1
97.10164	5.7
98.98487	2.6
105.07024	16.9
107.04927	5.1
107.08586	6.7
109.06493	3.8
109.10161	10.7
111.08080	8.1
119.08585	13.2
121.10151	7.1
123.08102	2.4
123.11741	4.6
125.00007	11.7
125.09637	2.6
127.15833	2.0
129.07030	7.1
131.08543	10.2
133.10077	9.7
137.57986	2.2
147.11697	9.2
149.09599	4.4
157.10158	10.7
175.11183	9.4
184.07350	73.8
185.07626	2.7
193.12257	29.0
211.13304	54.5
223.18121	2.3
240.04060	2.2
257.24963	3.1
261.22171	2.9
267.15915	18.1
285.16962	66.8
294.40555	2.0
313.27377	72.2
465.35660	3.1
505.38846	14.7
523.39929	100.0
541.39044	6.2
720.32849	3.2
720.47888	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	721.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.9
55.01871	2.7
55.05512	15.5
57.03439	5.5
57.07072	1.9
67.05505	51.8
69.07072	11.0
79.05495	50.0
81.03419	7.8
81.07055	45.7
83.04985	7.0
83.08620	6.1
85.06556	2.6
85.07661	2.2
86.09705	5.1
86.19434	1.7
91.05484	39.0
93.07047	53.2
95.04966	10.7
95.08604	31.0
96.20869	1.6
97.06529	4.0
97.10158	2.5
98.21510	6.1
105.04517	2.1
105.07031	27.3
107.04964	4.7
107.08608	16.5
109.06507	1.9
109.10155	8.5
117.07027	6.6
119.08582	20.0
121.10178	9.9
123.08054	3.8
123.11725	3.3
125.00033	3.0
129.06992	8.7
131.08592	7.6
133.10129	8.3
135.11700	6.7
143.08553	5.8
145.10094	10.4
147.11694	24.7
149.13303	2.2
159.11726	4.0
161.09593	2.7
161.13240	8.3
167.77165	1.8
171.11700	15.0
173.13304	2.7
184.07338	11.9
189.12758	5.8
207.13829	18.4
261.22076	4.8
281.17502	46.0
335.25809	46.6
531.24323	2.6
541.38873	100.0
542.39276	3.7
560.24915	1.8
560.78839	1.9
591.26031	7.5
624.28082	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	722.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
55.01870	2.1
55.05510	7.3
57.03438	9.1
61.02922	0.6
61.83132	0.6
65.03938	0.7
67.05508	14.5
69.03425	2.7
69.07062	3.7
71.04980	3.1
73.02943	1.0
77.04806	0.6
79.05492	17.1
81.03422	44.1
81.07057	15.6
83.01366	0.8
83.04993	5.3
83.08624	13.3
85.02902	3.5
85.06539	1.1
91.05485	14.9
93.06484	1.1
93.07049	20.7
95.04974	17.9
95.08610	17.0
95.32796	0.7
97.02880	4.6
97.06519	3.7
97.10188	2.0
99.04455	3.1
105.07037	11.3
107.04964	8.5
107.08604	14.1
109.06530	3.9
109.10159	3.4
111.04457	2.9
111.08098	4.8
113.06047	1.5
115.05407	1.4
117.07017	4.9
119.08580	13.5
121.06518	5.0
121.10136	8.8
123.04427	0.9
123.08066	2.0
125.05997	2.6
125.09654	1.9
127.07591	0.7
129.06999	5.4
130.95190	0.8
131.05020	0.8
131.08577	5.9
133.06497	2.6
133.10143	5.9
135.08061	2.1
135.11697	25.2
137.09656	1.2
139.07552	1.4
142.07806	1.2
143.08571	1.3
145.10124	17.5
147.04456	0.8
147.08067	3.1
147.11649	5.9
149.09639	3.4
153.12782	1.6
155.08475	0.9
157.10144	6.0
163.03970	1.4
163.11188	37.4
165.09085	1.0
173.09659	1.7
175.11195	6.1
177.05467	1.3
181.12230	6.3
191.10674	1.3
193.12260	15.2
205.12248	1.4
209.11765	2.4
211.13330	5.9
223.13309	2.0
227.12787	37.1
231.13896	0.8
241.14424	1.9
249.14864	1.2
265.14410	1.2
267.15930	80.3
268.16254	2.0
283.15405	53.9
284.15643	0.7
285.17044	5.4
309.17172	0.8
315.17865	3.3
383.22302	2.3
401.23227	1.6
457.25909	5.5
475.26947	100.0
476.26929	3.3
493.27982	9.1
507.29498	2.7
517.27753	1.5
525.30841	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	722.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01883	4.0
55.05273	0.6
55.05515	8.8
57.03195	0.6
57.03442	7.3
59.04987	1.3
61.02917	0.7
62.30848	0.3
65.03944	0.7
67.05508	10.1
69.03424	1.7
69.07063	2.9
69.24688	3.7
71.01345	0.8
71.05003	2.0
71.05315	0.4
73.02915	0.4
79.05495	12.1
81.03423	32.6
81.06593	0.6
81.07060	10.6
81.43948	0.4
83.01337	2.8
83.04980	5.6
83.08624	9.2
85.02879	2.1
85.06520	0.9
90.69074	0.4
91.05488	10.3
93.07043	11.2
93.07635	0.6
95.04382	0.7
95.04974	10.3
95.08608	5.6
97.02901	2.4
97.06545	2.3
97.10178	5.1
99.04486	0.7
105.07034	8.4
105.07695	0.7
107.04958	6.9
107.08598	5.7
109.02861	1.0
109.06528	3.4
109.10171	3.1
111.04424	1.7
111.08089	2.9
113.02339	0.5
115.05463	0.5
117.07024	4.1
119.04924	0.6
119.08595	7.2
121.06498	3.6
121.10143	4.4
123.04462	1.1
123.08081	4.0
125.02325	0.6
125.05985	0.7
125.09639	3.8
129.07025	4.2
130.07784	0.7
131.04945	1.3
131.08578	5.3
133.06506	1.3
133.10129	3.1
135.04408	0.5
135.08075	1.8
135.11687	4.0
137.05972	0.9
137.09654	1.2
143.08556	1.2
143.34906	0.4
145.02843	0.9
145.06509	1.7
145.10126	8.2
146.44019	0.4
147.04410	0.7
147.08049	3.2
147.11693	2.5
149.06038	0.7
149.09636	2.7
151.11230	0.5
153.09090	0.7
153.12744	1.7
155.08549	1.2
157.06465	0.5
157.10124	3.6
159.08044	1.1
159.11723	1.2
160.18768	0.4
161.06013	2.3
161.09569	0.8
163.11194	9.0
165.12784	0.6
165.90575	0.4
169.06552	0.5
169.10085	0.6
171.08078	0.8
171.11769	0.4
173.09653	2.1
173.11763	0.5
175.11211	3.5
177.05508	1.1
181.12245	1.3
183.11681	0.4
184.07433	0.5
185.09647	0.6
189.09177	0.8
189.11186	1.5
191.10645	1.9
193.12251	7.5
195.11667	0.5
199.11270	0.5
201.09079	0.4
205.12332	1.0
206.19754	0.4
209.11734	1.9
211.11137	0.9
211.13341	1.2
213.12828	0.8
225.12720	0.5
227.12668	2.2
231.13831	1.6
237.10899	0.5
243.13766	1.1
249.14896	1.1
265.14368	0.8
267.15918	20.9
269.15524	0.6
271.13272	0.7
273.14819	1.4
283.15411	16.6
289.14337	2.3
301.14185	0.5
309.17026	0.5
319.20538	0.6
331.66278	0.4
337.21774	0.5
347.19971	0.9
355.22696	1.9
365.21152	2.8
383.22186	13.7
401.23126	5.8
407.24249	0.6
419.24252	1.4
421.23764	0.8
429.26794	0.6
431.24536	0.9
439.24899	1.5
457.25891	23.8
475.26944	100.0
476.27289	3.3
493.27963	9.0
499.27094	0.5
501.93369	0.4
507.29160	0.6
517.27789	1.5
541.28485	0.4
571.28809	0.4
583.28772	0.8
601.30347	0.7
656.20050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.1
56.05037	0.8
57.03423	0.1
57.07062	0.4
58.06625	0.4
59.07402	0.1
60.08168	6.2
61.02927	0.2
67.05510	0.5
69.07063	0.2
69.76263	0.5
70.06571	0.2
71.04968	0.1
71.07378	3.3
71.08640	0.3
72.34476	0.1
73.02925	0.1
79.05486	0.2
81.03391	0.1
81.07058	0.6
83.08617	0.1
85.10186	0.2
86.09711	28.9
87.10058	0.1
91.03964	0.2
91.05490	0.2
93.07038	0.2
95.08609	0.3
97.02879	0.1
97.06583	0.1
98.98469	3.0
104.10740	2.2
105.07018	0.1
107.08634	0.1
109.10159	0.2
120.92153	0.1
123.11695	0.1
125.00011	18.6
131.08557	0.1
133.10133	0.2
133.81871	0.1
135.11711	0.1
143.01062	0.1
144.55989	0.1
166.02774	0.1
184.07350	100.0
185.07715	0.5
193.12109	0.1
234.37276	0.1
249.11047	0.3
287.18616	0.2
313.27475	0.3
323.78723	0.1
344.93991	0.1
355.58902	0.1
467.18985	0.2
481.38950	0.4
496.33960	0.2
497.30844	0.2
525.40936	0.3
690.26782	0.2
690.46814	0.9
722.49658	8.4
723.42346	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	723.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74866	1.2
70.75193	1.0
80.55949	0.6
94.33987	0.8
115.47495	0.6
115.51381	0.6
119.40201	0.7
202.89131	1.5
238.95497	1.3
242.46942	0.7
286.79501	0.7
348.23242	0.8
381.07953	100.0
382.08340	1.9
423.93353	0.8
461.64899	0.8
470.78207	0.7
729.23907	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20782	0.7
66.17329	0.7
71.50742	1.1
101.19079	0.7
107.32300	0.8
109.81308	0.7
111.02890	0.7
127.02591	0.6
142.75554	0.7
289.20358	0.8
360.44705	0.8
381.07947	100.0
391.30731	0.8
488.38461	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01858	0.3
55.05504	0.9
57.03429	1.3
57.07080	2.7
58.59948	0.3
59.03453	0.3
60.08149	0.9
61.02929	3.6
67.05499	1.3
69.03433	2.0
69.07063	1.0
71.01345	0.3
71.04997	0.3
71.07355	0.4
71.08636	2.3
73.02921	2.6
77.28011	0.3
79.05488	1.0
81.03408	1.0
81.07071	1.8
83.04992	0.4
83.08617	0.9
85.02906	3.4
85.10180	1.2
86.09709	3.9
87.04456	0.3
87.10027	0.6
90.08700	0.3
91.03956	1.9
91.05491	0.5
93.07034	1.1
95.04984	0.6
95.08610	3.6
97.02885	3.0
97.10159	0.6
98.21523	0.6
98.98482	0.3
99.04468	1.2
101.02380	1.3
103.03954	0.3
107.08589	1.2
109.02863	0.7
109.10168	1.1
111.04454	0.3
117.07024	0.3
119.08603	0.6
121.10163	0.6
123.08063	0.4
125.00003	3.5
127.03912	0.9
133.10086	0.3
135.11710	2.5
144.06635	0.3
145.04982	0.5
145.10098	1.5
160.11269	1.1
163.11180	3.6
179.14340	0.8
181.12288	0.9
184.07341	14.1
185.04196	0.7
185.07716	1.7
203.05363	0.4
219.09990	0.4
227.12781	3.1
236.80740	0.3
239.23833	0.4
243.08415	2.2
249.10988	8.1
249.13403	0.5
258.09030	1.1
263.11868	0.3
283.15698	0.4
305.13684	1.7
313.27423	0.9
364.29797	0.6
467.18927	12.1
497.30783	5.9
561.37836	0.6
648.26093	0.4
688.99896	0.4
723.42853	100.0
724.43292	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	723.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
53.64072	0.3
55.05507	0.8
56.05033	0.7
57.03434	1.6
57.07079	4.1
58.06603	0.5
59.02332	0.3
60.07880	0.4
60.08170	5.8
61.02928	4.0
61.08496	0.6
67.05189	0.3
67.05504	1.8
69.03425	2.3
69.07070	1.4
70.43872	0.3
70.68106	1.0
71.01347	0.5
71.04966	0.5
71.07383	3.2
71.08642	3.3
72.07697	0.5
73.02924	2.7
79.05490	0.8
81.03420	1.5
81.07054	2.9
82.79473	0.3
83.08636	1.8
85.02911	5.0
85.10180	1.6
86.09708	31.7
87.10038	4.3
88.84386	0.3
91.03957	2.7
91.05489	0.6
93.07041	0.9
95.08613	2.7
97.02905	3.7
97.10176	0.7
98.98468	3.3
99.04467	0.9
101.02378	1.2
104.10742	2.8
105.07037	0.5
107.04926	0.4
107.08603	0.9
108.14350	0.3
109.02869	0.9
109.10157	1.3
110.40192	0.3
110.59924	0.3
111.08122	0.4
119.08575	0.4
123.11700	0.6
125.00009	22.0
126.00345	1.0
127.03916	0.9
133.10077	0.5
135.11681	1.3
145.10121	0.7
163.11189	1.2
181.12213	0.4
184.07347	100.0
185.04256	0.5
185.07703	13.5
227.12787	1.5
243.08330	1.9
249.10988	10.7
284.87085	0.3
305.13574	0.9
313.27411	1.3
364.02817	0.3
431.56381	0.4
449.37854	0.3
467.18979	5.2
482.39117	0.4
497.30905	7.8
561.37494	0.4
626.12421	0.4
691.46533	0.9
722.49316	0.4
723.42474	89.0
724.42938	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	723.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01868	3.9
55.05514	20.9
57.03443	9.7
57.07061	2.1
61.02930	12.8
63.07909	1.9
65.03941	2.0
67.05509	38.8
69.03426	8.8
69.07070	15.8
69.73290	6.3
69.73703	4.3
71.05000	7.5
73.02911	5.6
79.05497	32.2
81.03419	7.3
81.07057	40.6
83.04985	4.4
83.08617	12.5
85.02925	11.8
85.06570	3.6
91.03966	6.6
91.05486	27.5
92.05787	1.8
93.07047	33.2
95.04975	6.0
95.08612	27.0
95.85386	1.8
97.02896	11.0
97.06531	6.1
97.10175	13.4
98.21431	2.4
99.04438	2.3
105.04613	1.8
105.07043	26.7
107.08601	20.6
109.06518	3.9
109.10151	16.8
111.08064	3.1
115.05494	2.3
117.07026	14.9
119.08587	25.2
121.06503	3.4
121.10130	17.4
123.08070	2.9
123.11740	3.6
125.09637	8.9
127.03934	3.0
128.06268	2.6
129.07027	12.8
131.08574	27.1
133.06506	2.8
133.10146	14.5
135.08075	4.8
135.11687	5.3
137.09621	2.5
139.11189	3.7
141.06993	4.9
143.08560	16.2
145.06505	2.7
145.10133	24.1
147.07996	2.3
147.11679	9.4
149.13231	1.7
155.08551	8.4
157.10136	16.7
159.08037	3.2
159.11674	21.3
161.09621	1.8
161.13272	5.7
163.11128	2.3
165.09203	1.8
167.08560	3.1
169.10132	8.1
171.08093	2.9
171.11714	13.9
173.09634	3.1
173.11922	2.0
173.13200	9.8
175.11194	2.4
175.14868	2.9
181.10143	4.7
183.11729	8.9
185.13278	6.7
187.14816	4.8
189.11211	2.7
193.10208	3.9
195.11673	6.0
197.13254	6.3
199.14809	4.3
201.12779	2.6
207.11662	2.4
209.13275	5.7
211.14886	3.9
213.16447	2.5
221.13339	2.6
223.14911	3.8
227.12714	5.5
232.97702	1.6
237.16431	2.7
252.61943	1.7
259.15356	2.5
259.20587	4.0
283.20590	3.1
285.22137	6.9
287.23682	1.9
297.22055	2.4
299.20004	2.0
299.23492	4.1
301.21390	2.3
303.23019	2.1
325.21774	2.1
365.23804	2.3
387.25867	1.9
415.30316	2.4
423.32852	2.6
433.30853	8.9
443.27698	2.1
451.31985	10.9
469.33408	9.7
487.34451	4.6
507.34491	5.3
515.37183	2.3
517.34912	1.8
525.35883	43.4
531.93347	1.8
543.36847	100.0
544.37329	2.4
561.37866	67.7
669.38861	2.2
687.41815	3.1
705.41614	4.3
723.39264	26.8
745.40717	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	723.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82920	2.6
53.03930	3.7
55.05515	23.8
57.03429	12.5
57.07078	4.0
65.03938	2.9
65.72737	2.6
67.05509	77.2
69.03419	7.6
69.07071	14.2
70.97245	5.2
71.04996	21.1
79.05499	43.0
81.03429	22.6
81.07062	100.0
83.04995	13.7
83.08618	9.9
85.02903	6.2
85.06525	8.7
86.09704	7.5
88.76479	2.6
91.05487	35.9
93.07051	47.0
95.04937	6.0
95.08609	35.8
97.02897	5.4
97.06512	5.1
97.10156	5.2
105.07033	20.5
107.04924	2.9
107.08604	25.5
109.06470	3.3
109.10162	14.4
111.04449	5.4
117.07002	8.4
119.08600	15.3
121.10159	18.4
123.11699	14.1
125.09596	3.3
129.05493	4.8
131.08553	12.8
133.10114	22.0
135.11693	11.0
145.10094	6.3
147.11671	7.7
149.13272	7.1
151.11142	7.8
157.10155	3.5
159.11722	8.8
161.13268	5.0
171.11743	2.8
173.04402	9.4
173.13277	3.5
175.11223	3.2
177.12691	2.9
183.13867	5.8
184.07321	22.6
185.07791	3.7
187.13292	7.5
195.13799	4.5
201.14764	3.7
243.15999	6.0
261.22156	4.8
269.17374	8.1
307.12460	3.6
335.25821	38.6
359.49869	2.6
387.25327	3.3
445.24356	8.2
450.35428	2.7
503.37204	51.5
505.38928	9.3
517.38586	6.9
529.39038	17.1
561.33374	4.6
561.41571	53.9
581.09216	3.5
673.42255	4.1
691.43976	4.0
705.45209	11.2
723.45062	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.01866	2.0
55.05515	11.5
57.03184	1.1
57.03440	10.9
57.77785	0.6
65.03943	0.9
67.05180	0.9
67.05513	15.9
69.03439	3.4
69.07068	4.1
69.80772	3.5
71.04981	3.3
76.10064	0.7
79.05497	14.5
81.03425	70.3
81.06597	1.2
81.07063	16.1
81.21696	0.8
83.04988	8.1
83.08624	21.6
85.02910	8.2
85.06555	1.5
91.04909	1.1
91.05488	18.5
93.07055	11.8
95.04976	23.7
95.08602	6.8
97.02863	3.2
97.06529	3.2
97.10170	5.7
98.21571	0.8
105.07043	13.3
107.04970	7.0
107.08590	7.6
109.06526	3.6
109.10157	4.2
110.18867	0.7
111.04449	1.9
111.08079	9.6
113.05977	1.4
115.05459	1.1
117.07004	3.1
119.08601	12.9
121.06518	3.8
121.10150	6.8
123.04458	0.9
123.08035	3.4
123.11680	1.4
125.09643	3.1
129.07024	9.8
131.04951	1.3
131.08582	10.4
133.06528	3.6
133.10155	7.6
135.08026	1.1
135.11696	1.1
137.09648	2.1
142.07806	1.9
143.08525	1.2
145.06529	4.7
145.10135	2.9
147.08058	3.8
147.11702	8.5
149.09628	5.0
157.06575	1.0
157.10136	11.1
159.11734	0.9
163.11168	1.9
165.12813	2.2
169.10104	1.0
171.10304	0.8
171.11694	0.8
173.09567	0.7
175.11185	11.0
184.07327	1.2
185.09659	0.7
187.71570	0.7
189.12688	0.9
193.10464	1.6
193.12257	30.4
197.13286	1.3
205.12230	0.8
209.09651	0.7
211.13304	13.4
212.13519	0.9
215.14452	0.9
227.12772	1.3
229.14372	2.8
231.13805	1.0
237.12718	1.5
249.14993	1.7
255.13770	2.2
259.13257	0.7
259.56839	0.7
264.95407	0.8
267.15936	100.0
268.16431	1.0
273.14856	3.6
283.15302	1.1
285.14047	1.2
285.17004	15.0
339.23169	0.8
341.21014	0.9
349.21741	2.7
357.23962	0.9
367.22629	10.5
385.23749	9.7
403.24890	3.2
405.24252	0.9
433.25867	13.1
437.25110	0.9
441.26459	6.5
459.27454	70.9
460.27881	2.6
477.28549	44.2
478.28537	1.2
501.28265	1.3
519.29858	1.3
567.28113	0.8
651.33356	0.7
660.09064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.7
53.03952	5.9
55.01872	2.4
55.05266	1.4
55.05512	16.3
57.03440	18.0
57.07079	2.9
59.87342	0.8
61.02927	4.6
65.03945	2.3
67.05509	58.0
69.03419	3.5
69.07071	14.8
69.26031	7.0
71.04985	2.9
71.08639	1.1
73.02926	1.6
79.05497	40.0
81.03421	78.1
81.07061	56.6
82.03745	1.3
83.04993	4.9
83.08618	21.3
85.02896	3.8
85.06535	2.0
87.68627	0.9
88.40281	0.9
91.03935	1.7
91.05487	29.4
93.07049	42.3
95.04969	24.8
95.08609	39.6
97.02911	3.5
97.06540	3.6
97.10161	6.9
99.08109	1.3
105.04558	1.0
105.07038	22.6
107.04960	7.4
107.08601	24.7
109.06517	4.2
109.10165	20.1
111.04434	1.8
111.08078	6.6
115.05427	1.4
117.07007	8.6
119.04974	1.2
119.08587	20.1
121.06482	4.2
121.10151	23.4
123.04449	2.5
123.08081	3.0
123.11697	7.6
124.99967	0.8
125.09644	3.7
129.07034	9.4
131.08580	16.7
133.06479	2.9
133.10150	12.9
135.08066	2.1
135.11694	12.2
137.09616	3.7
137.13257	1.8
142.07761	2.8
143.08597	2.0
145.10127	8.2
147.04428	1.4
147.08072	3.0
147.11693	13.1
149.09619	4.7
149.13280	6.1
151.11212	1.0
151.14861	1.0
154.93004	0.9
155.08551	0.9
157.10144	9.1
159.11684	5.8
160.11145	4.5
161.09595	1.0
161.13281	3.8
163.11206	2.0
163.14819	3.3
165.12817	2.1
169.10269	0.9
171.11699	1.3
173.11958	0.9
173.13245	4.2
175.11195	8.2
175.14832	3.3
177.16316	0.9
182.46906	0.9
184.07332	1.8
185.09637	1.1
185.13287	1.4
187.14789	2.7
189.11250	2.3
189.16429	0.9
191.10608	0.8
193.12245	22.0
201.12910	0.9
201.16354	1.2
205.15982	0.8
211.13177	1.9
227.12767	5.6
233.22810	1.3
235.13339	2.8
235.51694	1.0
243.21123	5.4
249.14946	2.4
258.08890	5.2
259.13354	1.5
261.22162	17.3
267.15927	92.4
273.14865	1.9
279.23224	1.4
285.22168	0.9
299.23721	1.3
301.14417	1.8
301.25269	5.5
309.16946	3.7
317.24799	4.0
335.25812	100.0
336.26108	2.2
403.24582	0.9
421.26038	1.8
435.27448	1.1
435.32562	3.5
449.28922	1.1
453.33670	5.9
471.14780	0.9
471.34695	3.2
527.37335	47.9
528.37598	1.7
545.38354	28.9
569.38361	4.0
635.39392	1.5
724.45715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.7
57.07079	0.1
57.83711	0.1
58.06636	0.5
59.07404	0.1
60.08166	6.1
64.58958	0.1
67.05505	0.1
69.46107	0.6
70.06580	0.1
71.07375	3.1
71.08613	0.1
79.05507	0.2
80.18436	0.1
80.55860	0.1
80.63083	0.1
82.41839	0.1
86.09710	29.9
87.10041	0.2
93.16843	0.1
98.97868	0.2
98.98477	2.9
101.98371	0.1
104.10750	2.2
116.15787	0.1
117.06973	0.1
125.00010	20.0
166.02609	0.1
177.81403	0.1
184.07347	100.0
185.07782	0.6
496.34033	0.2
688.45496	10.3
689.45282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92190	0.3
55.05488	0.3
55.86370	0.2
56.05013	0.9
57.03404	0.3
58.06606	0.3
58.98856	0.2
59.07366	0.3
60.08168	6.1
67.05511	1.4
69.07060	0.5
71.07053	0.3
71.07380	3.8
71.09495	0.2
71.52979	0.4
78.15142	0.2
79.05466	0.7
81.07052	0.6
83.08601	0.4
86.09713	32.3
87.10035	0.3
91.05466	0.7
93.07028	1.0
95.08579	0.6
98.98471	3.6
104.10752	3.2
105.06997	0.5
107.04945	0.3
107.08525	0.4
109.10139	0.3
115.51785	0.2
119.08569	0.5
121.10149	0.4
125.00014	20.9
135.11674	0.3
153.62495	0.3
163.11163	0.4
184.07355	100.0
185.07681	0.9
391.64648	0.3
465.35611	0.3
516.79138	0.3
529.35388	0.8
581.77789	0.3
726.43451	14.6
727.44025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92190	0.3
55.05488	0.3
55.86370	0.2
56.05013	0.9
57.03404	0.3
58.06606	0.3
58.98856	0.2
59.07366	0.3
60.08168	6.1
67.05511	1.4
69.07060	0.5
71.07053	0.3
71.07380	3.8
71.09495	0.2
71.52979	0.4
78.15142	0.2
79.05466	0.7
81.07052	0.6
83.08601	0.4
86.09713	32.3
87.10035	0.3
91.05466	0.7
93.07028	1.0
95.08579	0.6
98.98471	3.6
104.10752	3.2
105.06997	0.5
107.04945	0.3
107.08525	0.4
109.10139	0.3
115.51785	0.2
119.08569	0.5
121.10149	0.4
125.00014	20.9
135.11674	0.3
153.62495	0.3
163.11163	0.4
184.07355	100.0
185.07681	0.9
391.64648	0.3
465.35611	0.3
516.79138	0.3
529.35388	0.8
581.77789	0.3
726.43451	14.6
727.44025	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
53.03942	3.0
55.01863	1.8
55.05275	0.8
55.05515	11.9
56.85339	0.5
57.03442	9.2
57.07064	2.9
57.08086	0.6
61.02929	3.3
61.90808	0.7
65.03941	1.8
65.31445	0.7
67.05508	49.4
69.03436	0.8
69.07068	14.2
69.19775	6.0
71.01349	0.7
71.04993	3.2
71.08633	0.9
72.68053	0.6
73.02932	0.7
77.03914	0.7
79.05495	31.1
81.03415	2.2
81.07058	58.1
82.72488	0.6
83.05004	3.8
83.08614	8.9
85.02899	1.8
85.06555	3.0
86.09702	2.2
91.03967	1.5
91.05483	15.7
93.07047	47.6
94.07351	0.7
95.04968	2.8
95.08609	27.7
97.02867	1.4
97.06518	6.5
97.10171	1.6
99.08100	1.5
105.04510	1.1
105.07040	8.7
107.08597	25.2
109.06514	1.7
109.09477	0.9
109.10163	9.6
111.08083	3.7
111.11732	0.9
113.09704	0.7
116.96468	0.6
117.07022	6.1
119.08595	6.6
121.10143	19.3
123.08064	0.8
123.11717	3.1
125.00029	1.3
125.09611	1.0
129.07057	1.0
131.08577	8.2
133.10126	7.5
135.08165	0.8
135.11696	10.3
139.11194	1.3
145.10109	3.2
147.11707	3.6
149.12059	1.1
149.13258	16.8
151.11224	0.8
159.11702	8.9
161.13295	2.2
163.14821	2.3
167.14381	0.9
173.13278	2.6
177.12794	2.4
184.07335	6.4
185.18674	0.6
194.86894	0.6
195.13817	6.4
201.16394	1.0
213.14828	0.7
229.14322	0.8
243.21202	1.6
261.22156	7.0
267.15915	1.6
269.17480	49.8
270.17899	0.8
276.77771	0.7
293.21490	0.7
317.24771	1.6
335.25806	48.1
336.26260	1.1
379.49152	0.6
431.24591	0.6
437.34317	1.5
455.35199	0.7
465.36099	1.2
511.37759	0.8
529.38898	100.0
530.39331	2.9
537.37628	0.8
547.40186	1.4
726.44775	14.9
727.46082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.5
70.64902	6.1
77.73157	2.1
79.05483	7.8
80.04986	3.3
81.03418	2.3
85.31626	2.3
87.62395	2.1
91.05488	9.0
93.05811	2.8
93.07047	10.4
94.06570	17.1
103.05483	6.8
105.05843	2.4
108.04478	3.5
108.08121	24.5
109.10159	3.3
120.08112	41.5
122.06028	58.2
127.09960	2.2
134.06010	5.8
136.07588	41.5
138.05496	3.9
147.04439	5.8
148.07578	54.5
159.34216	2.3
161.37889	2.7
165.09151	9.1
166.08620	3.3
172.07480	2.5
175.54208	2.2
184.07394	3.9
205.43193	2.3
211.08698	6.7
221.10818	6.5
225.10356	3.1
227.08141	2.4
235.08752	6.3
237.10101	2.3
247.08641	4.8
248.09526	4.4
249.10223	35.6
250.10951	3.7
251.08081	2.7
251.11862	4.2
252.08546	4.1
261.10287	6.2
263.11810	3.0
265.09625	3.7
275.08264	5.9
277.09720	24.8
278.10388	2.9
291.11176	3.6
293.09406	3.5
309.12485	15.8
310.13376	3.5
312.11728	2.4
314.13080	2.4
322.13608	3.5
324.11819	3.0
325.13077	4.0
326.13077	6.7
328.14529	4.8
337.15903	3.1
338.12973	5.1
338.16650	6.0
339.14017	4.4
340.10925	7.6
340.14526	8.9
341.11575	4.3
341.15326	5.5
342.12442	4.9
342.16168	3.1
343.13330	3.0
350.12885	4.5
351.13849	3.5
352.14465	6.5
353.11652	6.1
353.15414	3.3
354.12463	14.9
354.16089	5.0
355.13126	11.0
356.14038	12.5
356.17773	3.7
363.14029	2.4
364.14468	14.8
366.12177	3.7
366.16064	8.2
367.13202	13.4
368.10025	5.2
368.13998	29.8
369.14783	17.5
370.15469	7.9
371.16550	3.4
380.14044	7.3
382.11243	15.2
382.16025	20.1
383.16382	6.5
384.17300	17.2
392.14026	9.6
394.15622	7.1
395.12811	4.0
396.13406	19.4
397.14215	7.9
398.18863	27.5
408.13605	4.1
410.14899	21.4
411.15738	4.2
412.16632	19.7
413.13654	2.9
414.14450	5.1
415.15213	5.3
420.13568	9.2
426.13831	5.1
426.18726	6.2
428.16019	13.1
438.14462	67.3
439.14978	3.2
442.17746	9.4
444.19672	14.3
452.16150	9.1
456.15576	84.3
458.17212	9.5
470.16949	15.2
476.18124	25.0
488.18195	28.6
563.22699	4.8
577.24658	4.8
579.26404	4.1
591.22412	56.9
595.25488	21.7
605.24176	4.8
623.24957	78.6
624.25494	3.1
633.22931	2.6
641.25903	15.1
651.24103	11.5
665.25995	14.6
677.22656	5.2
683.27112	87.3
684.27728	2.6
695.23486	28.5
709.24780	17.5
727.26019	100.0
728.26495	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	727.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20285	0.5
53.03948	0.5
55.01866	0.7
55.05510	1.6
57.03428	1.4
59.04992	0.8
60.08170	0.6
61.02934	3.4
67.05508	3.3
69.03428	2.7
69.07067	1.7
69.15453	3.1
69.15865	1.5
71.04988	1.6
72.77760	0.4
73.02924	2.4
79.05486	3.6
81.03416	5.0
81.07061	3.7
83.04982	1.0
83.08613	1.8
83.09098	0.5
85.02901	3.7
86.09710	2.6
91.03967	1.7
91.05470	2.8
93.07054	3.6
95.04975	2.0
95.08608	2.7
97.02888	3.3
97.06528	1.4
99.04465	0.9
100.54303	0.5
101.02344	0.8
105.07040	2.8
107.04940	0.9
107.08604	2.3
109.02888	1.1
109.06538	0.9
109.10174	1.5
117.06959	0.7
119.04976	0.5
119.08601	2.0
121.06493	0.7
121.10158	2.1
125.00001	1.6
127.03950	1.3
129.07016	0.6
131.08557	1.5
133.10115	1.8
135.11694	2.9
145.10132	1.7
147.04414	1.0
147.11708	1.4
149.09657	1.6
153.05571	0.5
157.10173	1.1
163.11194	2.7
165.09158	1.5
168.74969	0.5
175.11298	0.8
175.28432	0.5
184.07359	7.4
185.07709	1.3
193.12320	2.0
201.09218	0.6
203.10692	0.5
205.12241	0.7
211.13300	0.5
227.12833	2.3
231.10042	0.6
243.08435	2.6
249.10945	4.9
267.15915	0.7
268.16397	0.6
269.17542	0.8
281.13739	0.7
283.15106	2.5
305.13776	1.8
462.29416	1.2
467.18875	10.0
467.25244	0.7
469.20435	2.0
499.21860	1.0
501.23105	13.1
519.33325	0.7
565.29901	1.1
627.03876	0.5
628.45880	0.6
727.35120	100.0
728.35895	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	727.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01862	0.7
55.05518	1.5
56.37041	0.3
57.03444	1.7
59.04988	0.8
61.02934	3.7
64.67143	0.4
67.05511	2.8
69.03433	2.2
69.07076	0.8
70.31683	0.8
71.01367	0.5
71.05003	1.7
73.02924	2.7
76.17065	0.3
79.05501	2.8
81.03430	4.4
81.07066	3.0
81.69864	0.3
83.01298	0.4
83.04980	1.0
83.08624	1.0
85.02913	4.5
85.06564	0.4
86.09701	0.4
87.04477	0.6
91.03966	2.6
91.05474	3.2
93.07059	2.4
95.02541	0.3
95.04963	1.6
95.08607	1.3
97.02898	3.4
97.06543	0.9
97.10158	0.4
99.04468	0.9
101.02398	1.6
103.03952	0.4
105.07066	1.5
107.04967	1.1
107.08627	1.6
109.02907	0.9
109.06528	0.6
109.10184	0.9
109.96933	0.3
111.08112	0.7
117.07045	0.5
119.04960	0.5
119.08593	1.5
121.06511	0.4
121.10166	1.6
123.08103	0.8
125.09661	0.3
127.03941	1.4
129.07014	0.8
131.08592	1.0
133.10144	1.0
135.08084	0.6
135.11710	0.9
137.09639	0.5
145.04965	0.4
145.10136	1.2
147.04436	1.4
147.11699	0.9
149.09645	1.3
151.07568	0.6
157.10112	0.8
163.11209	1.8
165.09132	2.8
167.07159	0.4
173.09685	0.5
175.07732	0.7
175.11259	0.9
181.12285	0.4
184.07405	1.1
185.04242	0.4
191.10730	1.0
193.12288	1.3
197.15375	0.3
203.05363	0.4
209.11865	0.5
211.13225	0.3
217.08505	0.4
221.98718	0.3
225.14917	0.4
243.08429	2.4
245.08189	0.8
267.15958	1.1
283.15192	4.5
311.44000	0.3
339.17764	0.8
368.25095	0.4
399.14670	0.5
448.28259	0.7
467.18933	9.1
469.20416	0.4
480.30627	0.4
487.06250	0.4
494.77887	0.4
501.23044	9.9
507.78595	0.3
565.29730	0.6
727.35150	100.0
728.35657	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	727.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19521	0.3
53.03956	0.5
55.01866	0.7
55.05501	1.0
57.03419	0.5
57.07077	2.4
61.02940	0.4
65.03954	0.3
67.05183	0.4
67.05513	5.6
69.03435	2.7
69.07070	1.7
71.53258	0.4
73.02903	0.4
79.05482	0.8
81.03438	1.7
81.07070	3.6
83.04993	0.3
83.08597	0.4
85.02440	0.4
85.02914	5.8
85.06550	26.4
87.00852	2.4
91.05479	1.0
93.07044	1.1
95.08620	2.5
97.02903	1.8
97.06546	0.4
97.10178	0.4
99.04464	1.0
99.08097	0.9
105.01889	1.9
105.07030	0.5
107.08586	1.2
109.02885	1.6
109.10181	4.5
111.11742	0.4
114.34113	0.3
116.96012	0.3
119.08568	2.0
121.10106	0.6
122.07286	0.9
123.11735	1.5
125.09622	0.9
127.03935	3.1
129.01863	0.3
135.11728	0.8
137.09624	7.3
137.13248	1.1
145.04965	1.2
147.04439	0.3
149.09630	1.3
149.13263	1.1
159.02844	0.5
163.14827	0.4
165.09125	100.0
166.09470	1.0
176.45616	0.3
177.09048	0.4
177.16426	0.3
179.10738	0.9
203.10681	0.6
205.12311	3.1
231.05115	0.5
266.14365	0.3
279.26895	0.4
291.26871	2.0
297.27927	0.6
309.27924	0.7
344.00763	0.3
357.28021	0.3
359.29446	1.1
425.34155	2.8
443.35254	18.9
444.35522	0.6
461.36234	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	728.4492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05037	0.8
58.06376	0.2
58.06628	0.5
59.07377	0.2
60.08170	6.4
63.73760	0.2
67.05502	0.5
70.78412	0.5
70.78764	0.2
71.07375	3.6
81.07053	0.5
86.09710	30.7
87.10066	0.3
91.05473	0.4
93.06995	0.2
95.08616	0.3
98.98469	3.2
104.10755	2.5
121.10103	0.2
125.00011	20.6
164.15097	0.2
166.02640	0.3
184.07349	100.0
185.07726	0.6
728.45074	8.3
729.46277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	0.8
58.06624	0.6
59.07409	0.3
60.08170	5.9
67.05476	0.2
69.07073	0.2
69.62552	1.2
71.07386	2.9
76.71833	0.2
79.05498	0.3
81.07077	0.4
86.09714	29.5
91.05508	0.3
93.07080	0.3
95.08636	0.3
98.98469	3.2
104.10755	1.8
104.30290	0.2
105.07054	0.4
107.08601	0.2
111.66675	0.3
125.00017	19.1
136.56551	0.2
156.98152	0.2
184.07356	100.0
185.07721	0.6
196.13420	0.3
280.28116	0.2
388.75778	0.2
419.36618	0.3
572.27448	0.2
626.95984	0.2
723.50488	0.2
728.44916	7.3
729.46021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69178	0.1
55.05510	0.3
56.05042	0.7
58.06620	0.6
59.07383	0.2
60.08167	6.9
65.02752	0.1
67.05511	0.8
69.07066	0.4
70.06593	0.2
70.70978	0.2
70.71326	0.3
71.07378	3.7
79.05482	0.3
81.03419	0.3
81.07048	0.5
83.08617	0.3
85.57251	0.1
86.09711	33.6
88.72695	0.1
91.05500	0.4
93.07045	0.7
95.05016	0.2
95.08616	0.5
97.06550	0.2
97.10177	0.2
98.98466	3.6
104.10065	0.2
104.10749	3.0
105.07056	0.2
107.04949	0.1
107.08622	0.3
109.10163	0.3
121.10228	0.2
125.00013	21.4
135.11739	0.1
142.79994	0.1
143.01076	0.2
145.10112	0.3
163.11188	0.3
166.02715	0.2
179.77237	0.1
184.07349	100.0
185.07652	0.4
193.12160	0.1
227.12897	0.2
310.58029	0.1
335.25916	0.2
448.21436	0.2
466.22632	0.1
502.33194	0.2
503.37259	0.8
520.34192	0.3
545.38507	0.2
728.44965	14.2
729.45178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04974	0.1
55.05526	0.3
56.05038	0.7
58.06330	0.3
58.06627	0.5
59.07388	0.2
60.08167	6.0
63.97261	0.1
67.05505	0.8
69.07063	0.4
69.82887	0.6
70.06595	0.2
71.07375	3.4
71.08640	0.1
79.05505	0.3
80.97451	0.1
81.03407	0.3
81.07063	0.7
83.08637	0.2
84.08126	0.1
86.09709	30.3
91.05484	0.3
93.07030	0.6
95.04977	0.3
95.08602	0.4
97.10185	0.2
98.98472	3.2
104.10739	2.2
105.07064	0.2
107.08610	0.3
108.37437	0.1
109.10174	0.2
116.99603	0.2
119.08607	0.4
121.10156	0.2
125.00011	20.2
130.95374	0.1
131.08539	0.1
135.11670	0.2
137.42021	0.1
143.01041	0.2
163.11136	0.3
166.02681	0.2
184.07347	100.0
185.07709	0.5
199.03812	0.1
220.64113	0.1
292.96570	0.2
343.51230	0.1
427.97049	0.1
466.22238	0.3
502.32135	0.1
503.37354	0.7
581.11127	0.1
728.45020	8.2
729.44867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
54.85376	1.1
55.01876	4.5
55.05512	10.9
55.62260	1.0
57.03442	6.5
57.07065	3.5
60.08159	2.3
61.02925	1.7
67.05507	36.5
69.03436	2.6
69.07076	12.4
71.04983	1.9
71.08629	1.3
71.53571	1.5
73.02945	1.2
79.05496	19.3
81.03432	7.5
81.07059	38.3
81.17825	1.4
83.04978	4.4
83.08631	7.5
85.02906	1.5
85.06544	3.8
86.09710	9.8
91.05485	22.0
93.07042	23.9
93.30769	1.1
95.04959	6.6
95.08612	15.3
97.06522	1.5
97.10181	3.0
98.98499	1.3
99.04473	1.5
105.07038	22.7
107.05022	1.2
107.08601	20.6
109.06537	2.0
109.10163	42.0
110.10503	1.3
111.08092	2.0
113.05974	1.8
117.07031	2.9
119.08577	6.1
121.10161	7.9
123.08120	1.1
123.11695	7.6
125.00040	6.7
125.09674	1.2
127.07601	1.5
129.06984	1.4
131.08592	6.8
133.10143	44.3
135.11687	4.1
143.08557	1.7
145.10126	1.6
147.11656	2.3
149.13235	1.6
151.11188	20.7
159.11723	2.2
161.09625	1.6
161.13188	1.7
163.14917	1.5
169.12273	3.7
171.08411	1.3
173.13261	2.2
179.14262	1.3
184.07346	22.8
187.14735	2.0
197.11716	1.0
215.12791	1.7
243.21063	1.4
253.14368	100.0
261.22189	10.0
271.15433	24.8
279.23062	1.7
316.95319	1.2
317.24622	1.6
335.25830	46.7
379.72479	1.1
457.33209	2.4
462.49741	1.2
466.36176	1.8
503.37256	18.8
513.35681	8.2
531.36823	49.1
532.37903	1.3
579.87238	1.4
669.37158	2.5
728.44464	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	728.459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14091	0.8
52.12174	0.9
53.03934	2.2
54.57977	0.9
55.01869	4.1
55.05511	9.6
57.03434	4.6
57.07068	2.4
60.05632	1.8
61.02932	1.5
65.03970	1.4
67.05508	40.0
69.03426	2.0
69.07073	13.4
69.39979	1.3
69.40387	6.3
71.04987	3.2
79.05495	17.5
79.52060	0.9
81.03423	6.8
81.06595	2.2
81.07058	33.2
83.04964	4.7
83.08618	6.2
85.02896	2.0
85.06524	2.8
86.09711	5.3
91.05483	24.1
93.07050	17.8
95.04957	4.8
95.08606	14.3
97.02890	1.2
97.06517	2.2
97.10155	2.8
97.73561	0.9
98.98473	1.2
99.04445	1.8
105.07034	21.2
107.04948	1.2
107.07887	1.3
107.08597	22.1
109.06518	4.4
109.10159	37.8
111.08095	1.4
111.11740	1.2
117.06982	2.6
119.08586	4.8
121.10172	7.4
123.08042	1.1
123.11701	7.7
125.00015	2.7
127.07568	1.9
129.06981	1.5
131.08540	4.1
133.10139	41.3
135.11696	4.9
137.09605	1.4
143.08487	1.1
145.10117	3.4
147.11623	1.7
149.09636	1.1
149.13231	3.4
151.11177	20.2
159.11722	2.1
161.09608	1.7
163.14825	1.6
169.12215	3.1
173.13196	2.1
184.07349	17.4
186.40900	1.0
187.14818	0.9
215.12738	3.3
243.21005	3.2
253.14359	100.0
254.14740	1.5
261.22171	10.7
271.15411	32.0
317.24594	1.7
323.25717	2.6
324.63498	1.0
335.22089	1.9
335.25830	26.4
439.32153	1.6
457.33081	2.3
466.36047	2.7
503.31763	1.0
503.37463	12.2
513.35773	10.1
531.36871	37.4
532.37494	1.5
728.44458	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	729.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11285	0.9
53.32757	0.7
61.02945	0.8
65.03938	1.3
67.05492	2.5
69.99648	3.7
79.05476	2.9
81.07037	1.4
84.49696	0.8
89.03918	1.4
91.05465	1.9
92.05021	1.0
92.08227	0.8
93.07044	2.8
94.06579	4.2
95.04961	1.0
95.08660	1.0
98.20832	0.9
103.05457	1.0
106.06570	1.5
108.04482	1.7
108.08113	6.3
114.71626	0.9
116.04984	3.5
117.32668	0.7
118.06544	2.0
120.04478	4.9
120.08116	17.7
122.06052	10.4
124.07591	1.3
134.06020	2.7
136.07582	10.4
138.05467	1.1
144.04437	5.4
146.06021	6.8
147.04422	1.2
148.07579	28.3
152.07053	2.1
158.06094	0.9
160.03932	2.1
162.05518	3.4
164.07082	2.9
165.09145	0.8
166.08591	1.5
167.07326	1.0
172.03931	22.9
174.05518	2.0
176.07083	1.8
177.05473	1.6
178.05046	0.8
182.08209	1.1
182.09666	2.4
184.07474	0.9
184.09862	1.2
186.05534	2.3
187.36226	0.8
190.04987	19.2
194.09651	0.9
195.09230	1.3
196.09859	1.4
197.10738	2.4
198.09145	1.1
199.08675	1.0
199.12328	2.8
204.06561	36.2
206.09784	1.0
208.09912	1.3
209.10741	2.5
210.07631	1.5
210.09369	1.5
211.08643	4.0
211.12286	2.6
212.09396	3.1
213.10300	1.4
213.13599	0.9
217.52901	0.9
223.08633	1.1
223.12309	2.4
224.09322	2.0
225.10278	11.0
226.10793	0.9
227.11787	19.6
233.10754	1.0
235.08762	1.2
236.09474	3.9
237.10257	4.8
238.11008	1.9
239.11745	4.1
241.09721	2.5
249.10341	2.2
250.10966	1.4
251.08023	1.5
251.11813	5.9
252.08652	3.7
253.09726	7.5
253.13403	1.2
255.11378	4.6
263.08124	1.5
264.08917	6.3
265.09714	2.2
266.10541	1.5
267.11322	3.1
269.09958	1.8
269.12857	19.3
271.10745	13.9
273.12497	1.0
277.09723	3.6
278.10522	2.6
279.11304	14.3
281.12885	2.6
283.10822	3.8
284.11615	3.7
285.12341	3.4
286.13083	1.9
287.13922	21.4
293.09393	1.5
293.12750	1.1
294.09842	1.2
295.07031	0.8
295.10721	1.5
297.12320	7.5
298.10818	0.9
302.12961	1.2
305.09000	1.2
307.10779	10.3
309.12405	1.3
311.14230	1.7
312.11688	1.1
312.15118	1.7
313.12582	2.3
314.12997	3.4
315.13513	2.6
316.14435	1.4
317.15115	1.2
319.10495	1.1
321.12378	1.6
323.10269	10.5
325.11899	4.5
326.16296	1.1
327.14178	2.0
327.17499	1.2
328.10782	6.2
328.14557	3.8
329.11618	1.3
329.15308	1.4
330.12329	1.1
330.15897	2.9
331.16821	1.4
337.11688	1.5
338.12848	1.0
339.13602	11.5
341.11545	2.8
342.12363	9.5
342.15964	1.4
343.13098	4.3
344.13626	1.0
354.16058	1.6
355.13412	2.3
356.13980	6.5
357.14774	2.5
358.15515	5.0
359.12280	5.9
365.11343	12.5
367.12897	2.7
369.15265	1.0
370.15707	6.3
371.16208	1.5
372.17078	1.8
374.18930	1.1
378.18033	2.2
380.14005	1.6
382.11682	3.7
383.12469	3.4
384.13278	4.6
385.14066	7.8
386.14859	2.8
386.18814	2.3
387.15750	1.1
390.18179	3.4
394.15387	1.4
397.14050	3.5
398.15051	20.5
399.15765	24.8
400.16205	1.4
404.15854	6.0
411.11850	23.9
412.16525	3.5
414.18124	4.7
416.16058	21.2
417.16678	1.7
422.16348	2.5
428.16284	2.8
429.12881	2.1
430.17667	3.7
431.18124	1.4
440.15945	8.4
443.14590	7.8
446.17102	8.6
458.17111	24.6
459.17709	1.4
490.19577	3.2
523.23602	1.0
547.22656	1.3
565.24542	4.0
575.22900	1.1
593.23907	13.9
609.26483	1.9
611.25092	17.1
612.25293	1.1
635.24780	3.3
639.29327	1.1
653.26141	16.8
655.23865	4.9
679.23853	8.1
697.25018	100.0
698.24908	3.3
729.27075	3.8
729.36273	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01868	0.5
55.05510	1.2
57.03444	1.6
59.04995	0.8
61.02932	3.2
67.05510	3.2
69.03432	2.6
69.07066	1.3
70.06579	0.5
71.01370	0.4
71.04996	1.6
71.53345	0.4
73.02909	3.2
75.36430	0.3
79.05492	2.3
83.05000	1.1
83.08634	1.3
85.02909	4.7
85.06539	0.5
86.09738	0.5
87.04476	0.5
91.03948	2.2
91.05489	3.5
93.07056	2.3
95.04963	1.9
95.08610	1.3
97.02895	3.3
97.06561	1.1
99.04501	0.8
101.02405	1.4
103.03919	0.4
105.07050	2.1
107.04984	0.7
107.08614	1.3
109.02889	1.2
109.06562	0.9
109.10175	0.8
111.08105	1.0
112.27416	0.3
116.97938	0.4
119.08596	1.9
121.06541	0.3
121.10161	2.2
127.03956	1.3
129.07030	1.2
131.08585	1.6
133.06534	0.6
133.10164	1.8
147.11700	2.2
148.23563	0.4
149.09612	2.1
157.10115	1.7
163.03937	0.5
163.11191	0.4
165.09113	1.8
166.09479	0.9
175.11185	1.2
184.07350	0.4
193.12253	2.7
197.15445	0.8
203.05284	0.4
211.13326	0.7
243.08392	2.2
245.78654	0.4
251.12590	1.0
267.16025	0.8
283.15195	4.3
311.10181	0.4
339.17871	0.7
396.77417	0.3
469.20474	10.0
501.23120	11.9
639.29846	0.7
657.30103	0.6
669.34064	0.4
697.23810	0.5
729.36719	100.0
730.37238	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	729.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34512	0.9
53.93989	0.7
54.88726	0.9
55.05520	1.4
57.03436	2.6
57.07072	1.5
61.02934	5.9
67.05510	6.7
69.03436	3.9
69.07054	1.6
71.53404	1.1
73.02917	4.9
79.05495	2.5
83.08614	1.9
85.02904	6.6
86.09734	1.4
90.48708	0.8
91.03957	4.1
91.05522	1.7
93.07042	3.2
95.05000	2.9
95.08625	2.9
97.02874	5.0
101.02373	2.5
107.08622	1.7
109.10174	3.5
111.58309	1.0
119.08589	2.6
121.10146	2.0
121.46563	0.8
125.00044	1.0
127.03918	1.3
131.08585	1.9
145.05037	0.8
153.11714	0.8
157.10210	1.2
175.11247	1.0
184.07361	3.3
185.04221	1.0
193.12190	1.8
208.83107	0.8
229.14423	1.9
243.08455	1.6
266.46771	0.9
267.15988	1.3
291.99707	0.8
313.27521	1.1
314.27740	1.0
423.71048	1.0
451.19397	6.5
468.37885	1.1
519.29443	6.4
522.07709	1.1
729.41846	100.0
730.42004	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	730.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04472	0.8
51.74170	0.8
52.00489	0.8
53.03946	2.1
55.01862	1.4
55.05509	2.7
56.05028	2.5
56.22007	0.7
57.03441	3.3
58.40220	0.7
61.02929	20.6
66.42039	0.9
66.92493	0.8
67.05508	5.0
69.03432	11.5
69.07071	1.7
70.06595	5.2
71.04986	2.0
71.08229	1.1
72.04510	1.0
73.02924	8.7
79.05500	7.8
80.05022	1.7
81.03421	26.8
81.07053	9.5
82.06573	1.0
83.04974	5.9
83.08614	9.9
84.04515	5.1
84.08135	2.8
85.02907	23.1
86.06071	33.8
86.09749	1.4
87.04469	23.4
91.03960	12.5
91.05481	5.4
93.07053	7.2
94.06529	0.9
95.04960	7.0
95.05459	0.9
95.08594	4.6
97.02898	17.2
97.06530	5.4
98.06060	26.4
99.04453	3.6
101.02396	1.4
102.05540	1.6
103.03908	1.2
104.07111	32.3
105.07059	6.2
107.04927	1.5
107.08607	3.7
109.02866	2.4
109.06522	1.8
111.08086	3.1
112.07619	10.1
115.03926	1.8
116.07091	1.3
117.07084	1.0
119.08614	4.4
121.10133	6.2
122.06020	1.0
124.07581	3.8
125.09617	1.0
126.05531	7.1
127.03907	7.0
129.07008	2.4
131.08577	4.3
133.10123	3.6
135.08015	0.8
138.09074	0.8
138.12766	1.6
140.07014	2.3
142.08656	3.0
145.04956	3.8
147.08058	1.0
147.11676	4.8
148.07603	2.0
149.09624	21.4
149.13226	1.1
154.08650	2.2
157.10124	4.7
158.08148	5.2
159.11700	1.2
163.06047	3.2
165.12752	2.9
166.12292	2.3
167.10698	1.4
175.11205	6.7
177.12743	1.6
182.15396	1.0
184.13327	3.2
193.10426	1.5
193.12247	29.7
195.13892	1.4
206.15440	2.8
210.14905	6.8
211.13304	5.0
211.15038	0.9
224.16478	3.8
234.14911	3.5
250.17975	2.1
252.15956	19.4
260.16537	5.1
267.15906	16.4
268.19174	2.4
270.17044	1.2
278.17450	9.9
285.16992	34.7
296.18524	5.1
309.16983	3.2
314.19675	2.4
319.15390	0.9
326.19666	3.6
344.20651	13.3
352.21307	1.1
359.14307	0.9
362.21762	20.5
363.17929	1.1
370.22269	11.5
375.17831	0.9
388.23291	52.7
429.21246	1.2
459.83029	1.1
488.24908	1.0
506.25708	1.1
524.27045	7.1
532.27588	1.5
550.28668	40.2
551.29059	1.1
686.31641	1.3
694.32794	2.4
712.33868	100.0
713.33209	3.9
730.35785	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	730.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01872	1.7
55.05504	3.6
56.05037	1.9
57.03430	4.4
61.02929	22.6
67.05514	6.7
68.05022	1.5
69.03431	12.8
69.07063	3.3
70.06597	5.8
70.74954	2.5
71.04990	3.2
73.02922	9.9
79.05496	6.3
80.05044	1.9
81.03423	32.4
81.07059	8.1
82.06563	1.4
83.04986	5.8
83.08624	9.7
84.04494	5.8
84.08125	2.3
85.02911	23.6
85.06501	0.9
86.06073	39.9
86.09734	1.6
87.04472	26.7
91.03957	13.0
91.05486	8.6
93.07044	9.7
95.04969	10.3
95.08614	6.0
96.08185	1.6
97.02897	18.3
97.06552	3.7
97.10184	1.2
98.06059	27.5
99.04478	2.1
101.02404	1.8
102.05530	1.3
104.07112	35.4
105.07026	5.4
107.04961	2.7
107.08605	3.8
108.12636	0.9
109.02867	3.6
109.06494	1.9
111.04475	1.5
111.08109	5.9
112.07607	11.3
115.03912	1.2
117.06962	1.0
119.08627	4.8
121.10136	6.8
123.04450	1.0
123.08095	1.8
124.07607	3.0
126.05521	8.7
127.03949	6.5
129.07027	3.1
131.08585	5.6
133.10136	3.2
135.08171	1.1
138.12787	2.9
139.11188	1.6
140.07086	3.0
142.08655	3.4
145.04974	2.9
147.04355	0.9
147.11682	5.5
148.07542	2.1
149.09625	22.5
149.13312	1.3
151.11217	1.1
154.08650	1.5
157.10158	3.9
158.08124	5.6
159.11639	1.3
163.06032	3.6
165.12740	1.3
166.12308	2.0
167.10646	2.1
175.11172	6.4
177.12750	2.4
182.15388	1.6
184.13353	4.6
192.13803	1.0
193.12254	31.9
195.13858	2.5
206.15472	2.8
210.14926	7.9
211.13271	5.5
212.16565	1.4
224.16493	2.8
234.14894	3.5
235.13318	0.9
250.18095	1.8
252.15964	18.6
258.16867	1.1
260.16483	5.1
266.12674	1.1
267.15948	18.1
268.19083	3.1
270.16998	2.2
278.17572	13.3
280.15659	0.9
285.16983	38.3
286.20306	1.0
296.18503	5.4
302.19568	0.9
309.16953	4.4
309.92889	0.9
314.19666	2.7
326.19553	2.6
342.22928	0.9
344.20700	16.1
352.21149	1.4
362.21756	24.2
370.22324	13.1
388.23309	55.9
389.23874	1.4
393.19070	1.5
475.03253	0.9
482.08331	1.0
524.27216	6.3
532.27570	1.3
550.28619	40.5
686.31793	1.3
694.32428	2.7
712.33844	100.0
713.33960	3.4
730.36908	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	730.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05038	0.6
57.03419	0.1
57.36412	0.1
58.06625	0.5
59.07370	0.2
60.08165	6.0
60.31762	0.1
67.05490	0.5
69.82959	0.6
70.06590	0.2
71.07371	3.3
72.31252	0.1
76.90382	0.1
77.97684	0.1
79.05479	0.3
81.03415	0.1
81.07046	0.5
83.05003	0.1
86.09705	29.9
87.10042	0.3
90.26952	0.1
91.05445	0.1
93.07041	0.3
95.08611	0.2
98.21541	0.1
98.98468	3.0
104.10749	2.3
105.06998	0.1
107.08604	0.3
109.10165	0.2
116.11827	0.1
119.08592	0.2
125.00005	19.8
125.09616	0.2
143.01131	0.3
184.07339	100.0
185.07674	1.0
255.15945	0.1
259.80176	0.1
273.13403	0.3
330.61823	0.1
335.25674	0.2
360.98395	0.1
365.21646	0.1
419.72763	0.1
452.35373	0.1
466.78665	0.1
468.23602	0.3
524.56390	0.1
576.65729	0.1
667.26794	0.1
730.46588	6.5
731.46613	0.4
759.54376	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	730.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.5
56.05031	0.6
57.07063	0.3
58.06374	0.2
58.06624	0.5
59.05010	0.9
59.07376	0.2
59.23980	0.2
59.73116	0.2
60.08167	6.4
62.41301	0.2
67.05500	0.8
69.07052	0.3
69.42042	0.2
71.07378	4.1
78.61794	0.2
79.05491	0.3
81.03424	0.2
81.07053	0.8
83.04951	0.2
83.08619	0.2
86.09711	32.5
91.05478	0.4
93.07047	0.5
95.08623	0.6
97.95669	0.2
98.98467	3.1
104.10754	2.5
105.07027	0.2
107.08606	0.4
109.10153	0.4
121.10149	0.2
125.00012	21.1
130.24579	0.2
131.08540	0.2
133.10072	0.3
135.11711	0.2
141.27827	0.2
143.01097	0.2
145.10181	0.2
146.98181	0.4
184.07350	100.0
185.07736	0.6
193.57013	0.2
253.14211	0.2
266.10913	0.2
276.68658	0.2
522.35669	0.3
547.39661	0.7
559.35730	0.3
671.38104	0.8
730.46429	15.5
731.47266	0.4
737.22461	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	731.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90228	1.6
67.05502	3.0
68.94807	1.7
69.03409	1.5
70.06610	1.7
71.04119	3.1
74.96960	1.3
79.05493	4.0
81.03453	1.6
81.07051	2.0
82.80068	1.5
85.02903	1.9
89.46661	1.4
91.05502	2.4
93.07055	3.2
94.06557	4.1
95.05013	2.0
99.47414	1.6
103.05486	3.1
108.08112	10.2
109.31578	1.7
116.68255	1.6
118.06540	2.1
120.08121	19.1
122.06051	9.2
136.07590	13.0
145.02802	2.3
148.07593	62.7
150.09189	2.5
152.07108	1.9
160.04144	1.7
164.07074	2.4
166.08641	5.1
168.10172	1.9
172.03967	3.6
177.05487	4.2
204.06657	7.5
211.08633	2.7
211.12209	2.4
213.10233	5.3
223.08614	8.9
223.12199	3.2
224.09320	3.3
225.10269	23.9
225.13815	1.7
226.11047	3.7
227.11827	4.9
235.08675	2.1
237.10265	15.2
237.13840	1.9
238.11058	10.9
239.08125	2.4
239.11813	17.5
240.12395	2.7
249.10262	4.0
250.11008	3.3
251.08151	9.1
251.11806	16.3
252.08675	5.6
252.12526	3.1
253.09747	12.3
253.13361	6.5
254.10498	3.1
263.11826	2.9
264.08737	2.2
265.09744	27.6
265.13074	11.1
266.10416	9.2
266.14108	3.0
267.11252	5.5
271.10815	2.9
279.11310	17.4
281.12823	7.6
283.10715	10.7
283.14322	6.3
284.11615	3.8
285.12375	39.0
286.13080	3.0
287.13846	3.2
293.12836	7.1
295.10748	1.8
295.14340	3.2
297.12363	12.9
298.13406	7.9
299.13904	13.9
307.10733	4.9
309.12292	4.1
310.13031	2.0
311.13937	15.7
313.15674	2.3
321.12442	3.8
323.10260	1.9
325.12100	8.7
327.13412	26.4
330.15787	1.8
337.11890	4.1
338.12534	2.6
339.13486	12.9
344.17868	1.9
355.13309	1.9
357.14438	5.3
358.15179	5.0
359.16022	4.4
367.12943	2.1
370.15430	2.9
371.15961	3.8
372.17230	3.1
400.16272	2.1
402.18164	1.9
411.11859	4.5
418.17322	3.0
420.18933	2.4
432.18814	2.0
443.14520	2.8
448.18591	2.2
460.18558	3.4
474.20035	4.5
478.19955	2.6
492.21097	2.2
506.22543	2.4
533.21735	2.5
534.22418	5.6
537.20435	2.0
550.22235	2.1
560.20227	2.7
565.24286	9.6
576.19318	5.6
577.20685	18.3
578.21393	55.0
595.22058	2.3
608.22229	3.9
609.23230	100.0
610.24066	32.6
611.24469	1.8
613.25726	4.1
655.27295	5.4
681.25861	3.0
699.26703	20.0
731.31439	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	731.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65282	2.4
57.07072	2.9
79.95670	2.4
81.07066	2.3
86.09696	2.3
89.06026	4.5
92.76572	2.0
93.88558	2.3
98.21563	3.4
111.81007	2.5
125.00080	2.7
132.85880	2.5
150.81044	2.5
170.27786	2.2
184.07402	9.6
339.62051	2.2
351.24512	2.3
407.22772	2.7
408.19525	3.2
409.20428	5.6
421.20181	2.5
422.21344	3.1
423.21915	8.3
435.21826	4.7
453.18542	2.4
454.20636	2.7
463.07346	2.7
474.85989	3.0
481.22330	3.5
484.90866	2.6
493.22607	4.4
495.24170	5.6
508.24707	6.2
509.25952	3.5
510.26303	6.7
511.27316	6.7
521.25690	2.8
537.24890	20.5
539.22821	4.5
550.24139	2.5
551.23328	3.1
553.28369	3.4
554.25305	26.8
555.25720	4.7
581.27631	4.3
583.25269	3.4
597.26874	11.4
612.28656	5.6
613.30060	8.9
656.28845	4.0
657.29810	4.6
667.27936	4.4
667.96161	2.4
699.30267	68.7
731.32843	100.0
732.32916	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	731.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08958	1.5
53.85429	1.7
56.57066	1.5
60.08576	1.6
61.92680	1.2
64.43157	1.5
68.55786	1.2
69.15364	12.1
69.15775	2.6
86.09711	4.1
95.08610	1.9
98.21513	3.2
121.12839	1.3
125.00021	2.3
184.07329	7.7
303.14996	1.9
378.19955	1.4
393.16742	2.0
405.21185	1.7
409.20288	5.4
421.20343	2.5
422.21030	1.6
423.21979	12.9
424.22467	2.5
426.70770	1.6
435.22339	2.1
437.23859	2.6
438.24130	2.1
447.18079	1.7
466.19629	1.7
467.25204	2.0
474.79840	1.4
475.21579	3.7
495.23611	2.5
509.25763	4.0
510.26483	3.4
511.26831	2.2
513.24664	1.9
521.26044	3.0
525.21368	1.9
537.25153	12.1
539.23859	2.2
549.24823	1.9
553.28339	3.0
554.25262	15.7
555.25970	2.5
565.24603	2.7
580.26782	3.3
581.27728	3.2
583.26013	1.9
597.27130	7.9
598.27887	3.3
612.29199	3.3
613.30328	3.0
625.26074	2.9
640.29352	2.3
656.28418	3.8
657.28906	3.7
667.27509	5.1
672.30902	4.8
699.30237	59.8
700.30164	2.9
731.32867	100.0
732.33459	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	734.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.6
53.03947	1.2
55.01879	1.9
55.05520	9.4
57.03445	8.4
57.07081	21.6
59.05001	1.8
59.80564	0.6
60.08156	0.8
60.43007	0.6
61.02925	3.9
67.05506	11.8
69.03432	1.1
69.07073	6.0
70.23987	2.3
71.01362	1.0
71.05001	1.2
71.08634	16.1
71.14266	0.6
72.08173	1.3
73.02921	1.2
74.09724	7.1
77.03925	0.6
79.05499	4.9
81.03425	2.1
81.07069	15.9
83.04993	1.4
83.08628	12.0
85.02914	3.0
85.06553	1.5
85.10192	10.5
86.09711	2.8
87.04458	0.5
89.56897	0.6
91.03976	1.3
91.05486	10.8
93.07054	8.7
95.04988	2.3
95.08613	14.8
97.02917	3.8
97.06538	2.0
97.10169	3.3
98.98475	0.7
99.00824	10.7
99.08053	0.7
103.05477	0.6
103.07596	0.7
105.07043	10.9
107.04971	3.9
107.08608	5.0
109.02895	7.5
109.06557	1.5
109.10162	7.1
111.08091	2.1
115.03956	1.7
117.07027	1.9
119.08573	5.2
121.06538	4.8
123.04437	0.9
123.08093	0.7
123.11722	3.7
125.00034	1.5
127.03914	1.9
128.06248	0.9
128.74905	0.6
129.07030	0.9
131.08575	1.1
133.06548	0.8
133.09114	1.1
133.10139	23.9
135.11720	1.0
137.05997	1.5
137.09624	0.7
137.13341	0.9
139.07562	1.8
143.08594	3.5
145.06595	0.7
147.08040	1.2
151.11201	8.3
161.09634	11.8
161.13530	0.6
168.52303	0.6
171.08090	2.7
179.10712	6.9
184.07358	8.4
189.09117	6.5
193.67099	0.7
196.96942	0.6
197.11732	2.3
207.10222	2.1
225.11255	7.9
239.23747	1.5
243.12291	1.8
257.24796	1.6
281.13861	3.9
299.14911	100.0
300.15283	1.9
313.27380	83.8
314.27689	1.9
537.37915	52.3
538.38318	0.9
550.34760	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05042	0.6
57.03428	0.3
57.07072	0.7
58.06620	0.5
60.08165	6.6
61.02917	0.1
67.05506	0.7
69.07055	0.3
69.81170	0.6
71.07375	3.2
71.08620	0.6
76.51212	0.1
79.05506	0.5
81.03410	0.3
81.07051	0.6
83.04975	0.3
83.08624	0.3
85.02898	0.2
85.10193	0.4
86.09707	32.4
91.05473	0.5
93.07038	0.5
95.04980	0.1
95.08620	0.6
98.98464	2.9
104.10749	2.5
107.04966	0.2
107.08611	0.2
109.10159	0.3
116.27868	0.1
117.07014	0.1
119.08596	0.2
121.10138	0.2
123.11758	0.1
125.00008	20.4
125.98496	0.1
133.10144	0.2
133.19891	0.1
135.11693	0.2
143.01039	0.2
145.10115	0.3
163.11217	0.2
166.02672	0.2
169.78983	0.1
184.07343	100.0
185.07651	0.6
191.10738	0.3
209.11737	0.3
209.26677	0.1
213.16690	0.1
227.12727	0.2
257.98468	0.1
283.15390	0.7
286.66446	0.1
301.16464	1.5
313.27359	2.4
326.06659	0.1
379.04126	0.1
385.76160	0.1
386.22681	0.1
496.34036	0.1
521.38440	0.5
528.85065	0.1
539.39410	1.1
667.47406	0.1
682.15808	0.1
704.44800	0.5
730.37329	0.1
736.47589	10.7
737.47760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.0
53.03942	2.1
55.01867	3.9
55.05514	12.8
57.03439	13.8
59.04992	1.4
61.02926	1.5
67.05180	1.2
67.05506	15.0
69.03411	3.3
69.07067	3.3
69.24387	8.6
71.01334	1.5
71.04995	1.9
73.02913	1.3
79.05492	15.0
79.44054	0.9
81.03422	58.1
81.07059	18.8
82.03809	0.9
83.04993	5.9
83.08163	1.4
83.08626	23.1
85.02893	2.8
85.06547	1.3
87.04530	1.0
91.05485	23.6
93.07044	15.2
95.04973	20.4
95.08607	7.4
97.02895	6.3
97.06508	3.3
97.10183	4.8
99.00816	11.2
99.04416	1.0
99.08071	1.2
105.07031	19.3
107.04967	9.9
107.08604	9.3
109.02895	10.7
109.06540	5.1
109.10168	4.8
111.04438	4.2
111.08089	8.6
113.05994	1.9
115.03954	1.5
117.06997	3.3
119.04992	1.2
119.08593	15.9
121.06508	7.8
121.10147	5.0
123.04429	2.4
123.08033	2.9
123.11712	2.2
125.09630	3.9
127.03915	2.5
128.06233	1.8
129.07016	7.2
131.08553	8.6
133.06487	3.4
133.10141	26.0
135.08051	2.2
135.11670	3.7
137.05988	2.7
137.09633	2.7
139.07555	3.2
142.07800	1.5
143.08574	4.9
145.10103	2.8
147.04445	1.3
147.08055	4.2
147.11719	6.3
149.09605	3.3
151.11176	8.6
153.09134	1.4
157.10126	8.3
159.11816	1.3
161.09619	16.3
163.11180	3.6
165.09128	2.8
165.12692	1.4
171.08040	4.9
173.09627	1.6
173.13437	0.8
175.11183	8.2
179.10677	9.1
181.12201	1.2
183.55864	1.0
189.09113	9.3
189.10886	1.7
191.10599	1.4
193.12239	17.2
197.11700	2.3
199.11235	1.1
207.10130	2.9
211.13268	3.7
219.13785	6.5
225.11197	9.2
227.12671	3.5
243.12064	1.2
247.13303	1.1
267.15924	88.3
268.16342	1.3
281.13791	6.8
283.15424	4.4
285.10001	1.0
285.16891	2.4
299.14902	70.7
381.20673	1.9
385.23718	1.6
389.23169	2.1
399.21689	1.9
417.22659	1.7
445.25839	11.6
455.24695	1.3
459.27542	5.5
463.26941	6.8
473.25406	29.8
477.28357	4.2
490.12195	1.4
491.26416	100.0
492.26614	3.1
509.27417	5.4
518.75830	1.1
523.29089	1.5
533.27252	2.1
635.30579	1.4
653.32184	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01864	1.2
55.05280	0.8
55.05517	11.9
57.03444	4.9
57.07059	0.9
58.28521	0.7
64.00562	0.7
65.03944	1.4
65.22938	0.7
67.05509	37.9
69.03408	0.7
69.07072	11.4
69.15230	1.5
69.15635	7.3
73.06548	1.1
77.03942	0.9
79.05498	43.0
81.03429	3.4
81.07060	37.1
83.04983	4.0
83.08626	4.6
85.02891	0.9
85.06535	1.9
91.05486	28.8
93.07050	42.3
95.04971	8.7
95.08613	25.3
97.02897	0.8
97.06525	1.7
97.10178	1.6
98.21509	2.0
102.12807	1.1
105.04534	1.0
105.07041	22.6
107.04955	2.8
107.08607	15.3
109.06521	2.8
109.10166	6.6
111.08047	1.1
115.05442	1.3
117.07038	5.3
119.08590	13.3
121.06509	1.1
121.10143	8.9
123.08102	1.8
123.11700	2.1
128.06207	1.2
129.07016	6.2
131.08546	4.6
133.10141	6.2
135.11685	6.0
137.09673	0.8
143.08560	2.8
145.10130	5.8
147.08089	1.5
147.11700	16.3
149.13261	1.8
151.11205	0.8
154.50777	0.7
159.11700	2.7
161.09663	1.6
161.13295	5.7
163.14958	0.7
171.11687	10.1
173.13248	1.7
177.12895	0.7
184.07365	3.1
187.14836	1.1
189.11319	0.7
189.12677	3.5
207.13803	10.8
207.15530	1.1
261.22159	4.4
279.15881	1.1
281.17496	30.3
317.24832	1.2
335.25821	40.6
541.38928	100.0
542.39349	4.1
559.40198	2.0
611.83636	0.9
738.51508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
56.05040	0.7
57.03426	0.2
57.07065	0.4
57.26614	0.1
57.36445	0.1
58.06623	0.5
59.07392	0.2
60.08167	5.1
67.05499	0.3
69.07058	0.1
69.29977	0.8
70.06610	0.1
71.07378	3.0
71.08630	0.3
71.69704	0.1
74.44469	0.1
79.05492	0.1
81.03420	0.9
81.07058	0.3
83.08636	0.2
86.09709	27.7
87.10023	0.2
91.05460	0.2
93.07018	0.1
95.04977	0.1
95.08611	0.3
98.98471	2.8
104.10744	2.0
105.07021	0.1
107.04889	0.1
109.10155	0.1
111.08076	0.1
125.00009	18.4
131.08572	0.1
135.10844	0.1
157.10149	0.1
184.07347	100.0
185.07710	0.5
193.12276	0.2
228.46623	0.1
267.15912	1.0
313.27383	1.2
478.31915	0.1
483.53952	0.1
496.34100	0.2
505.39001	0.8
509.42810	0.1
587.98718	0.1
688.45471	12.1
689.45898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
55.05318	0.3
55.05515	3.0
56.05019	0.7
57.03442	3.8
57.06841	0.7
57.07080	8.4
58.06603	0.5
60.08170	5.7
66.91814	0.4
67.05509	4.6
69.03416	0.5
69.07068	2.3
71.07374	3.5
71.08630	7.3
79.05498	2.9
81.03422	17.5
81.07056	4.0
83.04961	1.0
83.08623	4.8
85.10186	4.1
86.09712	26.7
89.05998	0.5
91.05489	3.4
93.07018	1.9
95.04982	5.2
95.08611	5.9
97.02886	0.7
97.06508	0.5
97.10178	1.6
98.98465	2.7
103.07529	0.7
104.10728	2.4
105.07047	2.2
107.04950	1.1
107.08602	1.1
109.06482	0.5
109.10131	2.0
111.04423	0.5
111.08060	1.5
111.11784	0.4
112.16845	0.3
118.62057	0.4
119.08580	2.8
121.06500	0.5
121.10149	1.1
123.08079	0.5
123.11743	1.1
125.00010	20.9
129.07007	1.9
131.08560	2.1
133.06552	0.4
133.10150	0.9
137.13361	0.4
147.08026	1.1
147.11685	1.7
148.58412	0.4
149.09576	1.0
157.10153	1.8
165.12798	0.5
175.11208	1.6
184.07349	100.0
185.07715	0.7
188.27229	0.4
193.12265	6.4
229.14435	0.4
239.23595	0.5
257.24719	0.8
267.15921	29.9
268.16171	0.5
273.14908	0.4
309.17041	0.7
311.25714	0.4
311.81433	0.4
313.27371	27.3
314.27811	0.6
331.84033	0.3
395.81058	0.4
403.46875	0.4
505.38925	22.2
506.39334	0.5
523.40558	0.6
539.83710	0.4
547.40155	0.9
601.40424	0.4
688.34131	0.7
688.45361	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	738.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17179	0.2
53.03936	0.3
53.78657	0.2
55.05509	1.5
55.59728	0.2
56.05032	0.8
57.03436	2.7
57.07076	5.4
58.06347	0.2
58.06609	0.3
60.08165	5.8
61.05257	0.2
67.05504	3.0
69.03422	0.3
69.07069	1.2
69.97018	0.7
71.07376	2.9
71.08630	3.4
79.05495	1.7
81.03416	10.2
81.07053	3.3
83.04975	0.7
83.08619	3.4
85.02911	0.2
85.06538	0.2
85.10183	2.4
86.09705	29.3
87.10023	0.2
91.05479	2.0
93.07047	1.2
95.04964	3.1
95.08601	2.8
97.02905	0.5
97.06511	0.3
97.10173	1.1
98.98466	2.8
102.49831	0.2
104.10741	2.5
105.07027	1.6
107.04958	0.8
107.08587	0.4
109.06504	0.4
109.10150	1.2
111.04451	0.2
111.08076	0.8
111.11711	0.2
117.07017	0.3
119.08585	1.8
121.06482	0.2
121.10155	0.9
123.11688	0.5
125.00004	20.1
129.07019	1.3
131.08574	1.1
133.06485	0.3
133.10121	0.5
137.09561	0.2
137.13208	0.2
142.07793	0.4
147.08112	0.4
147.11719	1.0
149.09621	0.8
157.10139	1.2
161.09543	0.2
175.11176	1.3
184.07338	100.0
185.07654	0.6
193.10457	0.2
193.12244	4.1
211.13254	0.4
239.23741	0.4
249.14842	0.2
257.24768	0.4
259.13174	0.3
267.15909	17.1
309.16919	0.3
313.27350	17.3
314.27609	0.2
505.38907	14.0
506.39038	0.5
547.39844	0.4
569.50336	0.2
591.25983	0.4
601.40515	0.3
602.89087	0.2
688.45435	10.6
689.45392	0.4
745.17847	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	740.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01879	2.1
55.05513	11.3
57.03440	7.8
57.07081	1.7
59.05023	0.3
60.08156	1.2
61.02920	0.9
61.83870	0.3
65.03933	1.6
67.05508	35.7
69.03427	1.3
69.07072	9.6
69.61991	2.0
71.04975	1.8
71.07368	0.9
73.02918	1.3
77.03918	0.4
79.05496	29.2
81.03398	1.6
81.07059	36.2
82.07384	0.4
83.04992	2.9
83.08626	7.8
85.02878	0.7
85.06533	0.9
86.09711	8.2
86.46976	0.3
91.05482	12.5
93.07049	41.1
95.04971	4.6
95.08611	43.6
97.02890	2.9
97.06546	3.2
97.10166	1.5
98.20687	0.6
98.98463	1.1
99.04472	2.6
99.08122	0.8
103.05463	0.5
104.10758	0.7
105.04520	0.6
105.07035	10.4
107.04955	4.2
107.08599	25.8
109.06527	1.0
109.10161	11.0
111.04480	0.9
111.08083	1.5
113.06016	0.6
113.09615	0.5
117.07023	7.4
119.08584	10.9
121.06509	3.2
121.10152	15.4
123.08080	0.6
123.11733	2.5
125.00012	5.9
125.05996	1.7
127.07571	0.3
129.06964	0.5
130.07794	1.2
131.08566	4.0
133.10144	4.8
135.08070	1.4
135.11696	36.3
136.12029	0.7
137.09697	0.3
137.13216	0.5
139.07562	1.1
141.96532	0.3
143.08539	0.6
145.10129	19.7
147.11696	2.3
149.13278	3.0
151.11145	0.3
153.12715	0.7
155.08565	0.6
159.11772	1.6
161.13281	1.8
163.11188	41.4
163.14784	0.8
164.11507	0.4
173.09581	0.4
173.13272	1.9
175.14848	1.1
177.16382	0.4
181.12251	6.3
184.07349	32.1
185.07666	0.9
187.14793	0.9
209.11781	1.1
227.12791	47.4
228.13132	0.5
243.21173	2.0
261.22144	5.8
283.15402	48.6
284.15826	0.7
317.24750	1.7
335.25809	100.0
336.26135	3.2
427.51807	0.4
543.36835	78.5
544.37115	3.1
599.50775	0.7
650.44061	3.0
740.47168	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	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90676	0.5
53.03943	1.0
55.01846	2.5
55.05514	12.6
57.03440	7.2
57.07039	1.8
59.04979	0.8
61.02884	1.1
65.03905	1.8
67.05506	36.1
67.05839	1.2
69.03392	1.3
69.07070	12.4
69.45364	2.5
69.45790	1.6
71.04997	2.8
72.12608	0.6
73.02901	1.1
77.03852	0.6
78.11324	0.6
79.05494	33.9
80.48891	0.6
81.03378	2.0
81.07059	39.0
83.04970	3.0
83.08624	9.2
85.02876	1.0
85.06521	1.2
86.09683	1.0
86.66545	0.5
91.05479	12.5
93.07047	49.4
95.04976	6.0
95.08608	47.9
97.02889	3.9
97.06550	3.9
97.10136	2.2
99.04456	4.0
103.05402	1.0
105.04469	1.0
105.06426	0.7
105.07043	10.0
107.04956	7.4
107.08596	32.5
109.06468	2.4
109.09480	0.8
109.10150	10.0
111.04395	1.5
111.08067	1.6
113.09560	0.5
117.07017	9.8
119.07818	0.9
119.08590	11.7
121.06526	5.6
121.10148	18.5
123.08074	0.7
123.11670	2.2
124.99963	0.7
125.06016	3.1
129.06960	0.7
130.07732	1.3
131.08578	4.1
133.10150	4.5
135.08025	1.7
135.11697	49.4
137.09518	0.8
137.13214	0.9
139.07515	2.5
143.08536	0.8
145.10132	28.4
146.10452	0.9
147.11615	1.6
149.13252	3.2
150.51099	0.5
153.12709	1.2
159.11623	1.7
160.61472	0.5
161.13199	1.7
163.11185	56.3
166.13235	0.6
173.09560	1.0
173.13274	1.5
175.14778	1.0
181.12250	10.3
184.07358	4.4
187.14836	1.1
201.16431	0.6
209.11726	1.9
227.12785	72.3
228.13174	1.0
243.21085	2.1
261.22128	8.7
283.15399	100.0
284.15897	1.4
299.23898	0.6
317.24878	2.7
335.25800	90.7
336.26013	2.2
346.01834	0.6
404.27100	0.6
469.32608	0.7
491.08856	0.6
543.36835	96.4
544.37128	4.0
561.38055	0.7
611.38983	0.7
646.59906	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83892	0.1
55.05503	0.2
56.05038	0.6
57.07071	0.1
58.06618	0.6
59.07116	0.1
59.07394	0.3
60.08167	5.9
65.36501	0.1
67.05506	0.5
70.06601	0.2
70.11404	0.3
71.07378	2.7
71.08643	0.1
75.98884	0.1
79.05495	0.1
81.07053	0.3
81.59040	0.1
83.08620	0.1
86.09711	29.3
91.05476	0.1
93.07024	0.1
95.08629	0.2
97.61098	0.1
98.98470	2.9
104.10748	2.5
105.07063	0.1
107.08574	0.1
109.10165	0.3
114.84098	0.1
119.15067	0.1
125.00011	19.4
143.01025	0.1
184.07349	100.0
185.07675	0.5
185.27014	0.1
200.37155	0.1
222.08989	0.1
306.28064	0.1
496.33911	0.2
543.36981	0.2
650.43945	10.6
651.44135	0.4
696.44238	0.1
722.46100	0.2
740.47113	6.6
741.47522	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	740.4711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.2
55.75771	0.1
56.05039	0.5
57.07080	0.2
58.06308	0.1
58.06616	0.5
59.07379	0.2
60.08167	5.5
67.05515	0.8
69.07088	0.2
70.06616	0.1
71.07379	2.8
71.08637	0.1
79.05459	0.2
81.07062	0.5
83.08623	0.1
86.09710	28.9
87.10028	0.1
93.07054	0.2
93.47460	0.1
95.08599	0.4
98.98467	2.6
104.10748	2.3
107.08607	0.2
109.10196	0.4
119.08561	0.1
125.00011	19.1
131.08640	0.1
133.10066	0.1
135.11700	0.1
142.06885	0.1
160.55731	0.1
166.02733	0.2
184.07349	100.0
185.07724	0.6
222.08958	0.2
227.12700	0.1
283.15463	0.3
311.41772	0.1
337.27228	0.1
375.02625	0.1
496.33905	0.2
507.07086	0.1
543.37201	0.2
599.49933	0.5
650.43964	10.3
651.44092	0.3
719.18964	0.1
722.45898	0.3
740.47107	7.2
741.47235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01880	4.2
55.05268	1.2
55.05513	16.0
57.03438	8.0
66.28934	0.7
67.05506	19.7
69.03057	0.8
69.03414	3.4
69.07064	6.3
70.06565	1.2
70.12176	3.1
71.04986	4.3
79.05496	22.1
81.03420	47.1
81.07062	20.2
83.04999	4.0
83.08619	16.8
83.81870	0.8
85.02898	3.2
85.06538	1.2
90.78427	0.8
91.03947	1.0
91.05487	16.5
93.06483	1.2
93.07045	17.1
95.04974	20.8
95.08610	9.6
97.02888	2.2
97.06532	4.5
97.10177	13.1
99.04478	0.8
105.07034	10.3
107.04953	15.8
107.08592	12.4
109.06525	16.1
109.10171	7.0
111.04396	1.6
111.08103	4.6
115.05484	1.3
117.07003	6.4
119.04973	1.4
119.08584	11.2
121.06509	12.6
121.10141	11.7
123.04453	1.9
123.08075	4.5
123.11703	1.4
125.06004	1.4
125.08775	1.1
125.09633	13.3
127.03866	1.0
129.06995	8.5
131.04939	1.5
131.08563	11.8
133.06509	4.6
133.10130	5.5
135.08063	7.1
135.11685	3.3
137.05966	1.7
137.09625	2.2
139.11171	2.5
141.06917	1.3
142.07761	1.3
143.08571	2.7
143.10689	0.8
145.06493	6.4
145.10129	5.6
147.04373	1.0
147.08070	6.0
147.11687	7.1
149.09618	6.4
151.07571	1.1
153.09111	3.5
153.12773	1.1
155.08533	1.5
157.06541	1.0
157.10155	7.1
159.08026	2.4
159.11684	1.0
161.05994	1.3
161.09607	2.6
163.11192	5.3
165.09145	0.9
165.12726	1.7
167.10696	1.1
169.10101	1.5
171.08029	1.6
171.10321	0.9
171.11716	1.6
173.09668	1.8
173.11844	1.5
173.13280	3.3
175.11195	6.4
177.12723	1.5
181.10095	1.2
183.11711	0.9
184.07347	2.1
185.09552	1.3
185.13297	1.3
187.11208	1.6
187.14890	0.9
189.11227	6.0
189.12671	1.8
191.10707	1.0
191.14310	3.8
193.12251	14.3
195.11736	1.4
197.09627	0.9
197.13304	1.7
199.11206	1.5
199.13124	1.1
201.12709	1.8
205.12260	1.4
209.11600	1.2
211.11406	1.0
211.13351	2.2
213.12753	1.4
215.10713	0.7
215.14305	1.8
217.12117	1.2
219.13789	9.8
223.11220	1.2
223.13252	1.9
225.12758	0.9
227.12767	3.2
227.14708	0.9
229.14265	2.1
231.13728	1.7
233.15367	3.4
237.12648	1.0
237.14815	1.2
241.14282	1.0
243.13870	0.9
249.14806	1.9
255.13773	1.9
259.13156	1.4
259.15433	6.5
267.15918	44.0
271.74435	0.9
273.14825	6.4
275.16400	1.8
283.15381	1.5
293.17526	4.3
301.16492	0.9
319.85141	0.8
339.23154	3.0
344.68015	0.8
349.21616	5.5
357.24243	1.9
367.22681	12.0
385.23727	18.5
403.24753	7.7
433.25870	1.2
437.25330	0.8
441.26370	8.7
449.28595	0.9
451.26801	5.8
459.27420	98.7
460.27576	1.9
477.28497	100.0
478.28790	2.5
491.30197	9.7
495.29675	9.6
501.28290	2.9
509.30820	2.6
567.29407	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	742.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
54.49702	1.5
55.01873	2.4
55.05272	2.4
55.05517	26.1
57.03440	15.3
57.07077	3.3
61.02917	6.0
65.03928	3.6
67.05512	68.9
69.03419	4.1
69.06734	2.3
69.07075	28.0
69.28670	3.9
69.29089	10.4
71.01335	2.1
71.04982	4.6
71.08617	1.8
72.41975	1.5
73.02922	2.4
79.05500	47.6
79.05967	2.7
81.03432	12.9
81.07064	77.0
83.04971	6.4
83.08619	17.9
85.02900	6.7
85.06533	2.8
87.04440	1.5
91.03966	1.7
91.05483	30.5
93.07054	58.3
95.04989	15.4
95.08613	68.5
97.02879	7.6
97.06541	7.6
97.10168	7.8
99.04473	4.1
99.08068	2.5
105.07040	26.5
107.04942	5.6
107.08604	35.5
109.06544	9.3
109.10171	19.7
111.08086	3.9
117.07037	8.1
119.08596	23.1
121.06519	2.2
121.10162	22.8
123.08045	3.1
123.11700	9.4
124.99993	1.3
125.05940	2.9
125.09701	1.6
129.07011	4.3
131.08585	10.2
133.06503	1.9
133.10150	19.4
135.08081	4.7
135.11705	42.5
141.66882	1.8
143.08623	1.6
145.10139	19.8
146.38002	1.5
147.07983	1.6
147.11711	11.4
149.09651	2.6
149.13261	6.0
151.11214	2.0
153.12721	3.5
157.10159	4.7
159.11679	5.0
161.13261	5.0
163.11200	42.8
163.14818	2.0
165.12804	2.5
165.83911	1.8
171.11710	1.8
173.13290	3.1
175.11168	5.4
175.14783	3.1
177.12814	2.0
181.12238	5.8
184.07396	2.9
193.12231	6.7
211.13304	5.1
227.12801	45.3
243.21049	3.6
258.08987	1.6
261.22131	10.6
263.23666	2.5
267.15915	13.8
283.15421	77.3
285.16995	48.7
285.19678	1.1
285.20200	2.2
302.17160	1.4
302.54602	1.6
335.25824	62.0
337.27408	65.7
435.32269	2.3
453.33606	2.4
503.37097	6.3
527.37537	11.0
545.38391	100.0
546.38385	4.5
563.39136	2.7
602.24634	1.6
724.62311	2.0
742.43988	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	742.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.9
53.03939	4.1
55.01866	2.7
55.05515	18.8
57.03444	14.0
57.07074	2.3
59.04991	1.3
60.08182	2.5
61.02927	1.8
62.21912	1.0
65.03941	2.6
67.05508	45.3
69.03428	3.2
69.06730	1.4
69.07071	12.9
71.04990	3.2
71.07365	1.5
72.10516	1.1
73.02911	1.0
75.18248	1.1
79.05498	35.7
81.02936	1.6
81.03422	39.0
81.07061	47.0
83.04999	9.6
83.08625	16.4
85.02905	14.4
85.03394	1.6
85.06523	1.0
85.24390	1.0
86.09708	12.8
87.10040	2.7
91.05486	36.7
93.07047	41.8
95.04974	17.6
95.08614	35.0
97.02892	3.4
97.06521	3.4
97.10175	4.9
99.08067	1.4
105.04537	1.2
105.07034	25.1
107.04968	3.7
107.08602	16.4
109.06519	3.4
109.10173	14.8
111.04398	1.2
111.08106	6.8
113.06006	1.7
115.05421	1.8
117.07031	4.9
117.07796	1.3
119.08599	20.2
121.10141	17.8
123.08069	3.2
123.11716	4.0
125.00009	9.0
125.09675	1.1
129.07028	8.2
131.08586	16.0
133.06506	1.8
133.10138	14.7
135.11705	7.4
137.09637	1.8
142.07784	2.3
145.10121	6.8
147.08078	1.7
147.11676	13.7
149.09612	5.3
149.13257	3.9
153.58330	1.0
155.08551	1.5
157.10149	9.1
159.11737	4.3
161.13229	2.6
163.11125	1.3
165.12747	2.1
173.13284	2.4
175.11198	10.2
175.14798	1.2
177.12778	1.1
183.47119	1.1
184.07352	42.5
185.07683	8.2
186.07758	3.6
187.14807	1.4
193.12257	25.3
211.13290	36.6
227.12759	1.6
243.21269	2.4
249.21271	1.0
259.20578	1.7
261.22153	7.8
267.15924	14.7
269.17392	1.9
285.16974	40.8
317.24869	1.8
318.25012	1.3
335.25812	72.0
336.26035	2.1
346.41214	1.3
435.32834	2.8
453.33493	2.8
527.37329	15.5
545.38391	100.0
546.24689	1.1
546.38452	2.9
652.44202	3.6
742.46655	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	742.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.6
55.01870	3.5
55.05269	1.5
55.05516	21.9
57.03444	18.9
57.07079	2.1
59.04997	1.3
61.02927	4.1
65.03936	2.6
67.05511	55.0
69.03435	5.4
69.07074	15.4
70.64112	2.5
70.64449	0.9
71.04998	4.2
73.02934	1.5
76.60427	0.9
77.03927	1.0
79.05500	43.7
81.03423	56.9
81.07064	58.1
83.04994	16.0
83.08152	1.5
83.08626	22.7
83.78082	1.0
85.02915	23.4
85.06540	1.9
86.09713	2.0
90.25732	0.9
91.03938	1.6
91.04913	1.8
91.05488	38.7
93.07054	43.1
93.07645	2.1
95.04979	24.6
95.08620	38.4
97.02876	6.0
97.06539	4.9
97.10204	5.0
99.08083	1.2
105.07042	26.3
105.82575	0.9
107.04982	6.7
107.08604	20.3
109.06548	5.1
109.10161	14.2
111.04478	2.2
111.08096	9.1
113.06027	2.3
115.05509	1.8
117.07018	5.1
119.08588	23.2
121.06533	1.3
121.10152	21.5
123.08070	4.0
123.11722	5.1
125.00042	1.3
125.09638	2.0
129.07043	9.4
131.08591	16.9
133.06522	2.2
133.10149	15.8
135.11720	8.9
137.09621	2.0
142.07811	3.0
143.08549	2.0
145.10141	6.5
147.08084	2.2
147.11714	17.7
149.09612	4.7
149.13248	3.5
156.46196	0.9
157.10153	13.0
159.11688	3.3
161.13327	3.4
163.11186	2.2
163.14841	2.0
165.12799	2.6
173.13263	2.9
175.11224	13.2
175.14861	1.0
184.07312	8.2
185.07747	1.2
185.13310	1.0
187.14865	1.2
193.12271	42.7
197.13187	0.9
197.59052	1.0
211.13312	61.3
227.12885	1.3
243.21115	1.8
261.22186	10.5
267.15961	15.5
269.17413	1.0
285.16992	83.0
317.24683	1.7
335.25830	77.0
336.26239	2.6
349.09814	0.9
349.79770	1.1
373.99509	0.9
435.32776	1.3
453.33734	2.1
471.34665	1.5
527.37354	14.3
545.38416	100.0
546.39246	4.5
603.49445	1.0
742.46808	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01859	2.1
55.05275	0.7
55.05514	9.6
57.03197	0.8
57.03440	8.1
57.07076	1.1
61.02922	1.7
62.94440	0.6
65.03930	1.5
67.05508	24.9
69.03433	2.8
69.07066	8.4
69.61113	3.3
71.04984	2.2
71.07359	0.9
79.05496	22.6
81.03421	30.3
81.07058	30.7
82.10791	0.6
83.04977	7.3
83.08617	13.7
85.02444	0.8
85.02913	10.0
85.06534	1.6
86.09696	3.0
91.04906	0.7
91.05484	19.7
93.07048	21.1
93.07641	1.0
95.04375	0.8
95.04973	12.8
95.08609	20.6
96.04146	0.6
96.08922	1.1
97.02893	1.6
97.06525	2.5
97.10168	3.2
98.98490	0.6
99.08074	0.7
105.04468	0.9
105.06396	1.0
105.07034	13.0
106.78902	0.5
107.04946	2.6
107.08594	10.6
108.08886	0.6
109.06512	2.2
109.10161	7.3
111.04447	1.2
111.08100	5.3
113.05996	1.1
115.05477	0.7
117.07012	2.5
118.35471	0.6
119.08589	11.9
121.06500	1.1
121.10140	11.8
123.08080	1.9
123.11689	2.8
124.99983	1.7
125.09616	1.1
129.07014	5.3
131.08565	8.6
133.06482	1.2
133.10126	7.0
135.08060	1.0
135.11700	5.8
136.12027	0.8
137.09621	1.9
137.13214	1.0
142.07756	0.7
145.10130	4.0
147.08076	1.3
147.11700	8.5
149.09644	2.3
149.13319	1.9
151.11215	0.9
157.10121	6.4
159.11700	2.4
161.13252	1.2
163.11148	2.7
163.14844	1.3
164.11499	0.7
165.12823	1.0
173.13248	1.7
175.11198	7.8
175.14833	0.8
184.07353	7.4
187.14819	0.7
189.11346	0.7
190.62285	0.6
193.12247	22.3
201.16408	0.6
211.13295	35.7
227.12762	2.9
228.13184	0.9
243.21170	1.3
261.22098	5.5
262.22556	0.7
267.15921	7.2
283.15442	2.5
284.15753	1.6
285.16980	38.0
286.17322	0.9
317.24661	1.4
335.25812	46.3
336.26138	3.3
337.26724	1.7
435.32523	1.4
453.33731	1.2
471.34900	0.7
503.37482	1.2
527.37244	8.8
535.36163	1.0
543.36768	0.7
544.37366	0.8
545.38361	100.0
546.38861	3.4
563.39532	1.0
740.12769	0.8
742.43842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01859	2.1
55.05275	0.7
55.05514	9.6
57.03197	0.8
57.03440	8.1
57.07076	1.1
61.02922	1.7
62.94440	0.6
65.03930	1.5
67.05508	24.9
69.03433	2.8
69.07066	8.4
69.61113	3.3
71.04984	2.2
71.07359	0.9
79.05496	22.6
81.03421	30.3
81.07058	30.7
82.10791	0.6
83.04977	7.3
83.08617	13.7
85.02444	0.8
85.02913	10.0
85.06534	1.6
86.09696	3.0
91.04906	0.7
91.05484	19.7
93.07048	21.1
93.07641	1.0
95.04375	0.8
95.04973	12.8
95.08609	20.6
96.04146	0.6
96.08922	1.1
97.02893	1.6
97.06525	2.5
97.10168	3.2
98.98490	0.6
99.08074	0.7
105.04468	0.9
105.06396	1.0
105.07034	13.0
106.78902	0.5
107.04946	2.6
107.08594	10.6
108.08886	0.6
109.06512	2.2
109.10161	7.3
111.04447	1.2
111.08100	5.3
113.05996	1.1
115.05477	0.7
117.07012	2.5
118.35471	0.6
119.08589	11.9
121.06500	1.1
121.10140	11.8
123.08080	1.9
123.11689	2.8
124.99983	1.7
125.09616	1.1
129.07014	5.3
131.08565	8.6
133.06482	1.2
133.10126	7.0
135.08060	1.0
135.11700	5.8
136.12027	0.8
137.09621	1.9
137.13214	1.0
142.07756	0.7
145.10130	4.0
147.08076	1.3
147.11700	8.5
149.09644	2.3
149.13319	1.9
151.11215	0.9
157.10121	6.4
159.11700	2.4
161.13252	1.2
163.11148	2.7
163.14844	1.3
164.11499	0.7
165.12823	1.0
173.13248	1.7
175.11198	7.8
175.14833	0.8
184.07353	7.4
187.14819	0.7
189.11346	0.7
190.62285	0.6
193.12247	22.3
201.16408	0.6
211.13295	35.7
227.12762	2.9
228.13184	0.9
243.21170	1.3
261.22098	5.5
262.22556	0.7
267.15921	7.2
283.15442	2.5
284.15753	1.6
285.16980	38.0
286.17322	0.9
317.24661	1.4
335.25812	46.3
336.26138	3.3
337.26724	1.7
435.32523	1.4
453.33731	1.2
471.34900	0.7
503.37482	1.2
527.37244	8.8
535.36163	1.0
543.36768	0.7
544.37366	0.8
545.38361	100.0
546.38861	3.4
563.39532	1.0
740.12769	0.8
742.43842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28612	0.5
55.77810	0.5
56.06944	0.5
58.52725	0.5
66.36288	0.5
69.03416	0.8
71.50941	0.9
75.29620	0.5
81.03438	0.6
82.99836	1.1
85.02895	2.0
97.02889	0.7
101.00880	6.4
104.07595	0.5
109.02853	1.1
113.00851	1.3
115.02461	0.5
118.97465	0.7
119.01917	8.0
127.02399	2.0
127.03905	1.4
130.84241	0.5
131.01900	3.7
136.98502	1.9
143.01901	15.9
145.03477	4.9
152.05699	2.3
154.99739	0.5
155.01903	14.4
157.03462	5.0
160.98508	1.1
161.02965	12.1
163.04504	0.9
165.41026	0.5
166.99648	0.8
167.01900	8.6
169.03481	2.5
171.05017	1.7
173.02972	17.5
175.04607	0.9
178.99553	1.4
179.01900	4.1
185.02956	33.5
186.72183	0.5
187.03003	0.6
187.04420	3.3
191.04015	0.9
197.00687	1.4
197.02966	11.9
203.04012	6.8
209.02954	1.6
215.04045	6.5
221.00652	1.2
221.05121	1.6
227.04016	9.0
233.05057	0.6
239.01695	6.5
239.03900	0.7
245.05074	100.0
246.05304	2.1
257.02689	4.2
257.05087	6.3
263.06152	11.9
275.06131	10.2
280.99567	0.9
284.06708	0.7
286.07889	0.8
293.07172	2.2
305.07190	11.1
335.08160	3.1
347.08142	0.9
365.09305	29.0
366.09375	1.0
383.10278	1.2
401.07010	39.1
402.06812	1.3
410.58820	0.7
419.08014	1.0
425.11404	36.5
426.11414	0.8
437.11389	2.0
455.12686	4.6
485.13422	4.4
486.14050	0.6
527.14630	1.3
545.15857	1.0
774.24805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.6
55.01867	0.6
55.05506	1.5
57.03431	1.8
61.02930	4.8
67.05512	4.7
69.03432	3.1
69.07062	1.7
71.08617	0.4
73.02921	4.1
79.05492	4.1
81.03426	1.7
81.07056	5.8
83.08629	1.2
85.02908	4.8
86.09711	0.8
87.04476	0.6
91.03974	3.3
91.05473	3.2
93.07061	4.6
95.04960	1.1
95.08590	4.0
97.02898	3.6
97.10159	0.6
97.44075	0.4
99.04473	1.2
101.02396	1.9
103.03946	0.7
105.07050	2.1
107.08619	2.5
108.57631	0.5
109.02904	0.7
109.06485	0.5
109.10168	1.3
119.08595	1.3
121.10172	1.6
127.03932	1.7
131.08633	0.7
131.19240	0.4
133.10126	1.1
135.11711	0.7
145.10143	1.0
147.11734	1.6
159.11790	0.5
161.13242	0.6
171.11763	1.3
184.07364	0.7
243.08395	2.2
247.13202	1.5
308.58859	0.5
335.26129	0.6
465.20990	6.2
519.29199	5.4
557.92999	0.5
743.43433	100.0
744.43512	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	744.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01869	0.2
60.92589	0.1
67.05497	0.1
69.32066	0.6
77.03926	0.3
79.05494	1.2
81.03419	0.2
83.08606	0.1
85.02908	0.2
85.06523	0.1
91.05476	0.1
95.04974	0.9
98.21455	0.1
105.04523	0.4
105.07003	0.1
107.04961	100.0
108.05285	0.8
113.34010	0.1
119.04897	0.1
145.08670	0.2
156.34135	0.1
213.09081	1.5
213.11009	0.1
229.14540	0.1
239.12405	0.1
244.46333	0.1
272.65439	0.1
297.13300	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	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.6
55.01879	1.3
55.05515	15.1
57.03440	7.6
57.06825	0.5
57.07079	2.4
59.05007	3.4
60.08177	0.9
61.02926	4.2
65.03944	2.8
67.05509	97.4
68.05833	1.2
69.03439	2.1
69.07073	14.0
69.16945	5.6
71.04998	22.4
71.07363	0.8
71.08636	1.0
73.02898	0.8
77.03954	0.6
79.05498	37.7
79.07890	0.6
80.05861	0.7
81.03423	3.8
81.07060	41.8
83.04995	4.6
83.08620	9.2
85.02925	3.6
85.06543	3.3
86.09712	5.5
91.03997	1.1
91.04910	1.0
91.05486	24.1
93.07050	44.6
94.07390	1.0
95.04975	4.0
95.08614	33.8
97.02892	1.6
97.06525	4.7
97.10185	2.3
99.08086	1.2
103.05541	0.7
105.04554	0.7
105.07035	11.8
107.04978	0.7
107.08602	19.8
109.06529	1.5
109.10165	68.2
110.10503	0.8
111.08073	3.6
117.07024	4.7
119.08587	18.7
121.06535	0.7
121.10152	17.8
123.08114	1.0
123.11737	2.8
125.00026	2.8
125.09646	1.8
129.06995	1.0
131.08563	7.3
133.10126	7.7
135.11700	16.7
135.12729	0.9
137.09642	9.0
139.11243	1.2
143.08533	0.9
145.10135	7.6
147.11703	5.6
149.09622	0.6
149.13269	3.5
151.11250	0.8
155.10658	3.7
157.10168	1.3
159.11694	3.9
161.13297	3.4
163.11177	3.5
163.14827	1.1
165.12871	0.9
169.10150	0.6
169.12317	1.4
171.11684	1.2
173.11777	8.6
173.13301	2.6
175.14853	0.9
181.12271	1.7
184.07349	15.1
185.13217	0.5
187.13284	0.8
187.14822	1.1
193.12251	1.0
201.16522	0.6
211.13284	1.0
213.14893	0.9
213.46187	0.5
227.12776	0.6
229.14351	1.3
243.16023	2.0
243.21114	1.1
255.15923	5.7
259.20615	0.9
261.22107	2.8
267.16031	0.8
272.57626	0.5
285.17105	1.8
287.18567	16.4
317.24722	1.0
333.24326	0.6
335.25800	29.1
336.25992	0.7
337.27353	1.1
363.25186	0.6
366.31903	0.6
397.31070	1.0
423.32791	0.7
465.35861	1.2
471.34836	2.1
489.35767	100.0
490.36191	3.0
497.36551	1.0
503.37305	3.1
515.37396	12.1
547.39966	85.1
548.40143	3.1
744.46075	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	745.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
55.01870	0.7
60.90044	0.4
65.03944	0.5
67.05516	2.8
68.63210	0.4
69.03426	0.7
71.04984	0.4
71.32124	0.8
74.60049	0.4
79.05500	3.7
80.05007	0.8
81.03414	1.4
81.07055	0.7
83.04952	0.6
84.62389	0.5
85.02918	1.2
87.39658	0.4
91.05475	2.6
93.05797	0.7
93.07047	3.5
93.96803	0.4
94.06573	5.3
95.04988	1.2
103.05473	3.2
105.05806	0.7
105.07037	0.6
106.06564	1.2
106.45702	0.4
107.04957	0.5
107.07369	2.0
107.08568	0.5
108.08122	9.3
108.81505	0.5
109.02891	0.6
110.09695	0.9
118.06584	1.2
119.07373	1.1
120.04496	1.1
120.08115	19.7
121.10176	0.4
122.06040	35.8
122.09731	0.6
124.07580	1.0
132.08145	0.5
133.57248	0.4
134.06012	0.7
136.07588	26.5
138.05551	1.4
138.09151	1.4
148.07585	51.9
149.08350	0.5
150.09161	1.5
152.07144	1.0
156.08260	0.4
158.06030	0.6
162.05559	0.6
163.11150	0.6
164.07066	0.7
166.08624	2.7
167.07237	0.6
172.03987	0.6
173.11798	0.6
182.09660	0.7
184.07408	1.2
192.06532	0.4
193.12184	0.5
195.09183	0.6
196.09949	0.8
197.10782	2.1
199.08702	1.0
204.06567	1.0
207.09160	1.3
208.09808	2.2
209.10733	5.4
211.08597	1.2
211.12381	1.6
212.09341	0.6
213.10226	0.9
221.10764	3.0
222.07904	0.8
223.08691	4.0
223.12158	2.3
224.09479	1.9
225.10236	7.9
226.11060	0.5
227.11873	0.7
234.07848	0.7
235.08693	6.3
235.12340	0.5
236.09370	5.1
237.06831	0.5
237.07590	0.7
237.10222	13.8
238.11040	1.9
239.08258	1.5
239.11780	4.7
239.13931	0.6
241.09650	0.5
243.11320	1.1
247.08768	0.7
248.09583	1.0
249.10254	24.7
250.11035	7.0
251.08226	8.6
251.11873	11.8
252.08806	7.3
252.12607	1.3
253.09764	9.4
255.11276	1.0
261.10202	2.8
262.11020	0.7
263.08160	3.9
263.11829	1.2
264.08966	6.8
265.09741	17.2
266.10471	3.0
267.08286	0.5
267.11285	12.4
268.11975	1.2
269.09171	2.6
269.12872	0.5
271.10992	0.6
277.06665	0.7
277.07474	0.4
277.09756	20.2
278.10510	8.8
279.07761	10.9
279.11359	23.2
280.08499	2.2
280.11624	2.3
281.09238	2.7
282.10123	1.9
282.51932	0.4
283.10785	2.5
285.12457	1.2
289.09705	1.7
290.06879	0.7
291.07690	3.5
291.10944	0.9
292.08472	3.6
293.09232	7.3
293.12509	0.9
294.09946	0.6
295.10776	14.0
296.11655	2.1
297.08826	1.2
297.12381	1.2
298.09656	2.7
298.12939	0.7
299.10385	1.4
301.15790	0.5
303.13428	1.0
304.08566	0.7
305.09225	14.2
306.09943	2.0
307.10785	17.3
308.11548	4.3
309.08783	4.4
309.12344	1.6
310.09570	1.3
311.10306	10.0
311.13632	0.6
313.11819	0.6
314.13046	0.7
315.13745	0.5
321.08771	6.7
321.12311	0.7
322.09479	0.8
323.10306	14.9
324.10950	2.5
325.12018	1.4
326.12848	0.7
327.13568	0.8
328.14728	0.8
333.08701	6.2
334.09705	1.6
337.11984	1.7
339.09872	3.5
339.13519	0.8
340.10648	2.6
340.14365	0.9
341.15323	0.5
342.12292	1.3
342.16147	1.1
343.12949	2.6
344.13910	0.7
344.17722	0.8
347.10434	1.6
351.09784	40.0
352.10489	5.0
352.14322	0.7
353.11475	1.3
354.12442	1.5
355.12955	4.1
356.14026	1.8
358.15637	1.4
358.19571	0.6
364.14374	0.6
365.11261	2.5
366.12067	0.8
367.13120	0.9
368.14093	2.0
369.14789	1.1
370.11591	1.7
370.15674	1.9
371.12387	17.1
371.16174	0.8
372.12964	0.8
372.17160	1.4
380.14328	0.7
382.11432	0.7
382.15625	1.6
383.12399	13.4
384.13260	2.0
384.17365	1.6
385.14032	0.8
386.14975	1.5
386.19144	0.9
388.16711	0.7
392.13739	0.6
396.13672	1.3
398.14624	1.0
398.18845	1.4
400.16638	1.0
402.18359	0.7
410.15002	1.2
412.16818	1.6
413.17496	0.6
414.18420	1.3
415.15240	0.7
416.15933	0.6
417.16599	0.8
426.14716	0.8
428.16113	1.4
430.17657	1.9
438.14706	3.2
440.16058	1.4
442.17923	1.0
446.16721	0.6
456.15552	4.0
458.17123	3.8
462.20410	0.8
468.15417	0.7
476.18311	1.3
486.16629	13.2
487.17673	0.8
488.18457	1.5
490.19919	3.2
505.18588	1.2
518.19281	18.9
519.19806	1.4
536.20245	3.1
546.18689	3.2
547.19501	1.9
550.22510	0.5
562.18512	2.1
563.18658	1.4
572.16498	0.6
578.21393	12.4
579.22498	0.6
590.07996	0.5
590.17719	18.7
591.18408	30.5
592.19464	1.5
594.21069	3.9
595.24695	0.7
604.19495	1.4
622.20349	100.0
623.20599	9.0
683.27008	3.8
695.23254	1.4
709.23956	0.6
727.26044	5.7
745.36346	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	745.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82228	0.6
53.03944	0.8
55.05500	1.4
65.03957	0.8
66.08127	0.6
67.05499	1.1
69.03410	1.0
70.76777	0.6
71.53194	1.1
79.05484	1.9
81.03378	1.0
81.07061	0.9
87.66531	0.6
91.05457	1.9
93.07040	1.4
94.00995	0.7
94.06560	2.0
95.04950	0.8
95.08554	0.8
97.06534	0.7
103.05457	0.7
105.06982	0.7
108.04466	1.4
108.08095	2.1
109.10123	0.8
116.04961	1.7
120.04420	1.2
120.08098	5.2
122.06036	9.1
124.07592	1.0
132.08008	0.7
136.07587	9.5
144.04449	4.1
146.05998	1.2
148.07578	10.6
150.05492	0.9
152.07022	0.7
161.07074	0.8
162.05562	3.3
163.03928	0.8
165.09135	0.8
170.09717	3.8
172.03954	21.5
172.07602	0.7
172.11205	0.8
174.05513	1.8
175.08658	1.0
184.07469	1.3
185.08319	0.7
186.05501	0.9
186.09212	1.3
187.12326	4.0
190.05005	3.0
198.09163	21.5
200.09282	1.3
200.10887	1.3
204.06575	32.1
212.10797	5.1
215.11809	19.3
225.10194	1.0
226.08681	7.0
227.11858	1.3
229.09726	0.7
235.08574	0.8
236.09398	0.9
237.10176	1.0
239.11708	1.1
240.10345	3.2
241.09715	1.6
241.13458	1.6
242.10576	1.3
243.11316	100.0
244.11717	1.5
251.08180	0.7
251.11855	2.2
252.08649	1.6
255.11383	4.6
257.12872	4.9
265.09750	0.9
266.10175	0.7
267.11401	0.8
269.09097	1.8
279.11249	2.8
281.12717	0.8
285.12357	88.1
286.12634	2.1
301.11920	4.5
303.13416	99.8
304.13815	1.2
307.10773	3.0
315.09610	1.2
325.11920	2.0
328.87964	0.7
339.13422	5.3
411.12076	4.7
416.16147	1.0
418.17776	1.5
430.17685	1.4
443.14737	4.0
444.15131	1.6
462.16660	2.2
474.16602	3.3
494.19049	2.0
609.23248	1.7
625.26294	2.1
641.26117	1.2
669.25513	9.1
685.25000	1.9
713.24542	10.1
745.34583	15.1
746.35645	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.272
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20348	0.3
54.55022	0.3
55.01887	0.5
57.03456	0.4
57.83585	0.3
61.13737	0.4
65.03940	0.5
67.05490	1.0
69.03423	0.4
69.07057	0.5
69.38206	3.0
73.02956	0.3
79.05488	1.1
80.05018	0.5
81.03410	1.4
81.07040	0.5
85.02894	0.6
85.56335	0.4
87.90575	0.4
89.03914	0.6
91.05489	1.0
93.07047	1.1
94.06580	2.2
95.04952	0.4
97.02899	0.5
97.06535	0.4
98.20786	0.8
103.05479	1.0
105.03404	0.4
106.06565	0.5
107.08617	0.4
108.04474	0.6
108.08134	1.8
116.04972	2.0
118.06559	1.0
120.04465	1.3
120.08123	5.1
122.06037	9.6
124.07603	0.8
125.47842	0.4
129.06984	0.6
130.06557	0.5
132.04398	0.6
134.06017	0.7
136.07597	8.4
143.07263	0.4
144.04457	5.0
146.06020	1.4
148.07578	11.7
150.05495	1.5
152.07185	0.5
155.07356	0.4
155.08545	0.5
158.06068	0.6
160.03958	1.2
160.07626	0.9
161.07173	0.8
162.05519	2.1
164.07040	0.7
165.07893	0.5
166.08514	0.5
168.08020	0.4
169.08867	0.4
170.09683	2.8
172.03944	23.0
172.07550	0.9
172.11214	0.7
173.04410	0.5
174.05467	0.8
174.09245	0.6
175.08730	1.0
181.08905	0.4
182.09619	0.4
183.06767	0.4
184.11252	0.9
186.05418	0.7
186.09148	0.9
187.08688	0.7
187.12297	5.2
190.04982	3.7
197.10797	0.6
198.09164	23.4
200.09196	2.0
200.10883	1.2
201.10265	0.7
201.13919	0.7
204.06575	30.4
205.07033	0.4
208.09950	0.5
212.10799	4.7
213.10298	0.6
215.11812	20.0
216.12120	0.5
224.09291	0.5
225.10246	2.0
226.08664	6.4
227.08183	0.9
227.11861	1.4
228.08849	0.7
229.09750	0.7
229.13393	0.9
230.10448	0.4
231.11200	0.5
235.08708	0.5
236.09367	0.5
237.10216	1.2
238.10812	0.4
239.11899	0.7
240.10402	2.5
241.09636	1.9
241.13347	1.1
242.10497	1.5
243.11305	100.0
244.11729	1.1
249.10350	0.7
250.11008	0.6
251.08102	0.5
251.11781	2.0
252.08673	2.2
253.09726	0.4
255.11333	4.6
256.12009	0.7
257.12875	5.7
263.08234	0.5
264.08997	0.8
265.09705	1.4
267.11304	0.9
269.09293	1.4
277.09650	0.6
278.10635	0.5
279.11203	3.7
281.09503	0.4
281.12839	0.6
283.10995	0.8
284.11591	0.8
285.12354	84.3
286.12613	1.4
293.09323	0.5
297.12372	0.6
301.11844	4.2
303.13403	99.8
304.13776	1.7
307.10724	4.3
311.13870	0.9
313.11957	0.6
315.09769	1.0
325.11884	1.7
339.13403	6.0
341.15173	0.4
352.10953	0.4
359.12598	0.5
370.15778	0.6
383.12213	0.5
384.12872	0.4
385.15436	0.4
400.16632	0.6
411.11826	5.4
415.15207	0.6
418.17273	0.5
428.16177	0.8
430.17453	1.3
440.35648	0.4
443.14566	4.0
444.15488	1.1
445.16074	1.0
456.15427	0.9
462.16782	2.1
470.17371	0.9
474.16711	2.2
476.17865	0.7
488.18372	0.5
494.19183	1.5
499.71350	0.4
501.23071	0.5
565.24115	0.6
591.18396	0.6
609.23383	1.3
622.20599	1.8
623.24463	0.6
625.26624	1.3
627.24512	0.7
641.25818	1.1
669.25525	7.0
683.27228	1.2
685.24493	2.4
711.87708	0.4
713.24506	9.6
727.25848	2.1
745.36462	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01845	0.6
55.05507	1.5
57.03440	1.0
61.02932	4.0
63.85532	0.4
67.05511	4.5
69.03434	2.6
69.07072	1.6
69.17271	3.5
69.17672	0.5
71.01357	0.4
71.05003	0.5
73.02925	2.5
79.05516	3.3
81.03421	1.3
81.07075	5.0
83.05017	0.6
83.08632	1.1
85.02911	3.7
86.09738	0.4
88.08523	0.4
89.96466	0.3
91.03965	2.4
91.05480	2.0
93.07053	5.1
95.04974	0.7
95.08608	4.1
97.02901	3.8
99.04471	0.9
101.02393	1.5
105.07060	1.2
107.04952	0.6
107.08609	3.1
108.42274	0.4
109.02908	0.7
109.10167	1.2
117.06999	0.8
119.08605	1.7
121.10184	1.7
125.00034	0.7
125.09532	0.3
127.03954	1.0
131.08606	0.8
133.10175	0.8
135.11710	3.5
140.23564	0.4
145.04927	0.6
145.10153	1.7
163.11186	4.0
181.12238	0.9
184.07437	2.2
185.04300	0.5
202.87474	0.4
203.05357	0.6
219.09990	0.6
227.12755	2.9
243.08372	2.5
249.10992	9.4
249.13383	0.6
305.13605	2.3
309.11737	0.4
335.25906	0.5
447.89279	0.4
466.36728	0.5
467.18924	10.9
519.29358	5.1
583.36011	0.6
602.89301	0.4
745.41357	100.0
746.41595	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	745.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.01883	0.3
55.05513	1.4
57.03445	2.0
57.07063	0.4
60.08169	0.2
61.02930	5.6
65.03937	0.2
67.05509	5.2
68.05830	0.3
69.03084	0.3
69.03436	3.0
69.07066	1.7
69.26579	0.4
69.26978	1.5
71.01366	0.4
71.04999	0.6
71.07366	0.3
73.02925	4.4
79.05500	4.1
81.03423	2.0
81.07067	5.3
83.05006	0.4
83.08643	1.2
85.02914	5.7
86.09721	1.9
87.04478	0.6
91.03964	3.3
91.05491	2.2
93.07050	4.9
95.04987	0.5
95.08616	4.3
97.02899	5.0
97.06546	0.5
97.10199	0.6
98.20789	0.3
98.98454	0.4
99.04471	0.7
101.02397	1.4
103.03931	0.3
104.10831	0.2
105.07046	0.9
107.04958	0.3
107.08595	2.9
109.02892	0.7
109.06541	0.2
109.10156	1.5
115.03937	0.6
117.07039	0.8
119.08620	1.7
121.10159	2.2
123.11741	0.5
125.00013	1.4
127.03931	1.6
131.08606	0.9
133.10152	0.8
135.11690	2.6
137.09599	0.2
145.04997	0.3
145.10147	1.5
147.11700	0.4
149.13269	0.5
159.11710	0.5
163.11197	2.2
181.12236	0.4
184.07350	5.9
185.04279	0.5
185.07771	0.3
203.05305	0.4
219.09970	0.3
227.12856	1.6
243.08414	2.2
247.23918	0.2
249.11003	12.2
250.11336	0.2
258.70569	0.2
268.69638	0.2
305.13733	1.2
333.85638	0.2
335.25873	0.8
336.26309	0.4
465.44095	0.2
466.35800	0.3
467.18954	5.7
504.37546	0.5
519.29333	8.6
548.39789	0.4
573.48395	0.2
583.35968	0.5
583.43964	0.5
730.99921	0.2
745.41333	100.0
746.41754	4.9
746.54999	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.01859	0.4
57.03433	0.4
61.02929	0.4
64.87820	0.3
65.03946	0.6
67.05511	1.8
69.03436	0.7
69.07059	0.6
70.06580	0.5
70.27597	1.4
72.04715	0.3
73.02927	0.4
77.03963	0.4
79.05494	2.4
81.03414	1.0
81.07055	0.6
85.02919	0.8
86.09203	0.3
86.09704	0.6
89.03916	1.7
91.03928	0.5
91.05481	1.5
93.05779	0.4
93.07060	2.0
94.06571	3.7
95.04961	0.7
97.02879	0.6
97.06535	0.5
97.10155	0.4
98.21478	0.5
103.05460	1.5
104.04990	0.4
107.08576	0.8
108.08117	2.3
109.10187	0.4
116.04972	4.9
118.06520	0.7
119.04845	0.4
119.08598	0.5
120.04462	1.7
120.08113	8.0
121.10141	0.6
122.06034	20.1
124.07604	4.1
127.03932	0.5
132.04448	1.4
132.08122	0.5
134.06027	1.2
135.11723	0.4
136.07581	34.7
138.05498	0.6
138.09169	1.0
144.04453	11.7
145.05180	0.4
145.09995	0.4
146.06009	5.7
148.07584	18.0
150.05527	0.9
152.07050	1.5
158.06004	0.5
160.03951	7.9
160.07620	0.6
162.05515	4.6
164.07074	29.0
165.07809	0.5
166.08627	2.2
170.08157	0.5
172.03940	60.8
173.04356	0.8
174.05528	1.9
176.07054	0.4
178.05035	0.8
178.08536	0.5
182.08130	15.2
186.05511	1.4
186.09166	0.5
188.07095	0.7
190.04991	13.5
192.06572	0.9
193.12303	0.5
196.09763	0.4
198.11491	0.5
204.06564	100.0
205.06961	1.5
205.71033	0.4
206.08095	1.1
207.09183	0.9
208.09906	1.2
209.10771	0.5
210.11591	0.6
211.08633	0.5
211.12206	0.8
221.10748	0.8
222.07625	0.6
223.08900	0.5
223.12312	2.4
224.09239	0.6
225.10225	1.2
226.11018	0.5
227.09790	0.4
227.11807	0.8
232.06041	0.6
234.09291	0.6
235.08650	0.8
236.09358	2.3
237.10222	1.0
238.10968	0.7
239.11830	0.6
243.11177	0.6
249.10327	0.9
250.11006	1.6
250.88948	0.4
251.11870	4.4
252.08670	3.5
253.13371	1.3
255.11308	0.7
257.12982	0.6
263.08133	0.8
264.08960	1.5
265.09613	1.1
277.09760	0.7
278.10403	1.8
279.11295	13.3
281.12823	1.6
283.10660	0.6
283.14548	0.5
285.12503	0.7
287.13998	2.0
295.10580	0.8
297.12302	2.3
299.13885	3.0
303.13364	1.3
304.13791	0.6
305.14996	1.8
307.10767	13.3
309.12225	0.4
310.77814	0.4
311.13943	2.9
323.10281	2.5
325.11896	6.3
337.11761	0.7
339.13409	20.6
340.13757	0.7
341.15036	0.7
343.12903	1.8
351.55405	0.4
355.12805	0.7
357.14371	1.1
359.12436	0.5
367.12827	1.5
383.12411	1.5
385.13986	5.5
386.14316	0.5
387.15451	0.8
390.17990	0.6
393.10748	0.9
399.15900	0.6
411.11887	33.9
412.12219	0.9
415.14920	1.1
429.12885	3.1
430.17572	0.6
432.19135	1.2
443.14465	21.0
444.14786	0.7
445.15646	0.8
458.16660	0.6
464.18146	6.3
469.20734	0.4
472.18539	1.0
476.18390	2.2
478.19614	1.6
487.21295	0.9
490.19617	1.6
491.58533	0.4
496.20859	4.9
501.22852	1.2
518.19281	0.6
536.20013	0.5
541.61395	0.4
550.21729	3.5
562.18262	0.7
580.18536	1.1
592.19476	0.9
594.20844	8.0
608.22308	0.8
611.24634	1.6
629.25403	0.9
643.27466	0.5
657.30371	0.7
671.26868	3.0
685.28644	0.8
697.24396	0.9
715.26062	7.4
729.26862	2.7
731.90173	0.4
747.38354	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	747.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42336	0.8
56.69630	0.9
59.85585	0.9
65.03947	1.6
67.05511	1.3
69.03452	0.8
70.06587	1.4
71.53188	1.2
72.08176	1.2
78.62713	0.9
78.66405	0.8
79.05502	4.3
81.03430	1.1
81.07060	1.4
84.08147	0.9
85.02917	1.2
91.05479	2.9
93.07055	3.8
94.06583	6.9
95.04993	1.8
96.08160	1.5
103.05490	3.7
105.07060	1.5
107.08607	0.9
108.04478	1.5
108.08133	11.5
109.10112	0.8
110.09680	1.2
116.04984	2.8
118.06559	2.5
120.04510	5.3
120.08118	25.3
122.06029	12.1
124.07589	3.9
131.08519	0.9
132.08170	1.0
134.05998	2.0
136.07591	26.1
138.05557	7.1
138.09164	2.4
144.04460	6.5
146.06027	6.8
147.04533	1.0
148.07585	76.6
150.05537	2.0
150.09166	3.1
152.07060	1.0
160.03944	1.8
160.07523	1.0
162.05521	2.8
163.03902	1.8
164.07053	4.4
166.05028	4.3
166.08679	5.3
172.03949	33.0
174.05524	2.1
178.05038	1.0
182.08069	0.9
184.07408	1.3
186.05528	1.0
188.07118	1.1
190.04997	16.0
199.12328	1.7
204.06573	25.7
208.09711	1.5
209.10748	1.5
210.09319	1.0
210.11388	1.1
211.12312	1.6
212.09450	3.6
213.10284	1.9
216.06612	1.3
222.07794	0.9
222.11485	1.1
223.08733	1.1
223.12294	2.2
224.09340	3.2
225.10258	6.1
226.10976	2.6
226.24458	0.9
227.11858	6.3
235.08620	1.3
236.09444	3.1
237.10266	12.5
238.11066	3.0
239.08122	2.5
239.11674	4.3
241.09798	2.8
249.10278	1.9
250.07231	1.1
250.11086	1.1
251.08119	1.5
251.11830	7.5
252.08722	22.3
252.11626	1.0
252.12576	1.6
253.09746	8.8
253.13367	2.1
255.11307	8.7
260.05582	0.9
263.11801	2.2
264.08960	2.5
265.09756	18.2
266.10437	3.1
267.11243	5.5
269.12891	3.8
271.10760	4.7
278.06647	7.1
278.09952	1.1
279.11270	15.5
280.08368	2.8
281.09235	2.9
281.12885	6.7
283.10745	6.0
285.12347	2.7
287.13882	1.8
289.09988	1.2
291.11191	2.6
292.08289	4.3
293.09247	15.6
294.09991	2.8
295.10782	2.4
297.12299	9.0
299.10263	3.4
300.11261	1.3
307.10776	11.0
309.12454	6.4
311.10226	3.1
311.13611	1.4
312.11084	5.6
313.11789	4.4
315.13550	1.8
323.10272	2.1
325.11868	12.1
327.13287	1.6
333.14426	3.0
335.10275	8.3
339.13446	6.3
340.10516	2.6
341.11401	8.2
342.12167	1.6
353.11484	9.0
354.18829	0.9
355.41797	0.9
358.15366	1.1
359.12292	3.4
360.17120	1.6
365.11288	1.4
367.12860	1.1
372.17310	1.5
373.13852	4.4
385.13922	3.2
386.14694	1.0
390.18118	2.0
398.15039	1.4
399.15799	1.5
400.16534	1.7
411.11908	13.4
415.14868	1.4
416.15518	1.2
418.17432	2.2
429.12903	1.9
432.19077	1.9
434.36133	1.0
443.14441	10.4
446.17233	1.6
458.16995	2.6
460.18869	6.1
470.16827	1.3
476.21701	1.2
488.18192	26.9
504.21671	1.2
506.19357	4.0
507.20035	1.1
520.21167	4.4
524.20526	1.2
538.22278	1.0
548.20422	3.6
551.19031	12.1
564.19763	4.5
574.18048	2.8
592.19287	100.0
593.19757	3.3
596.22186	2.7
606.20612	2.5
607.21454	3.8
611.25824	2.0
624.21924	21.7
653.25952	1.8
697.25049	10.6
715.25659	2.3
747.32135	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	747.377
Annotation	Pandicine
Peak:m/z	Relative Intensity
53.03959	1.1
55.05510	1.2
57.03437	1.1
57.73263	0.6
59.05006	0.8
61.02930	5.5
67.05520	2.6
69.03434	2.8
69.07082	1.9
69.42448	5.4
70.06620	0.8
71.05002	1.4
73.02921	3.2
75.82582	0.7
79.05508	3.6
81.03416	5.9
81.07062	3.6
83.08633	1.6
85.02901	4.2
85.06554	0.9
91.03981	3.0
91.05478	3.9
91.91096	0.6
93.07047	3.1
95.04979	2.3
95.08612	1.5
97.02904	3.9
97.06551	2.5
98.20734	1.1
99.04443	0.9
101.02396	1.8
105.07050	1.9
107.05019	0.7
107.08640	1.4
109.02888	0.8
109.10184	0.8
116.75381	0.7
117.85028	0.6
119.08617	1.9
120.08120	1.0
121.10178	2.7
127.03926	1.3
129.07021	1.2
131.08603	2.8
133.10170	2.3
139.11137	1.0
147.04459	1.1
147.11674	1.7
148.07597	1.0
149.09648	3.0
157.10207	1.9
175.11191	1.2
193.12315	1.5
225.14981	0.7
243.08556	2.6
253.09712	0.8
267.16000	1.5
269.13428	1.4
283.15091	4.1
322.65216	0.7
339.18362	0.9
443.18848	5.5
469.20520	3.6
487.21591	6.9
501.23059	14.7
624.21948	0.8
646.92792	0.8
657.30750	1.6
703.34839	3.5
729.37268	1.8
747.37817	100.0
748.37848	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	748.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07005	0.1
53.57002	0.1
55.05511	0.2
56.05034	0.7
57.07072	0.5
58.06620	0.5
60.08167	5.7
60.82153	0.2
67.05508	0.3
69.07059	0.2
69.18499	1.2
69.18917	0.4
71.07375	3.1
71.08638	0.5
73.06561	0.2
79.05486	0.3
81.07069	0.3
83.08602	0.2
85.10192	0.4
86.09708	27.8
87.04453	0.3
87.10045	0.3
89.06036	2.2
93.06992	0.2
95.08591	0.2
98.98469	2.7
104.10757	1.7
107.08620	0.2
117.09100	0.2
121.06518	0.1
125.00011	18.3
133.08615	0.7
156.62308	0.2
177.11211	0.2
184.07344	100.0
185.07704	1.4
216.05240	0.2
229.21672	0.2
235.73874	0.2
311.25882	0.3
316.76062	0.2
320.41013	0.2
450.22604	0.2
712.45514	7.6
713.45313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.476
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59378	0.1
54.95004	0.1
55.05510	0.3
56.05036	0.7
58.06364	0.2
58.06633	0.5
60.08167	6.1
67.05494	0.6
70.06593	0.1
71.01817	0.4
71.07372	3.2
71.07758	0.2
79.05487	0.2
81.03413	0.1
81.07043	0.3
83.08630	0.2
85.02867	0.2
86.09709	29.7
87.10054	0.2
91.05473	0.3
92.02157	0.1
93.07069	0.2
95.08643	0.2
98.98465	2.8
104.10747	2.0
105.07058	0.2
107.32612	0.1
109.10121	0.1
121.10188	0.2
125.00010	19.7
166.02689	0.1
184.07347	100.0
185.07704	1.0
205.38228	0.1
229.42969	0.1
278.17654	0.1
325.61343	0.1
358.98999	0.1
391.21951	0.1
541.09589	0.2
633.47113	0.2
712.45483	8.4
713.45184	0.4
748.43225	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	749.4444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49190	0.4
53.03934	1.5
55.01868	0.6
55.05506	2.0
57.03443	2.4
57.07072	2.6
60.08174	0.5
61.02655	0.5
61.02933	6.4
65.03955	0.5
67.05507	7.8
69.03430	4.2
69.07068	2.1
71.04996	2.9
71.07323	0.4
71.08636	2.2
71.18063	1.1
71.36252	0.5
73.02918	4.2
75.30666	0.4
79.05489	3.7
81.03423	6.0
81.07063	6.4
83.04983	1.1
83.08624	3.1
85.02901	5.4
85.10222	1.0
86.09711	3.4
87.04467	0.9
91.03964	4.0
91.05495	3.7
93.07050	4.6
95.04975	2.5
95.08610	5.6
97.02898	5.6
97.06539	1.1
97.10205	0.9
98.98465	0.6
99.04449	1.0
101.02390	2.2
103.03950	0.6
105.07018	2.6
107.04980	0.7
107.08625	3.0
109.02881	1.0
109.06554	0.5
109.10150	3.4
111.08112	0.6
113.74066	0.5
115.34665	0.5
119.08585	2.1
121.10173	2.1
123.04427	0.5
123.11748	0.9
124.99998	2.7
127.03927	2.0
131.08607	1.3
133.10135	1.4
135.11702	1.6
137.09612	0.7
142.91632	0.4
145.10133	0.6
147.11697	0.9
148.17137	0.4
157.10143	0.5
160.11259	0.7
163.11255	0.7
173.11792	0.7
175.11153	0.8
184.07344	11.3
185.04175	0.9
185.07724	1.2
193.12267	2.4
195.00359	1.1
236.83116	0.4
239.23795	1.1
243.08501	2.3
252.50354	0.5
253.14171	1.7
258.09039	1.1
267.15900	5.1
309.17050	0.7
313.27411	5.8
335.25964	1.0
335.63098	0.5
341.61786	0.5
471.21832	4.3
475.58316	0.4
487.34192	2.0
505.39139	4.3
519.29340	8.4
547.39679	0.6
659.35352	1.1
749.44440	100.0
750.44733	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	752.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	2.0
55.01849	1.0
55.05511	6.4
57.03440	12.1
57.07078	27.0
60.14107	0.5
61.02892	0.9
65.03922	0.7
67.05505	12.2
69.03405	1.1
69.07072	7.7
69.77153	3.2
71.04967	1.5
71.08636	20.3
79.05494	7.6
81.03419	57.0
81.07056	17.2
83.04983	2.8
83.08624	17.4
83.17068	0.6
85.02899	0.8
85.06531	1.4
85.10183	11.8
86.09685	2.1
89.06004	0.9
91.05486	9.8
93.07049	5.8
95.04401	0.8
95.04973	16.8
95.08603	17.4
97.02864	1.6
97.06517	1.2
97.10165	3.9
98.89357	0.6
99.08080	1.0
99.11709	1.3
103.07573	1.0
105.07024	6.4
107.04968	4.2
107.08623	3.2
109.06490	2.4
109.09479	0.7
109.10165	8.5
111.04435	0.9
111.08089	5.3
111.11703	1.1
117.06984	1.4
119.04906	0.9
119.08596	7.6
121.06490	1.8
121.10143	4.2
123.04430	0.9
123.08025	1.1
123.11724	2.7
124.99968	2.1
129.05470	0.6
129.06998	5.7
131.08572	6.0
133.06487	1.4
133.10176	3.7
135.11649	0.9
137.09587	1.5
137.13148	0.8
142.07771	1.3
145.10083	1.0
147.04355	0.5
147.08031	2.0
147.11664	4.9
149.09615	3.8
157.10120	5.6
165.12738	1.0
175.11186	6.6
184.07309	9.1
193.12251	21.7
211.13318	1.3
235.13422	0.7
239.23705	1.6
249.14871	1.6
257.24683	2.8
259.13202	0.7
267.15918	100.0
268.16208	1.3
301.14371	1.0
304.26364	2.1
309.16980	1.4
313.27368	98.4
314.27753	1.7
320.25778	1.5
335.25818	1.3
505.38892	79.3
506.38956	2.7
523.40222	1.2
547.40045	3.5
566.91083	0.6
601.40991	1.4
613.40424	0.6
631.41913	0.9
752.47260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.3
55.01866	5.7
55.05512	27.1
55.66468	1.8
56.84854	1.6
57.03437	11.7
57.07073	3.1
65.03926	5.0
67.05508	74.3
69.07069	17.3
71.04984	2.7
77.03910	2.3
79.05498	84.4
79.80179	1.8
81.03425	6.0
81.07061	65.2
83.04978	12.2
83.08631	9.9
85.06535	4.8
85.09257	1.9
91.05484	95.2
93.07049	100.0
95.04966	16.4
95.08608	47.0
97.06527	6.9
97.10168	4.6
98.21521	4.2
99.08078	5.0
105.04528	4.3
105.07031	86.5
107.04958	7.4
107.08597	35.1
109.06529	5.5
109.10179	9.9
111.08065	2.2
115.05455	2.3
117.07022	25.1
119.08584	67.9
121.06489	2.7
121.10122	18.5
123.08081	6.3
123.11716	2.7
128.06245	3.8
129.05484	2.0
129.07019	25.1
129.77901	1.7
131.08575	26.0
132.09332	2.7
133.10129	42.1
135.11711	20.4
141.06979	2.2
142.07777	3.2
143.08583	16.1
145.10124	30.6
147.08015	4.3
147.11691	65.4
147.12814	4.0
149.09552	3.3
149.13271	8.8
155.08495	2.7
157.10123	8.3
159.11711	18.1
161.09624	5.5
161.13266	31.4
163.11217	3.6
163.14789	3.1
169.10069	2.6
171.11671	32.3
173.13293	9.3
175.14821	16.1
177.12790	2.5
185.13211	9.1
187.14894	3.0
189.12735	8.6
197.13324	2.9
199.14928	6.5
201.16545	2.0
207.13791	20.4
213.16393	2.8
231.21106	5.1
237.16582	1.8
241.19514	27.5
243.21111	3.2
257.19009	5.6
259.20578	62.6
261.22211	2.8
279.15924	19.4
281.17484	78.1
287.20230	2.4
311.36682	1.9
315.23227	6.6
333.24234	48.5
429.31461	3.2
447.32590	8.8
465.33688	7.3
483.34543	4.4
521.36237	3.5
539.37335	89.5
540.37555	2.5
557.38470	31.0
558.38031	2.6
771.69476	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	754.4948
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01875	3.0
55.05267	2.5
55.05516	29.1
57.03434	12.3
57.07082	34.4
59.04985	2.6
60.08147	1.7
61.00513	1.5
61.02926	3.9
64.54736	1.6
67.05508	52.9
69.03434	2.7
69.07073	11.6
71.04972	2.8
71.08637	23.3
71.53534	1.9
79.05500	14.3
81.03419	3.8
81.07065	26.9
83.04968	1.9
83.08628	19.5
85.02919	10.6
85.06564	1.8
85.10189	10.3
86.09718	12.3
87.04453	4.4
89.06020	2.3
91.03952	2.0
91.05466	6.6
93.07038	7.1
95.04967	2.4
95.08609	24.5
97.02881	2.4
97.06499	2.1
97.10179	23.1
97.56424	1.7
103.03934	1.8
105.07021	2.7
107.04948	2.1
107.08606	10.0
109.10164	41.7
110.10439	1.6
111.08101	2.7
117.07033	1.7
119.08586	3.0
121.10159	2.9
123.11716	2.1
125.00002	7.0
125.09639	15.1
133.10161	2.0
135.11687	3.2
137.09627	2.6
143.10695	4.1
145.10132	3.3
155.10667	3.7
173.11749	10.8
177.12677	1.6
184.07338	35.5
191.10654	1.5
199.13290	13.5
209.11845	1.9
227.12791	6.0
229.14352	51.5
239.23773	4.5
257.24750	2.0
283.15482	3.7
297.17130	3.7
301.16467	23.6
313.27368	100.0
314.27921	2.1
335.25867	4.9
341.26730	1.8
434.77322	1.5
437.36295	6.4
455.37363	14.2
467.37335	31.8
489.35782	1.6
539.39337	15.5
557.39081	4.8
614.56769	1.8
650.43658	2.4
754.49390	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	756.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
53.31726	0.6
55.01869	3.7
55.05268	1.2
55.05512	14.1
57.03433	8.1
61.48185	0.7
63.36492	0.6
67.05505	19.7
69.03426	3.2
69.07072	4.5
70.47846	1.6
70.48176	1.1
71.04996	3.9
79.05075	1.4
79.05498	18.1
81.03421	50.0
81.07057	18.6
83.04990	3.7
83.08150	1.2
83.08620	14.5
85.02886	1.4
85.06533	1.3
87.04465	0.7
91.05486	15.5
93.04668	0.6
93.07048	14.0
93.65829	0.6
94.97253	0.8
95.04971	18.3
95.08620	9.0
97.02869	2.4
97.06526	3.2
97.10169	15.6
105.07036	11.9
107.04958	13.0
107.08598	10.6
109.06524	8.3
109.10128	4.8
111.04429	1.6
111.08082	5.9
115.05481	1.7
117.07023	5.0
119.04948	1.3
119.08583	8.9
121.06500	9.8
121.10149	8.2
122.48087	0.6
122.94396	0.6
123.04495	1.8
123.08090	4.0
123.11684	2.0
125.06000	1.0
125.08769	1.1
125.09637	13.3
126.03439	0.7
128.06300	0.7
129.07011	7.0
131.04883	2.1
131.08574	10.9
133.06477	5.0
133.10129	4.2
135.08043	4.6
135.11697	2.4
137.09624	1.7
141.07021	1.2
142.07776	1.3
143.08583	2.1
145.06496	6.0
145.10132	5.1
147.04428	2.0
147.08054	4.4
147.11667	5.6
149.06039	0.9
149.09637	5.3
151.07436	0.7
153.09102	2.5
153.12737	0.8
153.70071	0.8
155.08575	2.1
157.06509	1.7
157.10120	6.0
159.08067	1.3
159.11722	2.1
161.06053	1.0
161.09663	1.4
163.11194	3.3
165.09125	4.1
165.12712	1.3
167.10678	1.6
169.10179	1.4
171.08078	1.4
171.10246	1.6
171.11697	2.2
173.09586	1.7
173.13263	1.5
175.07552	0.8
175.11191	6.0
177.05460	0.9
177.12776	1.5
179.08664	0.7
181.10078	0.7
185.09734	0.9
185.13206	1.1
187.11241	1.6
187.14777	1.2
189.11208	6.5
189.12801	1.8
191.14328	1.3
193.12260	16.0
193.13908	1.4
195.11719	1.6
197.09663	0.9
197.13254	2.1
197.15112	0.8
199.11165	1.9
201.12779	0.9
205.12242	1.2
211.11317	0.9
211.13239	1.6
213.12708	1.4
215.14362	2.3
217.12173	1.2
219.13795	3.2
223.13306	1.9
225.12703	0.8
227.12642	1.7
231.13756	1.0
233.15349	5.2
235.13271	0.8
237.12735	2.1
237.14949	0.8
245.15511	1.3
249.14967	1.5
251.67409	0.7
255.13800	1.9
257.15366	0.9
259.13162	1.5
267.15909	34.1
268.16180	1.0
273.14731	6.5
282.75314	0.8
287.16443	0.7
293.17288	0.9
339.23096	1.7
349.21698	4.0
357.24271	2.2
367.22629	14.7
385.23764	19.4
403.24661	7.0
405.24423	1.0
441.26385	11.4
459.27426	100.0
460.27658	2.4
477.28491	91.9
478.28867	2.7
491.30048	14.2
501.28378	2.2
509.31345	4.2
541.33954	1.0
567.29407	1.7
582.46655	0.8
585.31287	1.0
732.89819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.0
55.01857	3.6
55.05515	12.7
57.03444	8.1
57.07068	1.8
61.02928	1.7
61.31955	1.5
67.05177	2.2
67.05515	28.6
69.03446	1.4
69.07072	11.9
69.95367	5.4
69.95770	2.5
71.04989	1.9
71.66143	1.5
79.05072	2.8
79.05500	39.2
81.03410	4.1
81.07069	33.2
83.04994	4.4
83.08622	9.6
85.02966	1.5
85.06535	1.4
86.09698	5.7
91.05493	34.6
93.07055	51.0
95.04984	8.7
95.08616	44.5
97.02864	4.2
97.06546	3.5
97.10165	2.2
99.04458	2.6
105.04479	1.4
105.07040	34.6
107.04969	8.2
107.08606	42.0
109.06502	2.1
109.10159	6.5
111.04469	1.7
111.08083	1.8
117.07027	15.5
119.08593	36.3
121.06516	6.2
121.10136	20.7
123.08054	2.0
123.29332	1.5
125.00021	6.2
125.06018	3.3
129.07004	4.1
131.08591	11.0
133.10141	27.5
133.24701	1.4
135.08067	3.4
135.11699	49.2
139.11224	1.7
143.08559	4.5
145.10143	32.1
147.11700	21.1
149.13295	4.3
151.11139	1.4
157.10115	4.0
159.11690	11.0
161.13264	19.7
163.11197	49.0
163.14865	3.1
170.64049	1.4
171.11700	6.2
173.13261	5.7
175.14841	8.7
181.12285	11.5
184.07368	22.1
185.13219	7.0
187.14944	1.6
189.12917	1.5
193.12177	1.6
198.06192	1.4
199.14821	3.5
204.13864	1.5
213.16335	1.5
227.12810	74.7
231.21106	5.5
241.19537	23.9
259.20599	70.0
267.15891	3.2
275.19992	3.8
283.15430	74.0
285.17023	1.6
315.23288	9.3
333.24268	100.0
334.24588	2.6
349.23816	1.7
357.01987	1.8
478.97635	1.6
541.35339	56.2
559.36536	17.4
691.96442	1.4
743.60266	1.5
781.00458	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	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.9
53.03939	3.1
55.01877	3.8
55.05514	18.6
57.03444	10.7
57.07048	1.9
59.04994	2.7
60.08157	0.6
61.02930	4.5
65.03922	1.8
67.05508	46.0
68.89230	0.5
69.03411	2.2
69.06733	0.8
69.07072	10.7
69.23944	1.2
69.24352	3.7
71.01337	1.6
71.04964	2.2
71.08618	0.9
73.02896	2.2
77.38841	0.5
79.05495	31.3
81.03423	3.5
81.07059	50.0
83.04970	3.3
83.08617	13.9
85.02904	3.9
85.06528	2.7
86.09705	5.3
87.04441	0.5
91.03931	1.8
91.05482	27.5
93.07047	40.0
95.04965	4.7
95.08611	32.2
96.90765	0.5
97.02898	5.2
97.06541	3.3
97.07067	0.6
97.10165	3.5
98.98491	0.6
99.00216	1.0
99.00824	15.9
99.04475	1.3
99.08072	1.0
103.05444	1.6
105.04491	1.7
105.07033	23.9
107.04968	4.6
107.08597	23.8
109.02143	0.7
109.02877	10.4
109.06538	3.3
109.10158	18.2
111.04433	0.9
111.08099	3.3
113.06030	0.6
115.03934	2.9
117.07020	6.0
119.08579	15.3
121.02879	0.7
121.06520	6.3
121.09341	1.1
121.10153	13.3
123.04393	1.6
123.08037	2.1
123.11710	6.3
125.00025	3.5
125.09610	0.8
127.03900	1.5
128.06178	1.4
128.22528	0.6
129.07037	0.6
131.08572	7.7
133.06473	1.4
133.10138	38.0
135.08023	0.9
135.11696	9.8
137.05974	1.3
137.09595	1.8
137.13222	1.4
139.07535	2.5
143.08559	5.1
145.06503	1.2
145.10121	7.9
147.11717	3.8
149.09671	0.8
149.13277	5.0
151.11171	9.5
159.11720	3.9
161.08322	0.9
161.09631	15.7
161.13240	3.4
163.11130	0.7
163.14835	3.1
165.09119	1.1
171.08076	4.0
173.13225	3.6
175.14812	0.8
177.12717	0.6
177.16435	0.8
179.10664	8.5
179.18637	0.6
184.07350	19.5
185.13231	0.9
187.14803	2.0
189.09122	8.6
197.11726	3.3
197.13313	0.6
207.10141	2.5
208.53375	0.6
225.11208	12.0
227.12759	1.0
233.22746	0.9
241.19458	0.7
243.12329	2.5
243.21085	4.2
248.34262	0.6
259.20490	0.9
261.22150	17.9
275.89389	0.6
277.21634	1.2
279.23154	0.6
281.13800	3.3
287.23648	0.8
299.14893	92.8
300.15176	1.5
315.23169	3.1
317.24823	3.5
333.24307	1.1
335.25806	100.0
336.26187	2.0
421.30902	0.9
431.29602	0.7
449.30389	1.3
461.28946	0.6
467.31607	4.3
485.32520	3.3
513.36060	2.5
515.37317	1.6
531.36975	2.9
541.35193	9.7
542.35559	0.5
559.36316	52.6
560.36566	1.5
577.37378	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00317	3.1
53.03933	2.8
53.92557	0.5
55.01871	3.7
55.05515	18.9
57.03440	11.7
57.07054	2.0
59.04992	2.4
60.08152	0.6
61.02933	4.0
65.03929	1.6
67.05508	42.8
69.03423	2.0
69.06740	0.6
69.07069	8.4
69.24124	5.2
70.53545	0.5
71.01321	1.3
71.04974	2.0
71.07380	0.6
73.02902	1.8
79.05495	28.1
81.03430	4.0
81.07060	48.4
83.04983	3.0
83.08156	0.8
83.08625	12.3
85.02919	3.6
85.06523	2.3
86.09713	4.5
86.51256	0.5
88.52312	0.5
91.03928	1.5
91.04919	0.7
91.05488	25.3
93.07047	38.2
95.04993	4.0
95.08611	30.5
97.02903	6.1
97.06525	3.8
97.10145	2.3
98.98499	0.6
99.00222	1.0
99.00824	14.5
99.04456	1.3
99.08099	1.1
103.05450	1.2
105.04524	1.0
105.07037	23.0
107.04962	4.6
107.08598	21.4
109.02888	9.5
109.06514	3.1
109.10163	19.2
111.08083	4.0
113.06030	0.6
115.03925	2.1
117.07038	5.7
119.04931	1.6
119.08591	11.6
121.06516	6.5
121.09335	1.0
121.10153	12.8
123.04421	1.9
123.08068	1.6
123.11729	6.4
123.17264	0.6
124.99979	3.2
125.09650	1.0
127.03914	2.8
127.07541	0.6
128.06204	1.6
128.19925	0.6
129.06999	1.3
131.08577	7.6
133.06474	1.4
133.10138	38.7
135.08081	1.3
135.11693	8.6
137.05971	1.7
137.09621	1.5
137.13225	1.4
139.03964	0.6
139.07552	3.6
139.08473	0.6
143.08585	5.5
145.06502	1.7
145.10150	5.2
147.08012	1.5
147.11707	3.6
149.13287	5.5
151.11206	11.5
157.10112	0.8
159.11722	3.8
161.09624	16.6
161.13240	3.5
163.11180	1.2
163.14824	2.7
171.08095	4.0
171.11623	0.7
173.13237	2.8
175.14778	1.4
179.10684	9.6
184.07359	15.8
185.13202	0.7
187.14839	2.0
189.09113	8.6
197.11720	2.5
207.10182	3.2
225.11215	13.6
227.12802	0.8
233.22643	0.7
243.12268	3.2
243.21075	5.4
259.20413	0.7
261.22131	16.5
271.16815	0.7
277.21619	1.3
281.13806	3.2
299.14902	100.0
300.15387	1.4
315.23190	2.9
317.24792	3.2
333.24207	0.8
335.25809	78.8
336.26147	2.3
353.27094	0.8
421.31061	1.0
439.31900	1.2
449.30386	1.7
467.31540	4.1
485.32556	3.1
513.35834	2.3
515.37103	1.2
531.36597	2.2
541.35248	8.2
559.36359	36.0
560.36597	1.5
577.37512	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	756.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.2
56.05042	0.7
58.06366	0.3
58.06640	0.5
59.07409	0.1
60.08167	5.8
67.05502	0.4
68.98727	0.1
69.07069	0.3
70.91092	0.3
71.07378	3.0
71.08625	0.1
79.05502	0.2
81.07050	0.4
83.08627	0.2
86.09709	28.3
91.05537	0.2
93.07043	0.2
94.06552	0.2
95.08605	0.3
98.06040	0.2
98.98469	3.2
104.10754	1.9
125.00010	18.0
154.16556	0.2
184.07347	100.0
185.07693	0.5
190.70834	0.2
304.26245	0.2
306.27905	1.3
308.29611	0.2
322.27457	0.6
337.27280	0.4
496.34125	0.2
681.93182	0.2
756.42590	0.2
756.55402	4.2
757.55115	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02540	0.1
56.05039	0.5
57.07056	0.1
58.06623	0.4
59.06201	0.1
59.07378	0.2
60.08164	6.2
65.85777	0.1
67.05500	0.1
69.51894	0.2
69.52307	0.4
70.06567	0.2
71.07377	3.3
79.05478	0.3
81.07047	0.2
86.09707	30.1
87.10043	0.2
93.07032	0.2
95.08614	0.2
97.10229	0.1
98.20766	0.2
98.98465	2.9
104.10753	2.0
108.44128	0.1
125.00007	20.1
143.00981	0.2
166.02638	0.2
184.07341	100.0
185.07712	0.6
186.58107	0.1
306.03067	0.1
393.71085	0.1
496.34280	0.1
635.36951	0.1
756.55408	3.9
757.55377	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51013	0.1
56.05033	0.8
57.07061	0.1
58.06620	0.5
59.07122	0.1
59.07384	0.1
60.08164	5.6
60.98311	0.1
65.43517	0.1
67.05514	0.2
69.70807	0.1
70.06602	0.1
71.07375	3.4
75.11641	0.1
79.05493	0.2
81.07041	0.2
83.08624	0.1
85.10196	0.1
86.09705	29.2
87.10037	0.1
91.05488	0.2
93.07035	0.2
95.08593	0.2
98.98463	3.2
104.10740	2.2
107.08559	0.1
114.28522	0.1
116.17500	0.1
119.11714	0.1
125.00003	20.1
143.01039	0.1
163.26619	0.1
166.02675	0.1
184.07338	100.0
185.07671	0.5
229.18488	0.1
478.32922	0.1
496.33911	0.2
707.74957	0.1
756.55328	3.6
757.56360	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	757.2192
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
53.03936	0.2
55.01865	0.3
55.05507	0.4
57.03442	1.7
61.02913	0.7
67.05478	0.2
68.99802	0.2
69.03430	1.1
70.06592	0.2
70.67866	0.3
70.68217	0.2
71.01364	0.3
71.04996	11.2
72.90170	0.2
73.02925	1.0
75.04475	0.5
79.05471	0.2
81.03416	0.5
83.04993	2.5
85.02910	16.2
86.93442	0.2
87.04449	0.4
91.03934	0.2
93.03391	0.2
95.04955	0.6
97.02901	1.1
97.06570	0.2
99.04450	0.6
100.56216	0.1
109.02861	0.5
111.00819	0.6
111.04445	1.8
113.06049	0.3
117.05476	0.5
121.02856	0.7
121.06485	0.2
123.04411	0.2
125.06052	0.2
127.03947	0.7
129.04520	0.2
129.05484	4.7
135.04379	0.2
137.02344	1.7
145.04929	0.7
147.06529	1.9
149.02354	0.5
149.05923	0.2
153.01833	2.6
153.05473	0.7
157.04944	0.2
161.05904	0.2
163.03867	0.4
163.06046	0.6
165.01849	1.5
171.06566	0.3
183.02962	0.7
195.02937	0.2
201.05484	1.0
201.07141	0.2
213.05621	0.2
213.07599	0.3
221.08208	0.2
229.04982	2.8
239.09283	0.8
247.05981	0.5
257.04477	2.5
257.10123	0.3
274.04773	0.4
275.11279	0.4
284.36050	0.2
285.03940	0.8
293.12323	0.2
303.05002	100.0
304.05362	1.8
315.04776	0.3
345.06061	0.6
369.06183	0.3
412.76346	0.1
449.10831	0.9
465.10373	2.4
574.65289	0.2
695.18927	0.2
737.44977	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	757.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
63.34632	1.1
67.05505	2.6
69.37248	1.0
71.53166	1.9
79.05495	2.0
81.03421	1.9
81.07056	2.8
87.04391	1.5
90.53634	1.1
91.05473	1.5
93.05775	1.7
93.07024	1.9
94.06563	2.4
105.07027	1.5
108.08129	8.4
136.07550	8.2
148.07571	1.1
164.07045	8.8
165.09151	1.4
178.08720	1.7
218.89307	1.1
235.08778	1.6
237.10045	1.4
249.10138	2.2
265.09863	3.3
277.09698	3.9
279.11362	1.4
291.11298	1.3
293.09149	1.8
295.10971	1.2
303.11093	1.3
305.09277	1.9
307.10709	2.8
309.12088	1.6
311.14221	1.2
319.10742	3.4
333.12329	1.5
338.12897	2.6
339.13696	3.6
340.14450	3.0
351.13721	1.3
352.14502	2.3
353.11438	3.7
353.15240	1.5
354.12204	2.4
354.16058	3.1
359.10178	1.8
365.11267	2.8
366.12393	3.5
367.13123	5.1
368.13916	8.7
369.14868	1.7
370.15622	2.5
379.13034	1.5
380.13748	4.3
382.11386	2.5
382.15552	7.7
394.11447	2.6
395.12558	3.2
396.13440	10.7
398.14874	2.8
404.15509	1.4
408.13177	2.3
409.14282	2.6
410.15262	7.6
411.15656	3.2
412.16962	1.5
422.15488	2.1
424.12534	2.9
424.17609	1.5
426.14081	2.5
428.15820	1.4
438.14413	3.1
440.16144	2.2
442.17889	1.9
452.16400	3.0
456.15454	2.8
457.16568	1.5
458.20325	1.6
470.16898	3.9
480.15448	1.6
484.14807	1.6
486.20288	2.7
498.16452	4.0
516.17627	1.6
530.18921	3.4
548.20514	2.0
558.18805	8.3
559.19165	1.7
590.21436	15.1
602.17822	8.8
603.18518	24.1
604.18890	3.7
613.33966	1.6
634.20349	100.0
635.20349	5.4
649.22705	2.6
675.20459	5.2
693.21875	18.0
757.37061	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	757.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.32132	0.4
55.05506	1.1
57.03436	2.1
57.07070	3.1
59.04988	0.4
60.08160	1.4
61.02923	3.8
66.70374	0.4
67.05509	3.1
69.03427	2.7
69.07059	1.5
69.92591	0.4
70.38243	0.4
70.47421	0.4
71.05000	1.5
71.07375	1.2
71.08619	1.8
73.02919	3.7
79.05509	2.0
81.03417	3.5
81.07060	4.2
83.05000	0.7
83.08611	1.5
85.02914	5.2
85.10183	1.1
86.09714	8.4
87.10016	0.6
91.03954	3.7
91.05470	2.4
93.07042	1.5
95.04974	1.6
95.08609	2.4
97.02887	4.9
97.06529	0.7
98.20744	1.1
98.98460	0.8
99.04500	0.5
101.02396	2.3
103.03954	0.5
104.10745	0.5
105.07060	1.2
107.04951	0.7
107.08606	1.4
109.02921	0.7
109.10173	1.5
115.82758	0.4
119.08595	1.1
121.10170	1.3
124.99992	5.7
127.03945	1.2
131.08580	1.0
133.10175	1.0
135.11716	0.4
145.10207	0.5
147.11700	0.7
149.09654	1.3
157.10149	0.6
160.38866	0.3
163.11226	0.6
175.11253	0.9
179.89127	0.4
184.07339	28.0
185.07683	3.9
193.12286	0.9
203.05409	0.5
243.08476	2.6
255.33804	0.4
261.80328	0.5
267.15854	0.4
283.15146	3.9
313.27365	1.2
339.17804	0.7
379.10315	0.6
497.30896	6.1
501.23059	12.3
595.41992	0.7
757.46997	100.0
758.47260	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01861	4.1
55.05273	1.2
55.05515	14.3
57.03199	0.8
57.03446	9.4
57.07067	2.1
59.05011	1.1
60.08153	3.0
61.02913	2.3
65.03947	1.8
67.05508	43.6
69.03429	2.0
69.07072	15.2
71.01345	1.6
71.04980	3.2
71.07359	1.5
73.02911	1.4
79.05499	41.2
81.03418	7.5
81.07063	48.8
82.07375	0.7
83.04987	9.0
83.08621	8.2
85.02897	3.1
85.06532	1.9
86.09715	12.7
89.02348	0.7
91.03963	0.9
91.05486	18.6
93.07051	47.9
95.04964	7.3
95.08612	40.8
97.02917	4.2
97.06537	6.4
97.10172	2.9
98.98457	1.6
99.04456	2.3
99.08087	1.2
105.07037	11.3
107.04967	10.7
107.08602	26.7
109.06542	4.4
109.10170	12.5
111.04427	3.1
111.08112	1.6
111.11697	2.2
111.26163	0.8
113.09623	0.8
115.05492	1.0
117.07021	8.8
119.08591	14.9
121.06499	3.0
121.10154	33.4
123.08080	3.1
123.11701	4.0
125.00015	8.8
125.05966	2.3
125.09658	2.2
129.07051	2.0
130.07799	1.5
131.08578	10.6
131.47379	0.7
133.10144	6.9
135.08070	1.9
135.10701	1.7
135.11700	30.9
137.09599	1.2
137.13335	0.9
139.11185	6.9
143.08586	1.7
145.06499	1.5
145.10127	21.4
147.08086	2.1
147.11725	5.6
147.12738	1.2
149.09647	2.9
149.13240	3.6
153.12721	3.1
155.08583	2.8
159.11710	3.2
161.09578	1.0
161.13268	3.3
161.80296	0.7
163.11191	34.0
163.14835	1.5
164.67020	0.7
171.11765	0.9
173.09622	5.0
173.11922	0.8
173.13297	2.7
175.14867	1.3
181.12210	6.2
184.07350	45.1
185.07648	1.1
185.11710	1.4
187.14844	1.0
191.10744	4.9
209.11769	7.0
227.12781	33.1
243.21065	3.2
245.13878	12.5
259.20462	1.1
261.22189	9.5
265.14423	4.0
265.98981	0.7
283.15430	39.3
299.15005	0.8
301.16486	52.8
302.16919	1.2
317.24789	2.0
335.25821	100.0
336.26230	2.5
406.57776	0.8
451.32333	1.3
469.32983	1.7
487.33908	1.4
525.35608	2.4
543.36816	41.5
544.37335	1.5
561.37866	49.8
562.37878	2.2
579.38702	1.0
758.31940	1.7
758.45001	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	758.4686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.4
55.01881	10.7
55.05268	2.2
55.05514	27.1
55.72936	1.1
57.03440	17.5
57.07071	2.4
59.04998	2.0
60.08158	2.9
61.02927	6.4
62.74222	1.3
62.82981	1.3
63.65915	1.2
65.03934	3.1
67.05509	76.8
69.03420	2.9
69.07074	17.3
70.10986	2.2
70.11400	3.6
70.65272	1.2
71.01353	3.8
71.04985	4.2
73.02916	2.3
79.05498	62.1
81.03430	16.3
81.07060	72.2
82.07365	1.9
83.01329	2.1
83.04984	19.6
83.08623	13.6
85.02910	11.9
85.06538	3.9
86.09712	14.0
91.03956	4.0
91.05482	38.4
93.07050	69.0
94.69852	1.2
95.04984	12.7
95.08614	51.3
97.02897	9.8
97.06535	11.0
97.10199	7.7
98.98433	2.2
99.04456	4.3
99.08092	2.1
105.04549	2.3
105.07038	25.7
107.04965	11.8
107.08602	42.5
109.02925	2.6
109.06527	6.4
109.10162	28.8
111.04442	15.1
111.08079	5.6
111.11723	1.8
113.06018	2.1
115.05482	1.7
117.07030	17.4
119.08591	27.0
121.06511	5.7
121.10148	35.6
121.11026	1.7
123.04421	1.8
123.08060	5.8
123.11719	6.6
125.00005	8.9
125.05998	2.3
125.09646	3.9
129.07021	4.2
130.07793	1.6
131.04881	1.6
131.08583	20.2
133.10143	17.1
135.08078	4.5
135.11688	30.2
137.09602	4.4
137.13336	1.7
139.11134	2.2
143.08562	3.7
145.06456	2.7
145.10136	31.3
147.08081	6.0
147.11693	8.7
149.09595	5.7
149.13286	7.6
151.11157	2.5
153.12747	15.2
155.08540	4.6
157.10162	2.7
159.11743	7.1
161.09538	1.8
161.13272	4.3
163.11198	35.2
163.14824	3.8
165.09131	1.5
169.10052	1.5
171.11732	3.7
173.09612	8.2
173.13304	6.8
175.14871	2.5
177.12672	1.3
181.12263	10.6
183.11674	1.3
184.07359	45.1
185.07822	1.5
185.13239	2.2
187.14848	3.4
191.10684	13.0
209.09782	1.9
209.11742	33.0
227.12798	22.2
229.14330	1.3
243.21054	6.4
259.20529	2.2
261.22153	15.1
265.14362	3.4
267.16000	1.6
283.15427	42.4
291.22916	1.4
299.14896	3.6
299.23764	2.2
300.15326	2.2
301.16470	76.3
301.21628	2.3
304.39066	1.3
315.22916	1.7
317.24805	2.1
333.24210	2.0
335.25824	100.0
336.26108	4.3
343.23151	1.6
423.32166	1.4
427.38330	1.3
433.30835	3.3
437.46417	1.5
451.32068	8.2
469.33218	9.2
525.35797	12.4
543.36859	76.1
544.36700	1.9
550.48126	1.4
561.37866	62.4
562.38220	2.6
566.50323	1.3
579.38892	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	758.4689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01875	6.4
55.05513	15.6
57.03444	12.8
57.07043	1.9
59.04964	2.2
59.25374	0.7
60.08150	0.9
61.02923	3.2
65.03908	2.2
67.05511	55.4
69.03399	2.3
69.03748	0.7
69.07072	16.8
69.28966	2.0
69.29388	4.0
71.01323	2.5
71.05002	4.1
73.02900	1.0
73.07017	0.6
77.03915	1.1
79.05499	45.4
81.02927	0.8
81.03420	14.6
81.07062	52.7
83.01306	2.4
83.04990	11.8
83.08615	9.7
85.02912	8.0
85.06521	2.4
86.09704	4.1
91.03941	1.2
91.05483	23.1
93.07050	53.0
95.04969	6.9
95.08612	40.9
96.08913	0.8
97.02912	8.1
97.06522	7.2
97.10199	3.6
99.04420	1.2
99.08069	2.1
101.96205	0.7
103.05433	1.2
105.04488	0.8
105.07038	18.3
107.04963	10.4
107.08604	30.9
109.02870	1.0
109.06519	4.3
109.09484	1.2
109.10167	16.7
111.04452	10.1
111.08082	4.3
111.11702	1.7
113.09672	0.8
117.07015	10.0
119.08594	19.2
121.06459	2.5
121.10153	32.9
123.08096	4.6
123.11700	4.3
124.99962	2.6
125.05981	2.1
125.09592	2.8
129.06938	3.2
130.07706	0.9
131.04926	0.9
131.08569	12.5
133.10141	10.0
135.08057	2.0
135.11699	23.8
137.09599	2.6
137.13235	1.2
139.07506	1.2
139.11189	4.0
143.08534	2.7
145.06445	0.9
145.10132	21.8
147.08058	2.9
147.11702	5.5
149.09639	3.2
149.13277	5.6
153.12746	13.2
155.08545	2.0
157.10152	1.4
159.11697	4.6
161.09619	0.9
161.13313	4.7
163.09871	1.4
163.11192	26.1
163.12561	1.4
163.14803	2.3
167.10674	0.8
171.11600	0.8
173.09657	6.3
173.11938	0.7
173.13222	3.7
175.14848	1.8
177.16394	1.2
181.10574	1.0
181.12233	11.9
184.07364	13.3
185.11690	1.9
185.13222	1.5
187.14822	1.6
189.11214	1.4
191.10692	8.5
193.12177	1.0
209.11740	20.5
227.12781	17.3
243.21078	3.7
245.13863	8.5
259.20642	1.0
261.22168	14.2
261.24844	1.2
265.14380	4.6
267.15909	1.8
283.15424	29.6
284.15747	0.8
297.22101	0.9
299.15051	0.8
299.23630	1.8
301.16473	73.9
302.16861	1.7
317.24734	2.6
333.24222	0.9
335.25824	100.0
336.26181	2.9
415.30280	0.7
428.22400	0.7
433.31204	2.1
451.32138	3.1
469.33417	3.5
487.34290	1.1
515.36462	1.1
525.35840	8.4
543.36829	46.0
544.37262	1.4
561.37891	89.2
562.38190	2.8
579.38892	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	758.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.9
55.01875	1.3
55.05511	16.8
55.54741	0.7
57.03446	7.4
57.07070	2.0
58.60469	0.7
59.04996	1.4
60.08155	1.7
61.02909	3.2
65.03932	2.7
67.05505	67.2
69.03416	2.4
69.06728	1.1
69.07068	13.3
69.18485	6.1
71.04604	1.4
71.04993	21.4
71.07360	0.8
73.02921	1.0
73.06530	1.2
76.95150	0.8
77.03941	1.0
79.05492	38.0
81.03401	1.4
81.07056	93.0
82.07373	1.3
83.04973	3.6
83.08617	7.8
85.02912	4.0
85.06544	8.7
86.09711	7.4
87.55822	0.7
91.05482	26.9
93.07043	40.6
95.04964	3.1
95.08607	29.6
97.02883	2.1
97.06530	5.8
97.10166	1.9
99.08084	2.0
105.07033	18.9
107.04987	0.7
107.08592	22.8
109.06513	2.1
109.10156	13.6
111.08067	2.5
117.07017	5.8
119.08586	8.0
121.10139	15.8
123.08064	1.2
123.11704	15.1
124.99992	6.1
125.09647	1.0
129.07076	0.9
131.08571	8.3
133.10135	20.4
135.11687	9.9
143.08566	1.5
145.10165	5.1
147.11710	3.8
149.13258	7.4
151.11186	8.5
153.12721	1.4
159.11696	8.4
161.13260	2.8
163.14861	1.2
169.12265	1.8
171.11731	0.8
171.77835	0.8
173.13266	3.2
175.14746	0.9
177.12740	1.9
179.14262	0.8
183.13928	2.4
184.07339	30.5
185.07684	1.4
185.13300	1.1
187.13312	4.3
187.14864	1.6
195.13838	1.5
201.14754	1.1
227.16470	3.1
253.17986	1.5
257.17542	2.1
259.20834	1.2
261.22385	3.6
269.17499	5.7
301.20065	20.3
317.24878	0.8
331.20160	0.9
335.25790	24.2
335.29880	1.2
336.26349	0.8
352.43271	0.8
393.31763	1.0
411.32397	1.8
437.34067	1.6
449.33746	1.0
485.35995	4.6
503.37305	95.5
504.37686	4.2
511.37592	0.9
517.39050	3.4
529.38831	21.4
530.38678	1.3
561.41510	100.0
562.42004	5.4
758.56366	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.1
56.05037	0.6
57.07069	0.2
58.06621	0.5
59.07394	0.2
60.08165	6.7
66.89990	0.1
67.00858	0.1
67.05488	0.3
69.07058	0.1
69.30991	0.7
70.06593	0.1
71.07376	3.5
79.05475	0.2
81.07053	0.3
83.08627	0.1
85.10136	0.1
86.09708	32.0
87.10029	0.3
91.05452	0.1
93.07025	0.1
95.08617	0.2
98.20699	0.2
98.21376	0.3
98.97803	0.1
98.98466	3.6
104.10741	2.3
125.00007	21.8
126.69898	0.1
131.08511	0.1
143.01060	0.2
166.02660	0.2
182.48134	0.1
184.07343	100.0
185.07678	0.8
186.07884	0.1
308.29544	0.2
496.33789	0.2
502.32239	0.1
503.11185	0.1
583.53485	0.1
758.56854	4.2
759.56787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.8
56.59883	0.8
58.56513	0.7
59.75661	0.9
60.35565	0.6
60.55675	0.7
69.38342	6.0
79.05470	2.2
93.07010	1.2
94.06564	2.9
103.05455	2.2
108.08092	4.3
120.08109	11.0
122.06036	17.5
122.09669	2.1
124.71126	0.8
131.76917	0.8
136.07573	11.4
138.09146	0.9
148.07581	27.1
150.09140	3.0
152.46510	0.8
166.08626	3.0
184.07237	1.2
208.09738	1.0
209.10762	2.0
223.12431	1.1
225.10201	1.9
235.08679	2.8
236.09395	4.3
237.10249	17.4
241.09732	1.3
248.09854	0.9
249.10211	11.2
250.11075	1.9
251.08069	1.4
251.11879	4.4
252.08875	1.0
253.09830	2.5
255.11290	1.5
261.10226	2.3
263.08173	1.0
264.08932	9.1
265.09802	8.9
266.10364	1.5
267.11319	3.8
269.09143	1.3
277.09750	11.7
278.10580	4.9
279.08234	1.5
279.11298	12.1
280.12073	1.1
281.09320	3.7
281.12430	0.8
283.10800	1.7
289.09726	1.4
291.07800	1.4
291.11115	1.7
292.08429	1.7
293.09283	37.5
293.12793	6.0
294.09930	1.1
295.10760	3.3
305.09213	8.2
306.10077	1.2
307.10770	11.6
309.08679	3.3
309.12448	3.1
311.10275	2.5
311.14075	1.4
312.10837	1.3
313.11929	2.4
319.10754	1.5
323.10245	6.4
325.11859	3.6
327.13599	1.0
333.08826	5.7
335.10229	1.2
337.11728	3.5
338.12982	0.9
339.13525	7.6
340.14505	1.6
342.12207	1.4
342.16010	1.1
351.09790	19.9
353.11368	2.5
353.14929	2.4
354.12344	1.7
355.13031	1.9
356.13800	2.5
357.14536	1.2
358.15604	1.2
365.11258	4.1
366.12149	5.7
367.13013	3.0
370.11447	1.4
370.15628	1.3
371.12073	3.9
382.11743	1.7
383.12415	6.2
385.13934	5.4
386.14819	1.4
396.13077	1.0
397.14063	5.3
398.14645	2.2
400.16360	1.2
410.14877	1.7
412.16776	1.8
428.15991	5.8
430.18011	1.0
438.14413	2.3
452.16110	1.2
456.15509	3.4
458.16849	3.0
460.18512	2.4
476.17999	1.4
479.21509	0.9
486.16544	3.2
488.18088	9.6
490.19611	1.3
518.19104	1.2
520.20758	4.2
532.19800	0.8
534.22217	1.0
551.22638	2.4
560.20282	1.2
561.20477	2.0
564.19623	3.0
591.22235	3.5
592.22772	12.4
593.23645	11.3
604.18970	2.5
605.20026	5.7
606.20831	2.4
622.19702	2.3
623.24890	4.6
636.21844	41.3
637.22681	100.0
638.23114	4.6
683.26685	6.3
695.23792	3.9
727.26276	10.7
728.25275	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
54.98418	0.4
55.05490	0.4
61.02898	0.5
65.03934	0.7
67.05493	0.9
70.06595	0.5
70.63428	1.3
79.05490	1.7
81.03423	1.3
81.07069	0.9
89.23101	0.4
91.05474	1.4
91.85422	0.4
93.07045	1.8
94.06568	1.6
97.02880	0.6
97.06589	0.5
103.05473	0.5
105.07027	0.8
107.08620	0.5
108.08137	2.7
109.02857	0.4
109.10191	0.6
117.07056	0.5
118.06583	0.6
119.04932	0.4
119.08637	0.4
120.04443	1.3
120.08109	8.1
121.06439	0.4
122.06029	4.4
122.09681	1.2
123.04501	0.5
132.08119	0.5
136.07576	5.7
138.05534	0.4
138.09164	0.7
146.06036	2.0
147.04456	1.5
148.07582	17.4
150.09132	2.1
152.07097	1.0
156.08173	0.5
163.03969	0.8
164.07086	1.8
166.08670	1.4
172.03940	0.8
180.10231	1.2
184.10039	0.5
190.05020	1.4
204.06496	1.1
209.10802	0.5
211.08667	0.6
211.12476	0.4
213.10147	0.5
223.08736	0.9
223.12372	1.2
224.09491	0.6
225.10185	2.9
226.11003	0.8
227.11864	1.7
235.08701	1.4
236.09409	0.7
237.10225	4.4
238.11099	1.2
239.08218	0.7
239.11778	2.3
241.09735	0.8
248.09564	0.9
249.10188	3.7
250.11111	1.3
251.08183	1.7
251.11787	5.1
252.08838	1.7
252.12605	1.1
253.09734	3.6
255.11333	2.6
258.07477	0.6
258.10162	0.5
261.10153	2.4
262.11136	1.2
263.07965	0.6
263.11746	5.1
264.08911	0.6
265.09711	5.9
265.12552	0.5
265.13834	0.7
266.10501	1.2
267.11301	5.0
268.11993	0.6
269.12827	1.8
271.10846	1.5
276.09030	0.8
277.09738	2.1
278.07114	0.7
278.10565	2.8
279.07809	2.2
279.11371	8.0
280.12079	1.8
281.09302	1.8
281.12955	1.9
282.09918	0.5
283.10803	5.4
283.13812	0.7
284.18839	0.5
285.12488	1.2
285.55045	0.4
289.09695	6.2
290.10333	0.6
291.11258	4.3
293.09219	1.8
293.12912	2.5
294.09998	2.8
295.10818	3.6
296.11554	1.8
297.08865	0.5
297.12390	1.5
299.10242	1.0
300.11224	0.9
305.08987	0.5
305.13025	0.5
306.09940	1.1
307.10782	2.4
308.11530	1.1
309.09280	0.5
309.12225	2.7
310.13144	0.8
311.10321	5.3
311.14014	2.4
312.11075	2.0
312.14386	0.5
313.12021	1.2
315.13651	0.9
317.09390	0.8
321.12527	0.5
323.10239	1.6
323.14008	2.2
324.11005	2.1
325.11935	1.7
326.12668	3.4
327.13504	4.0
329.15149	0.7
333.12408	0.5
335.10272	9.6
336.10922	0.6
337.12183	0.7
339.09827	1.5
339.13394	29.1
340.10547	2.4
340.14139	1.0
341.11356	0.6
342.12408	0.9
342.16064	0.6
343.13040	0.7
349.11771	1.0
351.13693	0.8
352.10519	0.6
354.12201	5.9
355.12863	8.1
355.16772	0.8
356.13696	0.8
367.12906	19.7
368.13605	0.7
370.15509	0.7
381.14331	0.6
383.16599	0.7
385.14093	0.9
398.14999	0.9
399.15573	1.1
400.17029	0.6
411.12030	0.8
413.17078	0.5
414.18539	0.7
416.15851	0.9
428.15720	0.6
442.17664	1.8
458.16577	1.0
462.20081	0.6
470.17255	1.2
474.20340	1.8
486.20526	0.9
502.19812	1.6
520.21014	1.8
521.21777	0.9
530.19000	2.5
534.22284	1.8
562.21930	7.3
566.21301	0.6
574.18304	7.7
578.21454	1.7
594.24438	0.9
606.20850	100.0
607.21259	4.6
611.25092	0.6
624.21985	1.1
626.70654	0.5
638.23468	9.1
639.24561	0.8
653.26123	0.8
697.24713	3.7
730.41437	0.5
761.35614	5.4
783.48505	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
55.01884	0.6
55.05511	1.1
57.03442	1.0
58.68856	0.4
59.04999	1.0
61.02939	3.8
64.46898	0.4
65.82174	0.4
67.05501	2.3
69.03451	2.5
69.07066	0.7
69.79776	1.8
71.01402	0.4
71.04998	1.6
73.02941	2.2
79.05503	2.8
81.03423	4.5
81.07067	3.2
83.04987	1.0
83.08620	0.9
85.02908	4.6
85.06548	1.0
91.03965	1.8
91.05486	3.8
93.07057	2.1
95.04987	1.9
95.08651	1.1
97.02904	3.0
97.06538	1.6
99.04488	0.5
101.02399	1.9
103.03972	0.8
105.07048	2.7
107.08615	1.8
109.02896	0.6
109.06550	0.7
109.10146	0.5
111.04464	0.5
111.08086	0.6
114.74898	0.4
119.08589	2.1
121.10187	2.4
127.03938	1.6
129.05487	0.5
129.07039	0.9
131.08566	2.1
133.10144	1.6
136.07655	0.5
147.04428	1.0
147.11751	2.0
148.07576	0.6
149.09650	2.8
157.10167	1.6
175.11249	1.3
184.07350	0.6
193.12242	2.4
197.15425	0.5
203.05179	0.5
211.13571	0.5
225.14925	1.0
233.11865	0.5
243.08487	2.1
267.16028	1.5
283.15192	7.9
293.12601	0.5
294.09555	0.6
318.79620	0.5
339.18042	1.7
441.21393	0.7
469.20502	1.3
501.23120	29.0
502.23224	0.6
594.23999	0.5
599.34247	0.7
605.21216	0.5
638.22748	1.2
639.23486	1.9
705.59631	0.5
748.78729	0.5
761.39362	100.0
762.39594	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	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.3
56.05036	0.7
57.03440	0.3
57.07071	0.1
58.06635	0.5
59.07380	0.1
60.08168	5.8
67.05514	0.6
69.07070	0.3
70.06593	0.2
71.01689	0.1
71.07381	3.1
71.53348	0.1
71.53843	0.1
73.02949	0.1
79.05501	0.3
81.03426	0.6
81.07068	0.5
83.08620	0.2
85.02898	0.1
86.09712	28.1
87.10032	0.2
91.05462	0.3
93.07041	0.4
95.04982	0.1
95.08614	0.3
96.87980	0.1
98.98470	3.2
104.10753	2.0
105.07048	0.2
107.08621	0.1
109.10125	0.2
119.08588	0.3
125.00011	19.1
129.07007	0.1
131.08542	0.1
139.37793	0.1
143.01089	0.2
143.66930	0.1
166.02617	0.2
184.07353	100.0
185.07660	0.4
204.24100	0.1
267.15918	0.5
267.73779	0.1
337.27307	0.5
450.22159	0.3
489.35287	0.1
529.39056	0.5
547.39941	0.3
672.41260	0.2
712.45526	9.3
713.45416	0.5
762.40881	1.1
763.41718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
56.05040	0.7
57.03432	0.2
57.07061	0.1
58.06630	0.4
59.07402	0.2
60.08165	6.2
67.05505	0.9
69.07076	0.3
70.06603	0.1
70.97444	0.2
71.07375	3.1
79.05505	0.6
81.03419	1.1
81.07056	1.0
83.08616	0.3
86.09706	28.9
87.10033	0.2
91.05486	0.5
93.07048	0.5
95.04980	0.3
95.08616	0.7
98.98470	2.7
104.10748	2.3
105.07042	0.3
107.04942	0.1
107.08613	0.3
109.10143	0.3
111.08076	0.2
116.87366	0.1
119.08569	0.2
121.10142	0.2
125.00007	19.5
129.06984	0.2
129.25333	0.1
131.08588	0.2
140.66026	0.1
143.01067	0.2
145.10190	0.2
147.11638	0.1
157.10162	0.1
166.02611	0.1
175.11160	0.1
184.07341	100.0
185.07726	0.6
193.12184	0.2
202.88031	0.1
263.00415	0.1
267.15906	1.3
274.14081	0.1
311.94598	0.1
337.27383	1.1
520.34222	0.2
529.38940	1.0
547.39819	0.8
617.40564	0.1
712.45453	10.4
713.45410	0.5
762.39880	0.2
763.41333	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	763.4605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.3
55.05507	1.7
56.45024	0.7
57.03436	3.0
57.07077	0.9
61.02933	6.3
61.75020	0.7
67.05524	6.0
67.30511	0.8
69.03423	3.8
69.07080	1.5
71.04993	2.6
73.02916	4.0
79.05502	3.2
81.03415	2.8
81.07052	6.7
83.04980	1.2
83.08620	1.8
85.02894	4.9
86.09689	0.8
91.03970	3.3
91.05486	3.3
93.07062	3.6
95.08630	3.0
97.02915	4.0
98.20704	1.8
99.04452	1.0
101.02341	0.9
105.07059	1.8
107.08604	2.4
109.10175	2.3
121.10133	1.3
123.11771	0.9
127.03970	1.6
131.08583	0.9
133.10126	1.9
135.11711	0.8
146.97829	0.7
149.13283	1.8
159.11717	0.9
166.02766	0.8
175.81624	0.7
184.07437	2.2
192.42006	0.8
199.46605	0.8
203.05521	0.7
229.11275	0.9
243.08548	2.2
267.15768	1.4
363.82208	0.8
485.23660	4.5
505.14944	0.8
519.29303	5.9
609.45868	0.8
653.93225	0.9
717.41345	1.0
724.72424	0.9
763.46069	100.0
764.47321	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	764.5076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.05039	0.6
57.03422	0.3
57.07053	0.3
60.08164	5.9
60.08474	0.3
67.05511	0.5
68.84127	0.2
69.07063	0.9
69.15012	1.9
71.04983	0.3
71.07374	3.3
74.75562	0.3
79.05487	0.7
81.03424	1.7
81.07056	1.0
83.08611	0.7
85.49547	0.2
86.09711	28.3
87.04464	0.3
91.05502	0.3
93.07056	0.6
95.04977	0.5
95.08616	0.8
97.10178	0.3
98.21514	0.6
98.98470	3.0
104.10732	1.8
105.07043	0.3
106.20998	0.2
106.98534	0.2
107.08614	0.5
121.10139	0.3
123.79976	0.2
125.00010	19.3
173.35500	0.2
184.07350	100.0
185.07697	0.8
189.37695	0.2
193.12245	0.3
203.85884	0.2
213.46648	0.2
267.15903	2.1
276.99100	0.2
285.51984	0.2
318.06198	0.2
339.29028	1.6
450.22534	0.4
507.39948	0.4
516.47992	0.2
531.40613	1.6
714.46967	10.0
715.45844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.8
55.05513	23.4
57.03441	9.9
57.07082	2.7
65.03939	4.1
67.05506	66.8
69.03419	3.9
69.07074	25.3
71.04985	4.1
71.52432	1.5
77.03925	3.1
79.05496	77.4
80.64989	1.5
81.03425	14.0
81.07057	74.3
83.04985	15.9
83.08623	13.8
85.02914	3.8
85.06539	2.3
86.09724	3.0
91.05487	71.0
93.07047	82.6
94.76228	1.6
95.04974	19.5
95.08613	35.4
97.02882	5.5
97.06531	15.8
97.10166	4.6
98.21597	3.4
103.05486	1.6
105.04536	2.8
105.06302	2.5
105.07032	51.9
107.04947	11.7
107.08591	30.7
109.02878	2.9
109.05865	1.6
109.06500	8.8
109.10144	8.7
111.04443	2.5
111.08075	3.6
115.05457	2.1
115.90483	1.7
117.07015	19.0
119.08588	33.8
121.06494	5.6
121.10141	14.0
123.08085	5.7
125.09647	4.1
127.07632	1.8
128.06247	3.6
129.07025	17.4
131.08563	14.5
133.06432	2.0
133.10133	19.1
135.08040	4.0
135.11710	12.4
137.09610	1.5
139.11250	1.9
140.25452	1.3
143.08531	9.7
145.06502	2.0
145.10143	18.8
147.08047	3.2
147.11697	36.8
149.09642	12.5
149.13275	5.7
151.11154	2.2
155.08575	2.6
159.11664	10.0
161.09636	4.9
161.13258	12.6
163.11180	9.2
169.10207	2.8
171.11708	21.8
173.04510	2.3
173.13242	3.6
177.12820	3.2
179.14316	4.5
183.11739	2.8
184.07375	5.7
187.11050	2.0
189.11253	2.3
189.12737	10.4
195.13831	2.7
207.13820	24.0
225.14807	1.9
227.12758	7.8
229.19528	2.7
239.17987	3.7
247.20461	1.6
253.14236	2.6
255.15872	8.0
257.19003	8.8
263.16467	1.8
267.15863	2.3
269.17432	11.1
275.17352	1.2
275.20081	31.4
279.15921	2.4
281.17477	67.2
283.15399	3.0
293.21219	3.7
331.22632	2.9
349.23727	19.0
367.25177	2.5
435.27335	3.6
451.26862	2.9
457.29742	1.9
461.29034	26.2
475.30573	100.0
506.32434	1.6
515.33771	2.4
518.89032	1.6
537.35590	3.2
555.36859	49.1
573.38251	7.5
619.34485	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	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77457	2.2
55.01861	9.3
55.05508	26.2
55.84462	2.2
56.28288	2.2
56.69735	2.3
57.03437	11.3
57.07079	2.5
65.03922	5.6
67.05511	79.6
69.03430	5.5
69.07068	23.3
71.04990	5.5
71.52865	2.3
71.53246	3.8
79.05498	81.8
81.03421	13.9
81.07064	72.2
83.04992	18.0
83.08613	16.8
85.02879	3.5
85.06519	3.0
86.09683	4.8
91.05486	74.8
93.07051	86.4
95.04982	17.7
95.08611	38.5
97.02908	3.9
97.06533	16.1
97.10167	11.2
105.04504	3.5
105.07043	57.4
107.04971	14.0
107.08606	41.6
109.06515	7.4
109.07259	2.4
109.10141	14.5
111.08058	4.3
117.07049	19.7
119.08586	35.0
121.06506	7.6
121.10167	16.2
123.08068	8.0
123.11665	2.9
124.99972	3.6
125.09628	3.8
128.06171	3.7
129.07037	14.0
129.08981	2.8
131.08606	14.6
133.06468	2.7
133.10132	23.4
135.08067	4.3
135.11691	10.6
143.08568	9.2
145.10141	22.9
147.08035	3.4
147.11693	34.6
149.09639	11.9
149.13242	8.9
159.11661	10.3
161.09615	4.5
161.13261	11.1
163.11200	9.7
169.10121	3.4
171.11696	22.0
177.12712	2.5
179.14352	3.0
184.07365	9.2
189.11266	2.5
189.12758	9.6
195.13780	3.8
197.13278	2.3
207.13783	21.6
227.12833	6.0
239.17952	3.4
253.14679	2.7
255.15916	8.9
257.19019	9.2
269.17511	13.7
275.20078	23.2
281.17499	60.5
330.55438	2.5
349.23676	18.1
367.24796	2.7
435.27466	2.9
461.29080	29.2
475.30557	100.0
484.95502	2.7
555.36847	41.3
573.37378	8.4
619.34521	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01803	1.7
55.05443	8.5
55.05737	1.1
57.03366	3.5
57.03672	0.8
57.07005	1.5
59.04931	0.5
61.02851	11.3
61.03199	1.3
65.03872	1.1
67.05423	17.3
69.03349	6.8
69.06986	7.6
71.01276	1.0
71.04910	1.2
71.05253	0.4
73.02834	7.1
73.03270	0.5
79.05406	11.6
81.03328	3.1
81.06970	16.2
81.07488	1.1
83.04885	1.3
83.08533	4.7
85.02815	9.9
85.03371	0.7
85.06461	1.0
87.04417	0.7
91.03957	6.6
91.05476	11.0
93.07043	13.5
93.07580	0.6
95.04895	1.2
95.08605	14.5
95.09166	0.9
97.02891	9.1
97.03448	0.6
97.06426	1.4
97.10155	2.6
99.04357	1.2
99.08015	0.7
101.02377	1.6
101.02845	0.3
103.03854	0.5
103.05367	0.6
105.04414	0.5
105.07026	11.1
107.04873	0.8
107.05540	0.3
107.08583	8.9
109.02792	1.0
109.06441	0.8
109.10162	6.9
111.08002	0.7
115.03841	0.5
115.05345	1.1
117.07019	6.4
119.08580	12.1
119.09374	0.4
121.10146	6.0
123.07949	1.0
123.11700	1.7
125.09562	0.8
126.48638	0.3
127.03918	2.5
128.06221	1.7
129.06999	7.3
130.07686	0.8
131.08557	10.0
133.10124	7.2
133.13921	0.4
135.07982	0.5
135.11694	4.1
137.09525	0.7
137.13120	1.0
141.06995	4.0
142.07756	1.7
143.08551	11.1
144.09222	0.5
145.04903	0.5
145.10129	10.1
147.07915	0.3
147.11682	5.0
149.13271	1.8
149.74510	0.3
153.06870	1.1
154.07642	1.2
155.08546	8.9
156.09192	1.2
157.10120	10.4
159.11690	6.7
160.12331	0.4
161.13239	2.9
163.11108	0.5
163.14752	0.6
164.06064	0.4
165.06946	0.8
165.12737	0.5
166.07730	0.4
167.08565	4.4
168.09247	1.2
169.10124	10.5
170.10777	0.5
171.11671	9.0
173.09558	0.3
173.13252	5.5
175.11121	0.5
175.14763	1.4
179.08530	1.8
180.09212	0.5
181.08774	0.3
181.10115	5.2
182.10779	1.0
183.11690	10.4
184.07201	0.7
184.12347	0.6
185.13260	6.4
187.11098	0.5
187.14854	2.6
189.16296	1.1
192.09232	0.4
193.10133	2.1
194.10771	0.7
195.09950	0.5
195.11673	6.9
196.12315	0.7
197.13248	8.0
198.13933	0.4
199.11238	0.4
199.13264	0.6
199.14806	5.0
201.12737	0.5
201.16277	1.5
203.17833	0.6
205.09995	1.0
206.10799	0.5
207.11703	1.8
208.12413	0.7
209.11554	0.4
209.13272	6.3
210.13953	0.6
211.13130	0.5
211.14833	5.4
213.14641	0.4
213.16429	2.9
215.17896	0.7
219.11505	1.0
221.13243	2.6
223.14778	4.3
225.16356	3.7
227.18132	2.2
229.15924	0.5
229.19409	0.6
233.13141	1.1
235.14868	2.2
237.16393	3.2
239.18047	2.0
241.19473	1.4
245.13130	0.6
245.19107	0.4
247.14696	1.1
249.16470	1.6
251.17850	1.5
253.19583	0.8
255.19386	0.5
261.16187	0.8
263.17792	0.8
265.19357	1.2
271.20514	0.5
275.20065	0.4
277.19272	0.6
279.21011	0.7
281.22577	0.8
283.20367	0.8
283.24570	0.4
285.22073	0.8
293.22543	0.6
295.20499	0.7
299.23468	0.4
305.22565	0.4
307.20383	0.5
307.24020	0.4
309.22086	0.8
311.20084	0.4
311.23557	0.7
313.21646	0.4
313.24966	0.5
321.22070	1.1
323.23642	1.2
325.25146	0.8
335.23492	0.5
337.25180	1.3
339.23102	0.7
339.26797	0.7
341.24808	0.5
349.25183	0.6
351.22968	0.5
351.26797	1.4
353.24677	0.6
355.26202	0.7
363.26694	0.9
365.28250	0.7
375.26736	0.4
377.28101	0.5
379.29745	0.8
381.28091	0.5
391.30203	0.8
393.27393	0.5
403.29633	0.5
405.31784	0.8
407.29242	0.7
409.31177	0.5
411.28769	0.5
421.30792	0.4
435.32391	0.6
445.30338	0.4
447.32419	1.3
449.33847	0.5
465.33789	0.5
467.35950	0.4
473.33145	0.6
475.34247	0.5
487.34256	0.7
499.39911	0.6
501.35742	1.2
501.43466	0.4
513.35596	0.8
515.38184	0.5
517.40442	5.7
518.40369	0.4
521.36200	1.0
525.35492	0.5
527.37457	0.9
535.41522	2.4
539.37408	2.6
541.39093	1.1
553.39240	0.8
555.42517	0.5
567.40704	0.6
573.42682	0.8
591.44159	7.1
607.43304	2.2
609.45105	100.0
610.45581	4.6
611.46808	1.4
621.45367	0.8
633.45874	0.9
651.46368	0.7
675.45721	0.7
699.45752	0.6
717.47430	1.0
720.97888	0.4
735.48486	1.1
753.49573	2.5
771.50385	22.1
772.50940	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.1
56.05030	0.9
58.06631	0.5
60.08166	6.1
67.05515	0.1
69.07085	0.1
69.75806	0.3
70.06591	0.1
71.06983	0.2
71.07376	3.3
79.05476	0.2
81.07057	0.2
85.14797	0.1
86.09709	30.5
87.10052	0.2
91.05489	0.1
92.22998	0.1
93.07010	0.1
95.08614	0.2
98.98466	3.0
104.10745	2.1
105.07063	0.1
125.00008	20.5
143.01154	0.1
144.13252	0.1
163.68839	0.1
184.07346	100.0
185.07655	0.6
228.00697	0.1
237.95705	0.1
238.17738	0.1
306.27921	0.1
313.27722	0.1
646.49194	0.1
754.53778	6.8
755.53351	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05036	0.7
57.03427	0.1
57.07080	0.2
58.06639	0.4
59.07399	0.2
60.08165	5.7
67.05502	0.4
69.07059	0.2
69.54264	0.1
70.06591	0.1
71.07375	3.4
71.08631	0.2
76.57245	0.1
79.05523	0.2
81.07056	0.4
83.08617	0.1
86.09708	30.1
87.10044	0.3
89.04671	0.1
91.05476	0.2
93.07060	0.2
95.08614	0.3
97.10149	0.1
98.06086	0.1
98.98466	2.8
104.10753	2.2
105.07032	0.1
107.08549	0.1
109.10195	0.1
119.08575	0.2
125.00008	20.3
126.00364	0.1
143.01114	0.1
166.02652	0.2
184.07344	100.0
185.07713	1.2
186.07809	0.3
306.27884	0.3
308.29367	0.4
322.27478	0.1
337.27045	0.1
496.33707	0.1
601.43823	0.1
754.53778	5.6
755.53064	0.3
772.54443	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
56.05036	0.9
58.06626	0.4
59.07399	0.1
60.08167	5.9
67.05493	0.3
70.06611	0.1
70.76039	0.2
70.76410	0.2
71.07376	3.7
71.08613	0.2
78.74649	0.1
81.07076	0.2
86.09709	32.3
87.10035	0.2
93.07033	0.2
94.89718	0.1
95.08633	0.2
98.98469	3.4
104.10059	0.2
104.10746	3.0
121.10145	0.2
125.00009	21.8
126.00282	0.1
143.01048	0.1
156.84923	0.1
166.02681	0.1
184.07347	100.0
185.07777	0.5
195.81679	0.1
226.89009	0.1
317.01050	0.1
355.30154	0.1
496.33945	0.3
503.31250	0.1
543.30341	0.1
709.86261	0.1
754.53632	0.2
772.54871	9.6
773.55151	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71520	2.4
55.01881	5.3
55.05512	30.3
57.03436	16.2
57.07071	6.8
60.08161	3.4
60.38378	1.8
61.02932	16.0
62.97798	2.0
65.03934	7.0
67.05508	97.3
69.03423	9.4
69.07075	32.1
69.15730	5.3
69.16144	18.5
70.29611	1.8
70.86510	1.6
71.04983	5.3
71.07366	2.4
73.02913	6.9
74.28446	2.4
79.05499	76.9
81.03407	7.9
81.07060	93.2
83.04951	5.9
83.08636	12.5
85.02899	11.6
85.06535	3.5
86.09716	13.0
87.10016	2.9
91.03955	6.3
91.05483	66.7
93.07047	93.4
95.04980	10.4
95.08612	66.0
95.09131	1.3
95.09242	2.3
96.08991	2.1
97.02922	10.4
97.06545	5.2
97.10153	5.5
99.08073	4.1
101.02378	3.0
105.04501	2.8
105.07034	74.5
107.05030	2.5
107.08605	48.6
109.06527	5.8
109.10162	29.8
111.04463	2.4
111.08077	2.8
111.11700	1.9
115.05472	2.9
117.07026	28.9
119.06190	1.9
119.08591	60.5
121.06507	2.5
121.10148	41.1
123.08057	5.3
123.11685	7.4
125.00026	9.7
125.01333	1.9
127.03934	4.8
128.06184	4.7
129.06990	17.5
131.08580	41.4
133.06485	2.2
133.10129	45.1
135.08110	3.0
135.11705	31.2
137.09613	6.0
141.06978	6.2
143.08556	19.8
145.05142	2.6
145.06435	2.5
145.10124	35.4
147.08047	4.2
147.11693	39.6
149.09639	3.5
149.13290	16.2
151.11172	2.3
155.08577	7.8
157.10123	16.1
159.08057	2.5
159.11700	26.8
160.91266	2.2
161.13280	27.7
163.14848	7.4
167.08568	2.8
169.10112	8.3
171.11728	16.9
173.13268	20.8
175.11215	3.5
175.14841	17.0
177.16344	2.9
180.09225	2.1
181.10150	5.0
182.10371	2.1
183.11736	5.9
184.07344	40.2
185.07799	4.3
185.09616	3.3
185.13260	12.5
187.14786	7.1
189.12704	4.2
195.11731	4.0
197.13297	8.3
199.14851	8.8
201.16469	3.1
203.14412	2.9
211.14799	3.8
213.16389	6.7
215.17831	2.3
223.14848	4.2
225.16313	2.4
229.19450	2.9
231.20943	4.3
234.12914	2.5
237.16434	3.1
239.17961	4.6
241.19568	20.7
243.21164	2.3
257.19058	9.4
259.20578	50.6
261.22107	8.8
271.20590	4.3
277.21704	3.9
283.20621	2.8
301.21573	3.0
313.21719	2.3
315.23163	4.2
326.56436	2.4
333.24240	34.1
334.24896	2.1
335.25812	88.2
337.27524	4.3
339.23245	3.0
367.22720	6.0
385.23575	5.2
432.84058	2.6
441.26205	3.1
519.42120	6.1
537.42969	2.5
593.45642	7.0
609.44867	4.3
611.46722	100.0
612.46802	3.5
623.46967	4.8
635.46777	3.6
677.48053	3.2
683.42523	3.4
701.46997	5.2
719.49530	4.8
737.49585	5.9
755.50861	3.6
773.53497	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.2
55.05273	2.0
55.05516	31.6
55.17643	1.4
57.03443	15.6
57.07067	5.7
57.79718	1.3
61.02929	14.7
65.03951	3.8
66.40518	1.4
67.05509	89.0
69.03438	9.9
69.07075	28.2
71.04986	6.0
71.08618	1.4
71.73164	1.4
73.02921	8.6
77.03954	2.4
79.05496	80.5
81.03410	6.7
81.07059	100.0
83.04981	4.6
83.08630	11.7
85.02912	13.5
85.06528	3.9
86.09692	3.0
91.03951	5.4
91.05485	81.9
93.07045	87.1
95.04968	11.3
95.08610	74.2
97.02900	8.3
97.06549	5.3
97.10171	3.8
99.04443	2.2
99.08082	2.5
99.66666	1.5
105.04503	3.5
105.07037	70.9
107.08595	48.1
109.06514	6.1
109.10156	26.6
111.08093	2.2
115.05461	4.4
117.07023	28.5
118.39925	1.6
119.08582	60.7
121.06488	3.4
121.10146	42.6
123.08099	2.8
123.11691	8.6
125.09631	1.9
127.03911	1.9
128.06209	2.8
129.05472	1.7
129.07002	15.9
130.07820	1.6
131.08565	39.5
133.06677	2.0
133.09135	2.2
133.10133	43.7
135.08083	2.6
135.11700	23.6
137.09601	1.9
137.13258	2.2
141.07033	2.9
142.07768	3.4
143.08560	18.4
145.10129	36.4
147.11699	37.4
149.09641	3.2
149.13252	13.6
151.11153	2.0
153.06943	1.8
155.08551	5.4
156.09367	3.4
157.10126	15.6
159.08015	2.1
159.11684	26.7
161.13255	27.6
163.14856	6.7
167.08614	3.0
168.09450	1.7
169.10109	8.1
171.11687	19.9
173.09695	2.7
173.13297	22.7
175.11230	2.4
175.14801	12.8
177.12796	2.4
181.10094	1.8
183.11662	8.7
184.07335	9.2
185.13242	15.5
187.14760	8.7
189.16449	1.8
191.08476	1.8
195.11742	4.1
197.13300	7.7
199.14847	10.2
201.16414	5.0
203.14331	2.3
203.17947	2.1
209.13150	3.9
211.14824	5.1
213.16408	4.9
215.14319	2.0
215.17921	3.9
221.13159	2.7
223.14758	3.9
225.16331	2.1
229.19495	2.9
231.21098	5.1
239.17918	4.7
241.19566	24.3
243.21149	4.9
256.50238	1.6
257.19028	8.3
259.20575	52.5
261.22156	9.9
269.19336	2.0
270.41730	1.6
272.38120	1.7
277.21573	2.7
285.22168	1.7
297.22223	1.5
301.21603	2.0
313.21490	2.4
315.23157	3.9
325.21762	2.7
333.24240	36.7
335.25809	72.7
336.25903	2.4
337.27460	4.7
339.26682	1.8
351.25253	2.0
367.22623	5.0
375.25113	2.7
519.41876	5.7
537.42603	5.4
541.38367	1.9
593.45721	9.9
609.45245	4.5
611.46698	95.2
612.47162	4.8
623.46417	5.5
635.47375	2.2
677.47504	2.8
701.47876	4.6
719.48627	5.2
737.49219	4.3
755.50659	4.7
773.52191	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.1
55.05508	10.9
57.03427	3.8
57.07064	3.3
60.08163	2.2
61.02927	11.1
61.22265	0.9
67.05133	1.5
67.05504	19.1
69.03439	7.2
69.07070	8.5
71.04977	1.7
71.07364	1.2
71.08633	1.8
73.02922	6.9
77.24718	1.0
79.05494	13.2
81.03417	5.4
81.07056	18.0
83.04985	3.0
83.08626	5.9
85.02897	10.2
85.06578	1.4
86.09702	10.9
91.03944	7.2
91.05472	10.5
93.07047	16.2
95.04958	2.1
95.08608	17.7
97.02886	10.9
97.06519	1.8
97.10160	1.5
98.20794	2.7
99.04439	1.4
99.08082	1.3
101.02394	1.7
105.07043	12.7
106.07363	1.2
107.08582	7.9
109.02846	1.5
109.06488	1.3
109.10162	8.3
111.04452	1.6
117.07030	5.9
119.08581	9.9
121.10165	5.4
123.11683	1.9
125.00001	8.5
125.09595	1.4
127.03922	3.4
128.06244	1.3
129.07002	6.4
131.08588	11.9
133.10107	7.2
135.11697	4.4
137.34752	1.1
141.06985	2.4
143.08560	7.8
145.10123	11.3
147.11711	2.4
155.08507	5.2
157.10129	8.4
159.11696	7.9
161.13217	2.1
163.11203	1.0
167.08543	1.6
169.10162	6.8
171.11676	8.0
173.11925	1.2
173.13283	4.6
181.10106	3.4
183.11696	6.8
184.05794	2.3
184.07339	29.6
185.07658	3.0
185.13249	5.0
187.14844	3.0
189.16447	1.6
195.11748	2.8
197.13292	3.8
197.88048	1.1
199.14847	3.9
201.16336	2.5
209.13326	2.0
211.14833	4.0
213.16357	2.9
215.18037	1.6
221.13307	1.6
223.14813	1.7
225.16414	1.9
227.17984	3.2
229.19641	1.5
239.17914	1.4
251.17787	1.6
253.19536	1.2
269.22833	1.2
310.37820	1.1
313.27274	1.3
339.22418	1.1
339.26779	1.3
355.17642	1.1
519.41895	4.3
527.37250	1.1
529.39838	1.2
537.42908	2.2
593.45630	6.6
611.46722	100.0
612.46887	3.9
623.47040	2.1
653.47681	1.5
737.49420	1.8
773.52087	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	774.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.4
55.05520	10.3
57.03439	9.2
60.08159	2.5
61.02918	2.4
62.15202	1.1
62.27733	1.2
65.03940	2.3
67.05509	42.5
69.03441	1.4
69.07065	10.3
71.05009	2.5
71.53381	1.2
79.05499	24.0
81.07058	40.7
82.92596	1.3
83.04975	3.5
83.08615	5.2
85.02876	1.2
85.06536	2.7
86.09708	16.0
91.05488	31.4
93.07043	32.2
93.25554	1.1
95.04971	5.3
95.08611	25.8
97.02892	2.3
97.06533	2.7
97.10204	2.1
98.98531	1.4
99.04447	2.2
105.07037	21.4
107.08605	24.2
109.06522	2.5
109.10160	29.1
113.06005	3.0
117.07021	5.2
119.08595	10.5
121.10162	11.3
123.11716	7.4
125.00021	7.9
125.09619	1.9
127.07578	1.5
128.06264	1.9
131.08600	7.9
133.10139	53.4
135.11685	6.8
137.09624	1.4
143.08536	4.5
145.10143	2.8
147.11687	4.0
149.13258	3.0
151.11176	25.7
151.12358	1.8
155.00816	1.2
157.60635	1.5
159.11720	2.9
161.09650	11.7
161.13251	3.3
163.14839	1.5
163.94693	1.2
169.12263	3.4
173.13286	1.8
179.10680	8.5
184.07344	44.7
185.07582	1.4
187.14911	1.8
194.25854	1.3
197.11699	1.8
215.12801	12.2
243.21144	4.5
253.14348	15.7
254.48123	1.3
261.13486	1.2
261.22147	15.3
271.15430	4.7
299.15027	7.7
306.09818	1.4
317.15942	62.1
317.24597	3.8
335.25815	100.0
336.26224	3.2
460.38116	1.5
531.36829	6.0
559.35950	2.2
577.37347	45.7
578.37921	2.5
595.38281	1.4
643.47247	1.3
756.55157	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05514	20.3
57.03441	18.2
57.07070	2.2
58.13198	1.0
59.31976	1.0
59.68712	1.1
65.03934	3.5
67.05510	67.4
69.03431	2.2
69.07073	15.5
69.93284	1.9
69.93651	5.3
71.04998	5.4
71.08617	1.1
72.97356	1.1
79.05498	43.5
80.04697	0.9
81.03424	92.7
81.07062	66.7
83.04992	6.3
83.08629	24.8
85.02888	1.6
85.06545	2.1
86.09717	5.4
91.05491	34.2
93.07050	48.9
93.07640	2.3
95.04379	1.6
95.04977	32.5
95.08614	45.5
97.02897	1.9
97.06541	4.4
97.10190	8.3
99.08072	1.6
103.05418	1.5
105.07036	27.7
107.04955	7.9
107.08607	32.6
109.06512	4.9
109.10165	23.0
111.04471	2.1
111.08068	7.0
115.05464	2.1
117.07033	7.0
119.08586	23.8
121.06495	4.9
121.09323	1.9
121.10149	24.6
123.04438	1.4
123.08064	3.7
123.11687	7.0
124.99979	3.5
125.09651	5.4
129.07007	12.9
131.08571	19.7
133.06479	4.5
133.10139	16.1
135.08040	2.3
135.11696	15.1
137.09607	2.8
137.13283	1.8
139.11189	1.5
142.07738	2.5
143.08533	2.3
145.10161	10.0
147.08031	3.0
147.11694	17.9
149.09627	5.8
149.13287	5.3
151.11180	1.4
153.12599	1.0
155.08638	1.2
157.10124	12.5
159.11697	5.4
161.09720	1.3
161.13272	5.0
161.37964	1.0
163.11186	2.1
163.14821	3.4
165.12750	2.7
169.10242	1.3
171.11652	3.0
173.13301	7.2
175.11182	9.3
175.14757	3.1
184.07341	15.3
185.13252	2.3
187.11177	1.4
187.14806	3.4
189.11192	2.8
193.12259	21.6
197.13359	1.3
199.14801	1.4
201.16408	1.8
205.12273	1.3
211.13274	2.0
215.18010	1.6
227.12804	6.6
235.13222	1.4
243.21013	5.4
249.14781	2.6
261.22192	18.9
267.15924	100.0
279.23166	2.1
301.14319	1.4
301.25330	6.3
309.17044	2.9
317.24796	3.1
335.25818	93.7
336.26129	2.4
341.24884	1.3
417.31323	2.0
421.25943	1.9
435.27246	1.8
435.32629	5.0
453.33667	8.4
471.35025	5.0
475.30661	2.3
509.35983	2.0
527.37360	68.7
528.37531	2.6
545.38434	59.0
546.38782	2.5
559.39728	2.1
569.38208	5.3
611.39063	1.5
635.38806	2.1
653.40295	1.2
671.41516	2.0
756.56018	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5638
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
57.07066	0.1
58.06313	0.2
58.06633	0.4
59.07394	0.2
60.08166	5.8
67.05505	0.2
69.19591	0.7
70.06596	0.1
71.07379	3.2
77.62143	0.1
79.05487	0.1
81.07027	0.2
86.09708	29.0
87.10078	0.2
87.36521	0.1
93.07044	0.1
95.08629	0.1
98.20702	0.1
98.98468	3.1
104.10741	2.2
125.00010	18.7
125.46874	0.1
143.01048	0.1
166.02643	0.1
184.07346	100.0
185.07768	0.5
496.33884	0.1
611.58026	0.1
756.55359	6.7
757.54486	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	776.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	5.5
55.05515	41.0
57.03440	19.1
57.07069	2.1
59.04986	3.7
61.02911	3.4
65.03934	4.4
67.05508	100.0
68.05819	0.9
69.03434	3.2
69.07072	18.3
70.04427	2.5
71.01344	1.7
71.04971	4.0
73.02908	2.1
79.05496	48.3
81.03426	6.4
81.07060	62.8
83.04985	6.4
83.08160	0.9
83.08624	15.0
85.02909	15.3
85.06514	2.8
86.09697	2.7
87.04472	7.2
90.85047	0.8
90.87393	0.9
91.03948	1.6
91.05482	25.3
93.07050	49.4
93.44966	0.8
95.04948	5.9
95.08610	46.4
96.08915	1.2
97.02905	5.2
97.06533	4.8
97.10175	18.9
98.21431	1.0
99.08076	1.1
101.04590	0.9
103.03944	1.6
105.04564	1.2
105.07033	17.1
107.04937	2.8
107.08601	33.1
109.06510	3.7
109.10160	53.1
111.04418	2.2
111.08085	2.5
111.11732	0.9
117.07024	5.3
119.08586	15.3
121.06488	1.8
121.09324	1.5
121.10150	20.2
123.08040	1.4
123.11710	5.5
125.00003	0.9
125.09638	23.0
127.03876	0.9
129.07031	1.7
131.08575	12.4
133.10132	10.6
134.28111	0.9
135.08046	1.1
135.11690	16.0
137.09589	3.4
137.13255	1.4
139.11179	3.2
143.08588	2.4
143.10666	4.8
145.10127	9.6
147.08192	1.1
147.11688	7.3
149.09627	2.5
149.13243	7.6
151.11174	1.1
153.12746	1.4
155.10626	3.5
157.10141	3.1
159.11711	7.7
161.13281	5.8
163.11205	6.5
163.14778	3.6
165.12718	1.1
169.10107	1.5
171.11656	1.0
173.09610	1.4
173.11739	12.0
173.13281	5.4
175.14845	2.1
181.12219	1.5
184.07330	7.0
185.13234	2.1
187.14790	2.2
189.11205	2.4
189.16380	1.0
191.10660	1.9
191.14354	1.4
193.12199	2.8
199.13284	11.7
199.14928	1.0
201.16400	1.7
203.12730	1.0
209.11696	3.7
211.13293	1.3
217.14290	2.6
227.12782	7.1
229.14346	45.4
241.19553	1.5
243.21130	4.8
245.13849	2.9
247.65742	0.9
257.13925	1.7
259.20636	2.6
261.22171	16.8
267.15912	5.9
271.20444	1.2
275.19937	0.9
277.21585	1.9
283.15439	2.5
287.20120	1.3
289.21597	1.3
299.15152	1.2
300.15198	1.2
301.16479	23.5
301.90274	1.0
315.23431	1.2
317.24677	2.0
319.17456	1.9
327.23050	1.3
333.24133	1.9
335.25806	95.9
336.26059	3.7
351.25323	1.0
363.25174	2.4
396.01828	0.9
433.30911	0.8
451.32004	2.1
459.34692	1.8
477.35782	14.9
489.35760	18.3
490.36020	1.2
543.36877	5.9
561.37823	14.7
579.38745	5.7
723.42841	1.8
776.40454	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	776.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.0
55.05511	41.9
57.03194	1.4
57.03437	16.7
57.07072	2.5
58.29558	1.1
59.04978	3.8
61.02914	4.0
65.03920	2.8
67.05505	100.0
69.03424	2.9
69.07070	16.6
70.78207	2.6
71.04984	4.4
72.14129	0.9
73.02905	1.9
77.24832	1.0
79.05494	49.5
81.03426	5.6
81.07058	62.3
83.04976	6.9
83.08162	1.4
83.08624	18.5
85.02906	17.6
85.06524	3.9
86.09698	1.2
87.04459	6.5
91.05486	24.7
93.07044	50.0
95.04968	4.5
95.08608	43.0
96.84839	1.0
97.02885	5.8
97.06508	3.9
97.10172	19.2
99.04471	1.5
99.08073	2.0
103.03940	2.3
105.04530	1.6
105.07029	16.2
107.04962	2.3
107.08597	28.1
109.02890	1.0
109.06506	3.6
109.10160	57.0
111.08063	3.2
117.07025	6.3
119.08581	16.7
121.10150	19.0
123.08037	3.3
123.11697	5.9
125.00030	1.2
125.09631	22.1
127.03815	1.6
129.07014	2.5
131.08546	11.1
132.20921	1.1
133.10150	9.9
135.08104	1.3
135.11700	12.7
137.09610	3.6
137.13246	2.1
139.11159	2.7
143.08568	1.9
143.10692	3.6
145.10147	9.1
147.08035	1.5
147.11693	6.9
149.09566	2.7
149.13280	5.7
155.08563	1.7
155.10648	5.2
157.10135	2.1
159.11681	6.7
161.13275	5.7
163.11189	4.5
163.14816	3.2
171.11699	2.2
173.11719	13.2
173.13246	6.9
175.11264	1.5
175.14786	2.5
177.16356	1.1
181.12193	1.8
183.11688	1.5
184.07376	3.6
185.13205	2.5
187.14861	2.6
188.00008	1.1
189.11241	1.4
191.10628	1.4
193.12314	2.0
199.13283	13.2
209.11687	2.8
211.13272	1.6
217.14320	3.0
227.12834	7.1
229.14354	53.6
231.41957	1.0
231.96555	1.0
243.21126	4.8
245.13876	3.6
259.20746	2.4
261.22144	16.5
267.15942	7.9
271.20398	1.1
277.21582	1.9
283.15521	1.5
285.22122	1.3
289.21747	1.3
301.16467	21.1
315.23203	1.9
317.24707	2.7
327.23099	1.6
333.24289	1.6
335.25800	85.2
336.26175	1.6
351.25372	1.3
363.25229	3.1
437.41745	1.0
459.34601	2.7
477.35779	11.5
489.35687	21.6
517.35199	1.3
543.36615	4.0
561.37671	8.4
579.38495	3.2
736.85773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.1
55.05514	46.6
57.03441	15.5
57.07066	3.9
58.16307	0.8
59.04990	1.6
60.08164	1.7
61.02924	2.9
65.03944	4.7
67.05507	100.0
69.03421	4.7
69.06733	1.5
69.07072	19.1
69.33516	6.1
71.04989	4.9
73.02881	1.1
75.04459	1.0
79.05495	52.7
81.03416	8.6
81.07061	66.9
83.04994	6.9
83.08625	17.6
85.02910	16.9
85.06535	3.1
86.09694	4.6
87.04477	6.0
89.06036	0.8
91.03952	1.5
91.05490	25.3
93.07050	45.5
95.04971	6.2
95.08612	45.7
97.02906	4.4
97.06540	4.6
97.10176	24.9
99.08085	1.5
103.03883	1.3
104.10763	0.9
105.04530	1.0
105.07030	17.4
107.04935	3.1
107.07872	1.9
107.08596	29.9
108.33666	0.8
109.06522	2.1
109.10161	52.9
111.08087	2.3
113.06007	0.8
117.07030	7.5
119.08588	16.8
121.06546	1.1
121.10146	24.8
123.08112	2.1
123.11703	5.1
125.00014	4.5
125.09634	23.7
129.05492	0.9
129.06958	1.5
131.08568	12.4
133.10138	9.2
135.07980	1.3
135.11708	14.2
137.09613	4.1
137.13264	1.4
139.11160	3.3
141.31754	1.1
143.08536	2.1
143.09729	0.8
143.10631	4.7
145.10124	12.1
147.08051	1.2
147.11687	8.1
149.09576	2.4
149.13271	6.9
151.11168	1.4
153.12724	2.2
155.08597	1.4
155.10687	2.1
157.10141	3.5
159.11665	8.2
161.09508	1.0
161.13309	5.6
163.11211	7.7
163.14856	3.2
165.12761	1.4
167.10751	1.0
171.11716	2.1
173.09587	1.5
173.11746	13.4
173.13281	6.1
175.11153	1.3
175.14818	2.7
181.12283	1.8
183.13733	0.9
184.07352	17.4
185.11659	1.2
185.13255	1.5
187.14795	3.2
189.11256	1.9
191.10703	2.5
193.12280	3.6
197.13223	1.3
199.13272	12.2
199.14853	1.3
201.16258	1.3
203.12825	1.3
209.11725	3.7
211.13313	2.5
217.14339	2.9
227.12856	9.9
229.14354	46.1
233.18921	1.1
235.16891	1.3
241.14368	1.5
241.19540	1.7
243.21136	5.4
245.13791	4.2
259.20642	3.3
261.22144	16.8
267.15820	5.0
271.20383	1.2
276.36136	1.0
277.21698	2.9
283.15460	2.9
285.22232	0.9
289.21536	1.7
297.21985	1.5
299.23666	1.3
301.16443	24.1
315.23288	1.9
317.24814	1.6
319.17682	2.4
327.23117	2.7
333.24072	1.5
335.25818	92.9
336.26111	2.6
349.24097	1.0
363.25244	2.3
405.25903	1.1
451.32162	1.6
459.34644	1.8
469.33005	1.7
475.21173	1.5
477.35828	14.8
487.34021	1.2
489.35867	19.1
517.34381	1.2
525.35913	1.6
543.36847	6.7
561.37939	14.8
579.38892	8.4
776.32263	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	2.8
55.05518	19.5
57.03433	6.0
57.07066	2.2
60.08158	2.4
61.02910	2.0
67.05515	30.7
69.03439	3.2
69.07077	10.8
69.26244	15.3
71.04985	4.2
79.05497	32.7
81.02990	3.1
81.03423	30.2
81.07066	33.5
83.04967	5.4
83.08624	13.8
85.06554	2.6
86.09711	12.1
91.04981	2.6
91.05495	34.5
93.07056	35.8
95.04968	14.3
95.08618	21.8
97.02916	2.3
97.06539	2.7
97.10166	8.3
105.07038	33.4
107.04926	3.2
107.08607	20.0
109.06499	3.7
109.10168	11.5
111.08073	4.9
115.05365	1.8
117.07045	12.4
117.07726	2.2
119.08592	30.3
121.06522	3.2
121.10159	21.6
123.08060	3.4
123.11671	3.0
124.99998	5.9
125.09602	6.4
129.07019	10.8
131.08578	20.3
133.06415	2.2
133.10150	20.0
135.08080	4.1
135.11682	6.0
137.09621	2.9
140.13739	2.1
141.06985	2.4
142.07732	3.2
143.08591	9.0
145.10135	13.7
147.08041	4.3
147.11630	14.4
149.09615	3.2
149.13286	3.1
154.12376	1.8
155.08560	4.9
157.06407	3.0
157.10149	11.7
159.11687	13.4
161.09604	2.3
161.13235	6.8
169.10188	2.7
171.11694	8.4
173.13272	6.9
175.11209	5.1
180.32883	1.8
181.10144	2.7
183.11728	6.3
184.07353	35.2
185.13269	5.3
187.14841	2.2
189.11229	5.3
193.12286	6.5
195.11699	3.0
197.13261	4.8
199.11160	2.6
199.14912	2.7
201.12605	2.3
209.13255	3.7
212.34332	1.8
227.12767	6.3
241.19536	5.4
259.20630	11.8
267.15964	12.4
291.19434	2.3
299.23660	3.2
315.23157	2.2
325.21643	2.1
333.24261	6.7
397.17993	2.1
399.72217	1.8
421.25632	5.3
433.30948	7.1
435.27429	2.6
451.32339	10.1
465.21182	1.9
469.33029	6.7
474.47733	2.0
487.34164	2.1
502.79068	1.8
507.34518	2.3
516.36700	2.1
525.35809	34.2
543.36847	100.0
561.37854	32.1
708.41241	2.1
724.07983	2.3
776.38947	7.2
777.38422	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	778.5375
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05033	0.6
58.06633	0.5
59.07402	0.2
60.08165	5.8
65.38664	0.1
67.05495	0.2
70.06580	0.3
70.10683	0.4
71.07375	3.6
79.05511	0.1
81.07053	0.2
86.09708	29.1
87.10051	0.2
93.07034	0.2
93.62465	0.1
95.08616	0.1
98.98464	3.3
104.10747	2.0
107.08605	0.1
116.07092	0.2
116.08219	0.1
125.00007	20.6
143.01093	0.2
166.02597	0.2
184.07343	100.0
185.07718	0.5
209.28030	0.1
438.75946	0.1
458.70520	0.1
464.74789	0.1
481.35999	0.1
500.31149	0.1
518.32526	0.2
578.17078	0.1
778.53741	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	779.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.05511	2.1
57.03435	1.5
59.05004	0.8
61.02938	4.7
67.05512	5.2
69.03438	4.3
69.07077	1.7
71.53320	0.7
73.02938	4.1
79.05493	3.8
81.03421	2.6
81.07063	6.5
83.08619	1.0
85.02915	5.8
86.09714	2.6
87.04480	1.1
91.03957	3.6
91.05494	3.1
93.07056	3.3
95.04979	1.1
95.08623	4.6
97.02898	4.8
97.06559	0.7
99.04462	1.0
101.02399	1.9
105.07050	2.1
107.08607	1.7
109.02924	0.9
109.10188	2.1
111.32404	0.6
119.08617	1.5
121.10172	2.3
124.99984	2.6
126.12488	0.5
127.03936	1.2
131.08615	1.5
133.10156	1.4
135.11705	0.6
145.10214	0.6
147.11722	1.1
163.11404	0.6
184.07356	8.6
185.04251	0.7
185.07774	0.9
193.12340	0.8
223.50705	0.5
243.08453	2.4
261.22141	0.6
267.15961	0.7
283.15204	5.6
335.26248	0.9
338.28162	0.7
339.17795	0.9
473.22821	0.7
501.23145	7.6
519.29346	7.3
779.45563	100.0
780.45923	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	781.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.05515	0.9
57.03437	1.6
61.02930	3.8
66.63691	0.5
67.05516	2.4
68.66556	0.5
69.03424	2.1
69.07080	1.9
71.01359	0.4
71.04979	0.9
73.02924	2.4
79.05493	3.7
79.66373	0.5
80.45608	0.5
81.03418	2.3
81.07062	2.9
83.05009	0.8
83.08633	0.7
85.02911	4.6
86.09740	1.0
87.10071	0.4
91.03960	2.4
91.05493	4.0
93.07050	3.9
95.05034	0.7
95.08617	2.7
97.02911	4.0
97.06544	1.1
99.04461	0.8
101.02396	1.2
105.07048	1.7
107.04913	0.6
107.08602	2.6
109.02940	0.5
117.07025	1.0
119.08617	2.0
121.10123	2.6
125.00033	1.1
127.03933	1.3
129.07101	0.6
131.08588	1.1
133.10170	1.6
135.11699	0.9
139.11186	0.9
147.11711	1.2
149.09660	0.7
151.05362	0.5
157.10138	0.8
173.13379	0.5
184.07359	4.1
193.12286	0.8
228.45702	0.5
238.53600	0.5
243.08437	3.0
251.12650	0.6
269.13736	1.9
301.08911	0.9
313.08673	0.5
371.16907	1.1
424.58197	0.5
443.19006	6.0
465.21283	1.1
469.20313	2.5
487.21600	4.9
521.94318	0.5
535.28790	8.0
536.29138	0.6
559.23907	0.8
643.34900	0.7
737.41132	1.1
763.42859	1.6
781.43439	100.0
782.43823	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	785.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.0
55.05507	8.9
55.63279	1.0
57.03447	5.2
58.04624	1.0
61.02928	23.8
61.03224	1.7
65.03947	1.2
67.05508	19.9
67.54482	0.9
69.03432	6.7
69.07069	8.5
71.05013	2.0
71.53205	1.7
73.02906	5.8
78.21816	0.9
79.05496	20.0
79.05920	1.7
80.02135	0.9
81.03437	4.3
81.07056	21.3
83.04995	1.4
83.08605	6.9
85.02903	25.2
85.06553	2.2
86.09760	1.0
91.03962	12.2
91.05488	23.8
91.06019	1.8
93.07044	20.4
95.04979	4.2
95.08611	14.2
97.02898	14.4
97.06516	4.9
97.10217	2.8
99.04452	1.3
99.08131	1.0
103.05463	1.5
105.07034	20.3
105.07697	1.5
107.04984	4.0
107.08587	9.8
109.02894	1.7
109.06536	3.3
109.10143	6.8
111.08114	2.8
115.05460	2.6
117.07028	16.5
119.04991	1.1
119.08591	11.0
121.06523	3.4
121.10120	5.9
123.08073	2.8
123.11747	1.5
125.09623	1.8
127.03928	5.7
128.06271	4.5
129.07011	22.1
129.07925	1.4
131.04950	1.2
131.08568	21.5
131.09512	1.3
133.06509	4.4
133.10150	7.4
135.08090	4.0
135.11734	3.3
137.09668	1.1
139.07533	0.9
141.07001	8.7
142.07764	1.7
143.08569	16.6
145.05008	5.1
145.06447	4.6
145.10130	10.5
147.04515	1.7
147.08093	4.9
147.11740	3.8
149.09637	3.9
153.07025	1.5
154.07784	1.8
155.08551	14.6
155.09727	1.3
157.06535	2.9
157.10139	9.5
159.08081	3.2
159.11702	5.7
160.11406	1.1
161.09633	2.3
163.03934	1.5
163.06047	3.3
163.07393	1.0
163.11226	1.9
165.06950	1.4
165.58165	0.9
166.07817	1.5
167.08566	6.6
168.09419	1.2
169.10139	10.3
171.08072	3.3
171.11694	7.4
173.09691	2.7
173.13255	2.2
175.11217	2.2
177.12744	1.5
179.08582	3.7
181.10135	7.7
183.08223	1.4
183.10287	1.3
183.11703	5.9
185.09630	2.2
185.13293	3.3
187.11241	2.6
187.14957	1.5
189.12805	1.7
193.10208	3.3
195.11659	6.2
197.09761	1.5
197.13307	3.0
199.11218	2.3
199.14836	3.2
201.12747	2.0
203.14397	2.0
207.11778	4.0
209.13255	5.1
211.11252	1.7
211.14917	3.6
213.12816	3.5
213.16530	2.0
215.14389	2.4
221.13335	4.0
223.14865	4.3
225.12798	1.2
225.16531	1.9
228.16455	1.1
233.13327	1.7
233.15454	1.3
235.14943	3.2
239.14342	2.7
253.15891	1.8
257.15363	2.4
258.08865	1.1
271.17041	2.8
283.17108	1.2
283.48605	1.0
285.18616	2.0
323.23798	4.1
333.22134	9.1
341.24786	4.0
351.23175	24.0
369.24231	16.4
387.25262	9.3
415.28854	1.3
425.26877	7.9
433.29672	1.9
443.27936	100.0
444.28568	3.1
444.36151	1.0
444.42975	1.1
461.28992	69.0
462.29227	2.4
467.27963	1.2
485.29825	1.5
503.30112	2.3
569.30939	1.6
587.31921	2.6
605.33099	3.1
623.34320	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	785.4835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.5
55.05515	40.1
57.03433	7.3
57.07064	4.3
59.05016	2.4
61.02924	10.0
65.03950	2.9
67.05510	61.2
69.03442	12.5
69.07067	19.4
71.04990	4.8
71.53576	2.3
72.42809	1.8
73.02921	4.6
73.03288	2.0
75.48779	1.6
75.79230	1.6
79.05499	47.0
81.03430	15.7
81.07063	47.1
83.04971	7.4
83.08624	17.8
85.02909	11.7
85.06550	3.1
86.09713	2.6
87.04460	2.4
91.03973	4.3
91.05490	37.0
93.07053	35.0
94.15102	1.9
95.04962	9.3
95.08617	30.3
97.02876	9.3
97.06532	3.8
97.10177	22.5
105.06385	2.5
105.07043	25.8
107.04973	5.4
107.08609	27.1
109.02864	2.3
109.06516	3.9
109.10172	18.4
109.82569	1.7
111.08092	4.3
115.05466	4.0
117.07024	23.3
119.08589	24.4
121.06525	3.9
121.10146	14.7
123.08047	4.7
123.11694	3.6
125.00013	2.2
125.09640	18.8
127.03887	3.8
128.06230	5.4
129.07034	19.2
130.07797	2.0
131.08575	19.3
133.06526	2.2
133.10146	16.2
135.08041	5.8
135.11702	4.4
137.09689	1.9
141.07004	11.3
142.07774	3.2
143.08580	21.9
145.06485	4.1
145.10144	18.6
146.35655	1.7
147.08055	3.4
147.11699	9.8
149.09605	4.0
149.13229	3.1
151.70030	1.7
153.06979	4.7
153.09099	3.8
154.07756	3.1
155.08569	17.3
157.06525	2.1
157.10149	20.1
159.08081	2.5
159.11684	11.3
161.09633	3.1
161.13252	4.9
165.06934	3.3
167.08614	9.6
168.09288	3.0
169.10156	14.7
170.10777	3.0
171.08052	4.2
171.10350	3.0
171.11636	12.7
173.04416	2.5
173.09618	3.1
173.13300	6.0
175.11182	2.1
175.14774	3.4
179.08617	4.2
180.09346	3.6
181.10129	11.6
183.08133	3.2
183.11678	14.9
184.07381	6.6
185.09631	4.8
185.13268	9.1
187.14809	3.7
189.11244	10.4
191.08603	2.1
193.10136	6.9
195.11710	11.3
197.09683	3.8
197.13295	11.0
199.11198	3.7
199.14874	8.1
205.10150	2.4
207.11719	8.3
209.13251	8.3
211.11084	2.4
211.14911	8.1
213.12842	2.5
213.16331	4.3
219.11694	3.0
221.13376	5.1
223.11259	2.4
223.14874	7.2
225.16496	4.8
227.12669	12.8
233.13248	2.4
235.14778	4.9
237.12827	3.2
237.16354	3.9
239.14342	2.1
239.17912	3.8
245.13803	1.9
247.14717	2.7
253.19731	2.5
255.17538	2.2
257.19055	3.3
259.20813	2.3
263.17770	2.0
269.18890	2.2
271.17056	2.1
273.18512	4.1
275.20178	4.1
283.20660	3.2
285.18594	1.7
291.19580	7.5
295.20795	2.1
313.21671	2.0
319.20316	2.3
367.22324	2.9
379.29874	5.6
445.30981	2.6
511.34634	3.1
513.37012	4.1
525.36096	3.9
529.34778	2.3
531.38495	11.6
541.34961	2.5
549.39282	5.4
553.34766	2.1
554.35767	3.3
605.33234	2.3
605.42078	33.4
623.43085	100.0
624.42926	5.1
641.43658	2.4
703.04047	1.8
731.43701	2.4
749.45709	5.8
767.46545	7.1
772.29114	1.8
785.48267	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	786.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.5
58.06618	0.4
60.08168	7.1
65.12455	0.2
67.05524	0.2
71.07376	3.9
71.16912	0.4
72.46256	0.2
85.50783	0.2
86.09711	34.4
87.10065	0.5
95.08567	0.4
98.98479	3.5
104.10756	3.5
125.00011	21.5
184.07349	100.0
185.07697	1.2
186.07869	0.3
194.33388	0.2
287.95532	0.2
451.90454	0.2
477.32126	0.3
584.21063	0.3
768.50977	0.5
786.52734	10.3
787.52258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05038	0.9
58.06620	0.5
59.07386	0.2
60.08166	7.5
67.05492	0.2
69.07068	0.2
69.24199	0.8
69.24628	0.4
70.06599	0.2
71.06991	0.2
71.07375	3.7
74.29694	0.1
78.41161	0.1
79.05494	0.2
81.07041	0.3
86.09708	33.5
87.10028	0.2
93.40247	0.1
98.98467	3.7
104.10745	2.9
109.30885	0.1
125.00008	21.5
128.93800	0.1
143.01151	0.2
166.02652	0.3
184.07344	100.0
185.07690	0.6
186.07811	0.2
204.96700	0.1
222.18059	0.2
496.34018	0.2
564.68561	0.2
649.60559	0.2
734.74316	0.1
768.51910	0.3
786.52765	9.1
787.52557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.5
57.07064	0.4
60.08162	6.4
60.46775	0.3
67.05505	1.0
71.07368	3.3
71.08614	0.7
81.03409	0.4
81.07044	0.9
81.34803	0.3
83.08640	0.3
86.09708	28.6
87.10051	0.3
91.05482	0.8
93.07056	0.4
98.98472	3.6
104.10732	3.0
111.29148	0.3
112.91321	0.3
125.00008	21.9
184.07343	100.0
185.07639	0.6
198.93353	0.4
226.55991	0.3
313.27325	0.5
325.74521	0.3
496.33548	0.5
523.39581	0.5
561.38104	0.4
603.41779	0.4
768.38208	0.5
768.51770	10.3
769.52124	0.7
786.51996	1.3
800.27350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	15.3
55.05274	2.8
55.05516	36.4
55.56039	2.6
57.03440	19.4
57.07080	4.8
59.04984	4.9
61.02916	10.2
65.03947	8.5
67.05509	94.0
69.03432	20.4
69.07073	35.4
71.04993	7.3
71.52877	4.6
73.02914	7.5
79.05074	4.2
79.05500	68.2
80.63138	2.4
81.03425	45.4
81.07060	100.0
83.04989	16.2
83.08610	21.1
84.76100	2.2
85.02911	19.3
85.06541	3.3
86.09709	5.5
87.10065	2.4
91.03966	5.0
91.05486	72.9
93.07049	78.9
95.04980	14.7
95.08607	63.0
96.09000	2.5
97.02900	21.2
97.06532	16.2
97.10164	8.1
99.04444	6.2
99.08090	3.4
99.98444	2.4
103.05466	5.1
105.07037	67.7
107.04958	8.6
107.08608	36.5
109.02893	8.1
109.06529	9.2
109.10145	22.7
111.04456	3.8
111.08092	7.9
115.05473	7.9
117.07021	31.2
119.08588	51.1
121.06521	9.2
121.10153	31.5
123.08076	9.6
123.11701	8.8
124.99970	4.3
125.09617	9.5
127.03942	8.6
128.06226	5.2
129.05527	3.4
129.06993	24.1
130.07729	2.7
131.08574	44.0
133.06502	6.9
133.10138	39.8
135.08064	7.8
135.11702	13.8
137.09676	3.9
139.11224	3.4
141.07001	10.0
142.07784	6.8
143.08566	28.6
145.06483	4.4
145.10138	40.3
147.08089	6.8
147.11700	31.0
149.02354	26.5
149.09613	7.9
149.13272	11.7
150.02707	6.9
151.11127	4.4
153.07063	3.0
155.08556	19.3
156.09375	3.3
157.10143	21.3
159.08057	5.1
159.11703	27.8
161.09669	7.1
161.13272	14.3
163.11227	4.5
163.14804	3.4
165.12804	2.9
167.08586	12.5
169.10112	20.6
171.08078	2.8
171.11687	17.9
173.04524	13.9
173.09688	5.3
173.11868	4.9
173.13297	17.1
175.11179	4.4
175.14854	5.5
177.12756	6.2
179.14442	2.6
181.10149	11.7
183.11658	17.6
184.07373	17.8
185.13274	12.8
187.11249	3.7
187.14780	7.1
189.12816	3.0
193.04979	22.4
193.10057	5.0
194.05354	5.1
195.11728	12.4
197.09688	3.0
197.13271	13.5
199.11223	3.8
199.14827	9.9
201.12627	2.9
201.16309	3.6
207.11743	4.2
208.12299	2.5
209.13326	9.8
211.11296	3.3
211.14799	7.0
221.13223	4.8
223.14867	6.1
227.12836	3.7
227.18147	3.4
229.14279	3.0
231.17453	3.5
231.21178	3.6
235.14970	3.9
237.16284	3.6
239.18018	4.5
241.19548	8.2
251.18063	4.1
257.19055	8.2
259.20532	13.8
261.22241	5.0
267.15781	6.6
269.17355	4.9
273.18607	4.8
273.22055	3.2
275.20117	17.1
277.21918	3.1
283.20566	3.6
291.19638	3.2
333.24313	14.7
335.26086	15.2
336.25684	2.8
339.23135	3.5
347.22589	3.3
349.23694	10.1
365.23630	2.6
413.21597	3.3
435.32513	4.1
439.32864	3.3
509.36185	4.0
513.35870	18.2
515.37787	10.8
527.37476	23.0
533.39801	4.9
543.36078	4.5
545.37848	4.0
551.40961	3.8
567.40131	3.0
588.47119	3.2
589.42218	4.1
591.38940	2.8
597.45227	4.2
607.34229	3.9
607.43646	61.6
625.44684	76.8
635.39667	4.1
653.40802	7.0
671.41003	4.7
689.42407	13.7
733.46112	6.1
751.47113	4.9
769.49591	12.0
770.17328	9.2
771.17920	3.5
787.50360	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	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	15.2
55.05517	31.9
57.03439	17.5
57.07067	5.2
61.02912	4.2
65.03931	4.1
67.05507	82.3
69.03438	21.3
69.07074	32.8
70.97351	4.6
71.04996	12.9
73.02919	7.0
79.05500	71.1
81.03430	58.8
81.07066	100.0
83.04986	18.1
83.08635	18.8
85.02913	13.2
85.06531	3.2
91.03960	3.2
91.05482	72.7
93.07048	75.5
95.04975	16.4
95.08617	59.3
97.02905	23.0
97.06540	15.0
97.10178	8.4
99.04462	7.2
99.08097	4.4
103.05444	3.3
105.04522	6.2
105.07038	76.3
107.04962	10.7
107.08605	46.5
109.02887	10.2
109.06522	12.6
109.10160	25.0
111.04436	4.0
111.08104	7.0
115.05439	3.7
117.07033	30.8
119.08586	53.7
121.06522	3.8
121.10131	30.5
123.08076	7.0
123.11704	8.7
125.09669	6.4
125.68124	2.1
127.03928	9.1
128.06248	6.6
129.05479	6.1
129.07016	24.1
131.08569	42.9
133.06506	4.6
133.10132	43.8
135.08046	6.3
135.11679	17.9
137.09608	2.7
141.06998	7.4
142.07771	3.2
143.08571	24.0
145.06488	3.4
145.10127	40.9
147.08083	3.7
147.11684	31.3
149.09624	4.0
149.13278	12.5
151.11191	5.3
155.08549	13.7
157.06548	4.6
157.10155	24.9
159.08087	4.0
159.11661	20.5
161.09625	5.4
161.13322	14.4
163.11198	5.0
165.12756	4.4
167.08578	8.2
168.09393	3.3
169.10133	17.3
171.08086	4.4
171.11719	17.7
173.04454	25.1
173.09723	3.8
173.13260	20.9
175.11218	4.9
175.14818	9.0
177.12787	5.8
179.08530	4.2
179.14412	4.8
181.10159	8.7
182.10980	3.1
183.11655	13.6
184.07365	6.2
185.09660	5.4
185.13257	14.9
185.14661	2.7
187.14833	7.3
191.14391	2.6
193.10159	3.3
195.11659	8.7
195.13733	3.5
197.11705	2.6
197.13318	10.1
199.11279	2.9
199.14880	5.8
201.16409	3.5
203.14397	3.0
205.12259	2.4
207.11748	5.4
209.13364	4.7
211.14906	4.8
213.12817	3.7
213.16591	3.4
217.15936	2.7
221.13385	4.3
223.14813	5.5
225.16467	4.8
227.12790	2.4
229.14253	4.0
229.19513	2.9
239.18031	3.6
241.19507	9.9
243.21164	3.6
251.17900	3.3
257.19061	6.5
259.20468	16.6
261.22153	5.2
267.15851	9.9
269.17563	7.4
271.20703	4.0
273.18417	5.6
275.20145	20.8
301.21552	3.8
313.21667	2.9
315.23306	3.0
323.23779	2.9
333.24466	16.2
335.25928	12.9
349.24036	11.8
365.24228	3.1
367.22559	2.9
375.25562	3.2
385.23853	3.7
413.21826	4.0
435.32813	4.0
453.33600	3.8
509.36484	4.6
513.35388	4.4
515.38287	7.3
527.37335	30.3
529.38623	4.1
543.36646	3.8
545.38092	3.3
551.40411	3.5
597.45374	4.0
607.43640	45.0
625.44690	53.2
635.39191	4.2
653.40344	6.0
671.41174	10.6
689.42419	17.5
733.46857	3.5
751.47882	5.6
769.48505	5.5
787.48199	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	787.499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.05518	25.8
57.03442	9.7
57.07074	2.1
61.02909	5.9
65.03943	2.1
67.05511	54.1
69.03418	4.8
69.07074	16.2
70.70903	2.8
70.71278	2.4
71.04992	2.8
73.02898	1.7
77.03938	2.1
78.28513	1.2
79.05503	43.7
81.03422	3.8
81.07063	57.6
83.04966	4.3
83.08623	11.7
85.02891	5.4
85.06551	1.8
86.09717	2.7
91.03951	2.4
91.05486	61.3
93.07050	44.0
95.04972	8.7
95.08614	39.3
95.09184	0.8
97.02895	2.7
97.06532	6.4
97.10164	5.9
99.08070	1.4
103.05449	3.4
105.07042	43.9
107.04948	4.1
107.08594	20.4
109.06507	6.9
109.10160	14.4
111.08063	1.5
115.05463	5.3
116.06252	3.6
117.06236	1.9
117.07027	30.1
119.04934	1.7
119.08591	23.6
121.06512	4.1
121.10155	14.6
123.04475	1.3
123.08076	7.0
123.11722	2.6
125.00040	2.2
125.09625	3.2
128.06226	13.6
129.07014	17.6
130.07787	5.4
131.07599	2.9
131.08577	56.1
133.06499	5.7
133.10159	11.0
135.08047	3.6
135.11710	6.6
137.09637	2.1
139.11189	1.9
141.07013	7.7
142.07759	4.7
143.08569	51.7
144.09297	2.3
145.06477	2.6
145.10132	50.2
147.08029	6.6
147.11707	7.8
149.06000	1.5
149.09657	2.3
149.13264	3.5
151.07555	1.6
151.48615	1.3
155.08583	6.6
156.09406	1.8
157.10152	14.7
159.08037	2.4
159.11713	13.7
161.09596	7.2
161.13274	3.1
163.11229	4.1
165.07097	1.9
165.12770	1.4
167.08571	2.3
169.10146	9.4
171.11694	11.7
171.58141	1.3
173.09608	2.3
173.13300	2.1
175.11203	3.5
177.12743	2.7
180.09303	2.3
181.10167	8.5
183.11729	7.0
184.07336	5.4
185.13216	5.1
187.11281	1.6
187.14713	1.7
190.90921	1.6
195.11740	11.5
199.14864	1.6
201.12733	2.2
211.14885	3.2
213.12769	1.6
227.17914	5.3
237.16382	13.5
245.19084	2.8
255.17435	14.2
257.18860	1.5
261.22171	4.4
273.18512	48.7
291.19458	1.9
329.21097	5.8
335.25821	100.0
336.26199	3.1
347.22202	28.8
384.54059	1.3
475.34286	1.8
561.37256	2.1
607.43567	48.8
608.45587	1.5
625.44098	5.9
787.48969	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	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	19.0
55.05514	22.2
57.03445	19.2
57.07083	5.8
59.65522	3.2
61.02916	4.0
61.84566	3.1
65.03963	3.3
67.05511	95.8
68.05824	5.4
68.70404	3.1
69.03433	9.8
69.07075	38.6
70.21450	13.7
71.04993	6.9
79.05495	66.3
80.05834	4.1
81.03419	14.4
81.07059	95.1
83.04975	7.6
83.08627	14.3
85.02901	4.8
85.06516	3.3
86.09702	6.4
91.05489	87.7
93.07046	81.0
95.01327	5.1
95.04962	20.7
95.08610	56.7
97.02892	4.3
97.06533	28.8
97.10150	7.3
105.07033	100.0
107.04962	19.8
107.08595	44.7
109.06534	12.3
109.10152	31.9
111.08071	6.1
115.05434	4.4
117.07011	27.0
119.08589	57.4
121.06512	6.7
121.10136	23.3
123.08058	7.7
123.11707	7.1
125.00025	4.6
129.07025	11.8
131.08572	44.2
133.10141	53.2
135.08089	7.3
135.11702	18.2
137.09587	5.6
143.08565	14.3
145.10103	30.7
147.11714	31.2
149.09633	9.5
149.13277	8.0
155.08618	4.7
157.10181	9.6
159.11702	30.2
161.09622	6.7
161.13203	18.8
163.11203	6.0
163.14799	5.0
169.10135	6.0
171.11674	8.3
173.11844	5.8
173.13290	9.2
175.11125	5.1
175.14877	8.0
177.12735	3.6
179.14326	9.0
183.11736	4.2
184.07399	18.1
185.13306	9.1
187.11183	5.6
187.14868	4.4
194.17357	3.2
197.13234	7.9
203.17624	3.2
219.17479	5.4
229.14308	22.9
230.14740	10.7
239.17935	4.5
241.19542	11.6
257.18893	6.9
259.20599	26.6
261.22128	3.4
273.18576	11.0
274.13699	3.6
275.20059	63.9
279.16156	3.7
280.36490	3.1
291.19397	4.5
297.16998	5.4
315.23270	10.1
333.24222	48.4
335.25812	31.2
336.26114	19.9
347.22083	6.9
348.14020	3.3
349.23730	33.7
361.64941	3.3
490.35849	9.7
533.07458	3.2
558.38495	6.3
607.34192	5.4
607.43585	72.0
625.44617	21.9
787.49451	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	788.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.8
55.05515	27.7
56.52487	2.6
57.03445	12.7
57.07082	3.9
63.11107	2.8
65.03924	4.3
67.05506	100.0
69.03391	5.3
69.07065	29.7
70.34377	8.1
71.04990	7.0
79.05495	96.5
81.03426	12.8
81.07058	86.3
83.04991	18.3
83.08647	17.8
85.06563	6.3
86.09734	5.9
91.05482	67.5
93.07043	83.0
95.04997	18.0
95.08610	42.4
97.02930	3.0
97.06543	17.3
97.10172	10.0
105.07031	50.0
107.04931	10.4
107.08591	42.3
109.06495	13.7
109.10151	31.3
111.08089	6.9
117.07020	16.0
118.48119	2.6
119.08588	35.9
121.06521	4.8
121.10129	14.0
123.08056	7.5
123.11699	4.0
125.00026	3.0
125.09676	5.5
127.07564	2.9
129.07027	20.2
131.08559	16.3
133.10123	31.7
135.08072	6.8
135.11694	7.9
137.06023	2.8
137.09593	3.2
143.08588	10.3
145.10114	24.5
147.08029	3.1
147.11684	42.3
149.09634	10.7
149.13321	6.1
151.11174	2.7
159.11722	8.9
161.09666	8.6
161.13257	13.9
163.11192	2.7
171.11682	31.2
173.11819	4.9
173.13255	4.1
177.12741	3.4
184.07321	11.6
189.12805	7.7
207.13820	15.0
227.12715	6.0
229.14319	15.0
257.19012	4.1
265.81265	3.0
269.17447	13.1
275.20117	31.2
281.17487	69.6
299.14975	5.8
349.23703	20.2
351.17889	2.5
367.24622	5.3
435.27448	70.8
451.27002	5.4
457.29300	3.1
475.30576	97.7
476.30862	5.3
493.27805	4.4
537.35815	5.0
555.36981	68.2
556.36609	4.0
573.38208	20.9
579.31030	3.0
619.34113	3.4
632.68634	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	788.5438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.1
56.05040	0.8
57.07068	0.1
58.06625	0.6
59.07385	0.1
60.08166	6.4
67.05502	0.2
69.07075	0.1
69.52370	0.5
70.06590	0.1
71.07375	3.6
71.08634	0.1
72.74046	0.1
79.05508	0.1
80.97419	0.1
81.07051	0.3
83.08634	0.1
86.09708	31.8
87.03489	0.1
87.09345	0.1
87.10029	0.1
91.05506	0.1
91.61220	0.1
93.07041	0.1
95.04971	0.1
95.08598	0.2
98.20789	0.1
98.98469	3.6
104.10745	3.4
109.10216	0.1
116.99480	0.1
125.00008	20.7
128.47128	0.1
143.01080	0.2
145.29562	0.1
166.02661	0.2
184.07344	100.0
185.07693	0.4
243.75487	0.1
247.28400	0.1
253.61317	0.1
330.35233	0.1
496.34082	0.3
650.44110	0.1
676.45770	0.1
688.17065	0.1
690.47150	1.0
730.49969	0.2
752.52216	0.2
770.53149	1.2
771.54163	0.1
788.54358	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	788.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.6
57.07066	0.1
58.06623	0.5
59.07385	0.1
60.08166	6.6
67.05490	0.3
69.27889	0.1
70.06574	0.2
71.07374	3.7
73.36285	0.1
79.05468	0.2
80.97440	0.1
81.07047	0.2
83.05015	0.1
86.09708	31.5
87.10056	0.1
91.05502	0.2
93.07056	0.2
94.37089	0.1
95.04975	0.2
95.08609	0.1
98.98467	3.4
104.10748	2.9
109.10158	0.1
125.00008	22.0
125.32602	0.1
131.08698	0.1
143.01045	0.2
162.43503	0.1
163.88503	0.1
166.02698	0.2
184.07344	100.0
184.43442	0.1
185.07651	0.4
320.80081	0.1
336.26157	0.1
496.33905	0.2
562.38611	0.2
676.45337	0.1
690.47186	1.4
730.50000	0.1
752.52374	0.2
770.53168	0.9
788.54437	3.9
789.54742	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	788.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
57.07069	0.2
58.06357	0.1
58.06620	0.4
59.07384	0.2
60.08167	6.1
63.03687	0.1
67.05502	0.2
67.93340	0.1
70.82957	0.3
71.06987	0.2
71.07377	3.7
71.08658	0.2
71.62990	0.1
81.07050	0.1
86.09710	32.7
87.10023	0.3
98.97865	0.3
98.98475	3.6
104.10744	3.0
125.00011	20.9
132.15672	0.1
133.10080	0.1
160.97632	0.1
166.02708	0.2
168.04601	0.1
184.07349	100.0
185.07809	0.6
196.50795	0.1
314.39465	0.1
496.33835	0.3
513.52435	0.2
521.33069	0.2
680.51764	0.1
770.53619	0.7
782.35352	0.2
788.54327	11.0
789.54871	0.3
822.95044	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	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05519	20.4
57.03447	10.1
57.07077	2.5
59.04988	2.1
61.02923	2.4
65.03940	4.7
67.05508	42.6
67.12965	2.1
69.03438	4.1
69.07080	18.8
71.04996	7.3
71.53463	3.2
79.05069	3.4
79.05499	43.2
81.03424	38.8
81.07062	40.4
83.04980	5.6
83.08624	14.5
83.76026	1.9
85.02895	3.2
85.06537	3.4
86.09702	5.8
91.05482	42.4
93.07050	37.3
95.04974	13.4
95.08609	24.0
97.02866	2.6
97.06535	6.4
97.10156	10.6
99.08060	2.6
103.05427	2.5
105.07040	42.8
107.04957	6.4
107.08605	23.7
109.06509	4.1
109.10168	14.6
111.08095	4.3
113.09678	1.8
117.07027	15.8
119.08591	34.2
121.06492	1.8
121.10156	22.8
123.08065	4.5
123.11719	4.4
125.00018	2.0
125.09654	8.5
128.06177	3.4
129.07001	12.1
131.08577	21.9
133.10144	24.0
135.08066	4.8
135.11700	8.6
141.07083	4.0
142.07797	2.7
143.08577	10.9
145.10138	17.9
147.07999	2.2
147.11697	18.0
149.09618	5.7
149.13210	2.4
155.08551	5.6
157.10138	13.7
159.11705	15.1
159.53311	1.6
161.13275	7.6
163.11172	4.9
165.12895	2.2
167.08578	3.5
169.10127	5.5
171.11694	6.9
173.11885	1.8
173.13228	8.7
174.66943	1.7
175.11197	5.6
175.14850	2.7
181.10136	3.3
183.11717	6.3
184.07303	12.4
185.13275	8.0
187.14922	3.5
189.11227	3.0
189.12781	2.3
193.12257	5.6
195.11765	3.7
197.13264	3.8
199.14801	4.4
209.13336	3.4
211.13243	2.0
227.12827	5.9
229.14171	2.3
231.21014	2.0
241.19543	6.1
259.20560	13.1
267.15948	17.1
273.18375	1.7
283.20398	1.9
299.15070	2.6
299.23676	4.1
333.24417	10.5
339.23215	3.0
349.23734	2.9
389.67584	1.8
411.28766	1.8
415.29669	2.1
421.25742	7.1
433.30856	9.5
435.27335	7.4
447.27844	2.0
451.32593	8.8
461.28802	1.9
469.33231	5.5
503.33774	2.1
507.34619	4.3
517.35236	4.2
525.35846	48.9
543.36877	100.0
544.36688	2.8
557.38336	8.4
567.36407	2.3
575.39716	15.8
614.65442	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	790.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05033	0.8
57.07066	0.2
58.06629	0.5
60.08167	5.9
67.05492	0.4
69.07065	0.2
69.17001	1.3
71.07379	3.6
71.08628	0.2
77.19438	0.1
78.26570	0.1
79.05500	0.2
81.07051	0.4
85.11021	0.1
86.09709	29.1
87.10044	0.8
93.07042	0.3
95.08616	0.4
98.98470	3.5
98.99117	0.2
104.10741	2.7
105.07052	0.2
107.08628	0.2
109.10141	0.2
119.08534	0.1
125.00008	20.3
126.00358	0.2
143.01025	0.3
145.96294	0.1
152.88695	0.1
166.02678	0.3
184.07346	100.0
185.07692	2.2
186.07796	0.9
259.20572	0.2
274.26974	0.1
496.34036	0.2
547.32629	0.2
563.39581	0.2
690.47040	0.9
772.54736	2.9
790.55841	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	790.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.8
56.18451	0.1
57.07047	0.1
58.06612	0.5
59.07375	0.1
60.08164	7.1
67.05501	0.1
70.06573	0.1
70.76928	0.2
70.77254	0.1
71.07371	3.6
81.07046	0.1
86.09703	32.4
87.10029	0.2
88.88295	0.1
98.98460	3.1
104.10738	3.0
108.64036	0.1
111.26935	0.1
118.82688	0.1
125.00000	22.1
163.01581	0.1
184.07333	100.0
185.07678	0.6
188.58163	0.1
269.06418	0.1
355.88434	0.1
496.34076	0.2
590.13080	0.1
690.47095	2.0
754.53058	0.1
772.54932	1.3
790.55811	4.4
791.56567	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	790.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.3
55.13752	0.1
56.05039	0.9
56.63620	0.1
57.07067	0.2
58.06623	0.5
59.07388	0.1
59.73264	0.1
60.08166	7.0
60.83574	0.1
67.05502	0.4
70.06603	0.2
71.07375	4.1
71.08636	0.2
79.05489	0.2
79.87687	0.1
81.07053	0.3
83.04979	0.1
83.08628	0.2
86.09708	33.4
87.10011	0.5
93.07009	0.2
95.08595	0.2
97.10168	0.1
98.21542	0.2
98.98470	3.6
104.10748	2.9
105.07019	0.2
105.44479	0.1
107.01760	0.1
107.08574	0.2
109.10152	0.1
111.40752	0.1
114.69964	0.1
117.07021	0.1
125.00008	22.2
126.00422	0.2
127.00423	0.1
133.10112	0.2
143.01083	0.2
166.02661	0.2
176.00885	0.1
183.33241	0.1
184.07344	100.0
185.07700	1.9
186.07817	0.7
210.58415	0.1
212.72368	0.1
241.39656	0.1
496.34183	0.1
648.42474	0.1
772.54791	6.8
773.55103	0.2
790.55933	6.4
791.56024	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.6
55.05515	17.0
57.03443	11.0
57.07085	3.1
61.02931	2.9
61.03195	0.5
65.03923	2.5
67.05508	63.0
69.03414	0.8
69.07070	16.4
70.69082	1.7
71.04977	2.0
73.02934	0.6
77.03917	1.0
79.05495	40.4
81.03420	0.9
81.07058	58.4
83.04980	1.8
83.08620	5.8
85.02885	2.2
85.06531	2.5
91.03943	1.1
91.05484	24.4
93.07047	46.9
94.91618	0.6
95.04976	2.9
95.08611	45.0
97.02876	1.8
97.06537	2.8
97.07090	0.6
97.10172	3.0
99.08086	1.0
105.04530	1.4
105.07033	18.2
107.08601	24.1
109.06522	1.1
109.10163	21.3
111.08070	1.3
111.11739	0.8
115.05447	0.8
117.07016	7.6
119.08595	16.0
121.10148	20.0
123.08047	1.2
123.11713	6.6
125.09640	1.0
127.03867	0.9
129.06987	1.2
131.08560	12.4
133.10138	11.4
135.10696	1.0
135.11700	14.9
137.09619	0.9
137.13269	2.8
143.08583	1.8
145.10124	10.8
147.11702	9.2
149.09685	0.7
149.13263	7.7
151.11157	0.6
157.10110	2.2
159.11717	8.6
161.13275	7.6
163.14832	4.0
165.12706	1.1
169.10138	0.8
171.11664	2.2
173.13268	7.4
175.14824	3.3
177.16400	1.6
184.07382	0.7
185.13274	2.5
187.14825	3.9
189.16383	0.9
197.13194	0.7
199.14865	1.7
201.16365	1.5
203.17838	0.7
211.15038	0.7
233.22672	0.9
239.17973	0.8
241.19522	3.4
243.21088	5.1
257.18851	0.6
259.20551	7.4
261.22144	17.7
263.23691	2.3
273.22067	1.0
279.23257	1.1
299.23566	0.8
304.16840	0.6
315.23224	0.6
317.24792	4.7
333.24146	7.0
335.25806	100.0
336.26187	1.6
337.27429	9.9
503.36438	0.8
503.42868	0.9
514.83423	0.7
521.43756	1.3
539.44250	0.8
543.40997	0.7
595.47229	14.6
613.48254	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	794.5329
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.8
57.07043	0.1
58.06622	0.5
59.07392	0.2
60.08165	7.0
67.05502	0.6
70.06599	0.2
70.73067	0.1
71.07372	3.9
79.05483	0.4
79.63853	0.1
81.07068	0.4
83.08639	0.2
86.09705	33.1
86.86092	0.1
87.04469	0.3
87.10034	0.2
91.05476	0.4
93.07033	0.2
95.08582	0.3
98.98463	3.4
104.10745	3.0
105.07034	0.2
107.08580	0.2
107.46505	0.1
109.10173	0.2
110.87164	0.1
125.00005	22.8
132.03996	0.1
133.10152	0.2
143.01050	0.2
166.02724	0.3
169.19926	0.1
184.07341	100.0
185.07733	0.6
473.23181	0.1
534.32104	0.2
554.02405	0.1
611.47308	0.1
705.54248	0.1
722.91144	0.1
794.53296	7.0
795.53906	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	794.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	17.9
57.07064	6.3
59.08375	2.2
59.57187	1.7
61.02910	4.9
65.03925	5.3
67.05506	100.0
69.07068	35.7
69.30881	13.8
71.04969	1.9
71.08630	2.3
79.05495	45.1
81.07056	99.6
83.04984	3.2
83.08615	18.7
85.02884	3.9
85.06528	3.5
86.09704	3.2
87.04461	5.3
91.05481	29.2
93.07046	55.5
95.04963	4.0
95.08610	79.8
97.02878	1.9
97.06511	4.5
97.10184	8.6
98.21452	4.1
105.07024	23.2
107.08590	32.0
109.06454	1.8
109.10157	31.5
111.08080	4.5
111.11707	2.0
117.07003	8.4
119.08595	19.0
121.10143	25.3
123.11720	14.7
123.73363	1.8
129.06903	2.0
131.08557	10.8
133.10147	17.2
135.11705	17.5
137.13263	5.8
145.10092	7.4
147.11658	10.4
149.13290	13.1
151.14844	2.2
159.11682	8.6
161.13289	8.8
163.14781	4.5
171.11682	1.7
173.13237	7.3
175.14844	5.2
175.17874	1.6
177.16408	2.9
184.07338	4.7
185.13403	2.2
187.14812	4.0
201.16362	2.2
233.19157	1.9
233.22417	1.7
241.19626	3.4
243.21190	8.0
245.22650	3.6
259.20575	5.9
261.22107	20.9
263.23755	4.2
303.23053	1.7
317.24789	4.5
333.24188	4.6
335.25815	79.7
336.25949	2.4
337.27356	87.1
338.27765	2.7
339.28693	6.6
472.70261	2.1
523.44708	3.8
597.48785	33.2
598.49176	2.9
615.49792	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.5484
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.7
57.07073	0.2
58.06601	0.3
60.08163	6.2
67.05495	0.2
71.07377	3.4
74.85706	0.1
79.39571	0.1
81.07054	0.2
86.09708	30.9
91.05457	0.1
93.07030	0.2
95.08591	0.2
95.47426	0.2
98.98466	3.4
104.10743	2.1
117.90763	0.1
125.00008	21.0
159.45456	0.1
184.07344	100.0
185.07643	0.6
198.13840	0.2
264.20752	0.2
428.44119	0.2
431.61078	0.2
472.46393	0.1
481.57510	0.2
500.31097	0.2
518.32062	0.2
778.53827	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	796.5487
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	0.6
57.25095	0.1
57.37971	0.1
58.06633	0.6
60.08166	6.4
67.05507	0.3
68.61064	0.1
70.06594	0.2
70.99549	0.1
71.07380	3.7
79.05508	0.2
80.60540	0.1
81.07055	0.3
86.09711	31.0
87.10020	0.3
91.39564	0.1
92.24166	0.1
95.08611	0.2
98.20788	0.3
98.98469	3.3
101.96068	0.1
104.10748	2.1
125.00009	20.6
127.50720	0.2
143.01067	0.2
157.22424	0.2
166.02623	0.2
168.53572	0.1
184.07347	100.0
185.07709	0.9
186.07693	0.3
251.67419	0.2
344.46249	0.1
530.58679	0.2
778.53833	5.5
796.54297	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	796.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.9
58.06599	0.3
60.08168	6.6
67.05495	0.3
70.06567	0.3
71.07000	0.2
71.07377	3.4
71.19502	0.3
71.19834	0.3
79.05515	0.2
81.07055	0.4
86.09711	33.8
93.07061	0.2
98.98469	3.9
104.10753	3.2
116.91029	0.2
125.00013	21.3
166.02629	0.3
184.07350	100.0
185.07744	0.7
190.58766	0.2
205.65932	0.2
336.57602	0.2
351.06598	0.2
360.53702	0.2
520.34100	0.2
525.23663	0.2
537.76495	0.2
574.35742	0.2
576.29498	0.2
607.06854	0.2
778.53687	0.4
796.54871	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	796.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
58.06637	0.4
59.07145	0.1
59.07404	0.2
60.08165	5.8
61.08492	0.1
67.05507	0.3
69.56283	0.4
69.56686	0.2
70.06596	0.1
71.07374	3.5
79.05483	0.2
81.07050	0.4
86.09708	29.6
87.10025	0.6
91.05479	0.1
93.07047	0.3
93.77876	0.1
95.08633	0.2
98.98470	3.0
104.10745	2.2
105.07057	0.1
107.08613	0.1
109.10162	0.2
119.08540	0.1
125.00006	20.0
126.00349	0.1
127.00391	0.1
134.09645	0.2
143.01036	0.1
144.08051	0.1
152.06003	0.1
160.11244	1.1
166.02609	0.2
178.12234	0.1
184.07343	100.0
185.07693	2.1
186.07811	0.7
249.34241	0.1
258.08939	1.3
511.78000	0.1
518.31628	0.1
778.53802	5.8
779.53528	0.1
782.87561	0.1
796.53632	0.8
803.93481	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	797.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.2
59.30091	0.2
61.02930	6.3
66.57323	0.2
67.05511	5.8
67.13171	0.3
69.03435	3.8
69.07081	1.5
70.09749	0.9
71.01372	0.6
71.05001	0.4
73.02922	5.3
79.05495	4.1
81.03417	1.6
81.07063	5.3
83.05001	0.5
83.08631	0.7
85.02911	6.0
86.09720	0.8
87.04461	0.4
91.03956	3.9
91.05489	2.7
93.07047	4.6
93.98238	0.3
95.04945	0.4
95.08614	4.5
97.02895	5.3
99.04469	0.9
101.02399	2.1
103.03986	0.4
105.07042	1.8
107.08587	2.0
109.02900	1.0
109.10160	1.7
115.03938	0.4
117.07013	0.6
119.08620	0.9
121.10173	1.7
123.11758	0.4
125.00054	0.9
127.03922	1.6
127.31378	0.2
129.07008	0.3
131.08600	0.8
133.10136	0.4
135.11729	1.0
145.05054	0.3
145.10155	0.7
147.11731	0.7
149.13324	0.4
152.49368	0.2
159.11722	0.2
159.68242	0.2
161.13284	0.3
167.41963	0.2
184.07362	2.9
185.04324	0.8
193.62665	0.3
203.05377	0.5
242.72102	0.3
243.08482	1.7
243.10703	0.3
248.18365	0.3
335.25821	1.0
341.63062	0.3
519.29333	11.0
520.29565	0.3
632.53192	0.3
797.51776	100.0
798.52197	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	798.5647
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05018	0.4
58.06626	0.4
60.08167	5.9
67.05496	0.7
71.07367	3.4
71.53368	0.5
81.07044	0.6
86.09711	28.1
98.98457	3.0
104.10754	2.8
112.95058	0.4
125.00014	18.9
166.80023	0.4
168.73840	0.5
184.07353	100.0
185.07605	1.3
224.03371	0.4
266.16241	0.4
298.67117	0.4
325.56662	0.4
433.59982	0.4
481.36917	0.4
780.55139	2.1
798.56305	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	798.5641
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.6
58.06638	0.4
58.64151	0.1
59.07393	0.2
60.08165	6.0
64.61784	0.1
67.05493	0.2
69.07072	0.1
70.06594	0.1
70.77458	0.2
71.07376	3.1
79.05480	0.1
81.07064	0.3
86.09708	28.5
87.10031	0.2
93.07030	0.1
95.08627	0.1
98.98471	3.2
102.36663	0.1
104.10738	1.9
104.57058	0.1
105.07072	0.1
105.94444	0.1
124.21824	0.1
125.00006	19.3
143.01060	0.1
166.02655	0.1
184.07343	100.0
185.07727	0.7
185.80112	0.1
187.47380	0.1
502.32819	0.1
518.31860	0.1
520.33899	0.1
523.48560	0.1
780.55298	6.8
781.54614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
58.57783	0.8
61.02931	6.4
67.05509	6.1
69.03430	4.2
69.07074	2.1
69.85941	0.9
71.18846	2.2
73.02919	4.2
79.05505	2.9
81.03427	2.4
81.07063	7.4
81.52961	1.0
83.08637	1.1
85.02899	5.0
86.09718	1.2
91.03965	3.1
91.05507	1.8
93.07056	2.6
95.08610	5.6
97.02880	5.6
98.21444	1.2
99.04463	1.5
101.02397	2.7
105.07040	1.3
107.08640	1.8
109.10148	1.1
121.10212	1.5
125.00033	1.2
127.03919	1.7
129.27681	1.0
156.07837	1.0
167.56039	0.9
173.79347	0.9
174.66769	1.0
184.07362	6.4
222.36656	0.8
243.08565	1.9
389.30899	1.2
449.63367	1.1
519.29144	5.7
521.31012	3.5
586.20459	1.0
799.53333	100.0
800.53815	4.0
818.37817	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90270	1.2
57.03445	10.3
59.04990	1.8
61.02911	2.2
65.03936	1.6
67.05186	1.3
67.05510	21.0
69.03088	1.7
69.03429	22.0
69.07066	8.3
70.63921	2.2
70.64256	1.2
71.05000	8.0
73.02904	2.5
79.05494	26.2
80.31808	1.0
81.03420	100.0
81.06590	1.7
81.07053	26.3
83.04985	22.0
83.08624	19.5
85.02448	1.6
85.02911	25.4
85.06527	3.0
89.48503	0.9
91.03916	1.1
91.05483	30.3
93.06483	1.5
93.07048	18.4
95.04974	29.0
95.08617	9.7
97.02303	1.5
97.02892	22.5
97.06530	7.6
97.10172	5.0
99.04446	6.6
101.02408	1.2
101.09599	1.2
105.07031	24.8
107.04955	8.9
107.08596	11.9
109.02877	18.9
109.06522	4.9
109.10133	4.7
111.04446	10.7
111.08089	10.3
113.06034	1.6
115.05428	3.1
117.07013	4.5
119.04926	1.8
119.08582	19.8
121.06540	6.2
121.07256	1.0
121.10142	9.4
123.04431	4.3
123.08067	3.0
123.11676	2.7
125.09612	4.1
127.03905	15.3
129.05458	3.4
129.07022	11.5
131.04903	1.3
131.08578	12.6
133.06491	4.1
133.10158	9.2
135.04410	1.9
135.08041	3.0
135.11652	2.8
137.05975	1.7
137.09654	1.8
139.03893	1.1
142.07796	2.1
143.08528	2.1
145.04944	1.9
145.06444	2.5
145.10133	4.3
147.04366	1.8
147.08098	2.4
147.11694	19.3
149.09618	6.0
151.11232	1.7
153.12746	2.5
155.08557	1.4
157.10155	15.0
159.08041	1.8
161.06001	1.3
163.03880	2.0
163.11136	5.0
165.12706	6.3
173.04449	5.5
173.05922	2.0
173.09535	1.9
175.11201	14.5
181.12286	3.2
183.06487	1.3
184.07256	1.2
189.05429	1.2
189.11197	2.4
191.10603	2.6
193.12242	45.4
205.12393	1.1
207.13765	1.2
211.13295	51.5
213.14888	1.1
227.12755	4.0
229.14275	6.3
231.13931	1.8
235.13249	1.6
237.12759	1.3
241.12154	1.2
249.14848	4.0
253.07092	1.5
267.09222	1.4
267.15942	28.2
271.08139	1.4
273.14813	2.9
283.15384	3.4
285.10181	1.5
285.14069	1.8
285.16977	22.0
289.14227	1.6
301.14267	6.2
319.15350	3.2
321.16940	1.1
329.17624	1.2
337.16412	3.4
355.17590	6.4
367.22629	2.9
375.18002	3.4
385.23709	3.2
393.19037	3.9
403.24734	1.7
411.20172	8.0
425.24768	1.1
429.21204	13.5
433.25510	1.5
459.27429	19.0
462.69275	1.1
477.28461	24.7
481.21158	1.2
495.29547	13.6
501.28128	2.2
519.28925	2.0
538.33069	1.1
543.29340	1.6
561.30475	2.0
573.30389	1.3
585.30542	7.8
603.31683	6.0
621.32684	19.2
639.33649	32.3
640.33612	1.5
644.38831	1.2
747.35229	1.8
765.36426	1.6
783.37933	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	803.494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	26.7
57.07078	3.3
61.02919	5.8
63.17982	1.2
65.03932	6.2
67.05510	74.8
69.03421	5.1
69.07068	17.2
71.04995	4.5
71.53638	2.3
73.02935	2.9
77.03952	1.5
79.05023	1.5
79.05495	62.1
81.03425	11.9
81.07063	61.0
83.04987	7.3
83.08609	9.3
85.02899	5.4
85.06551	14.4
91.05487	63.7
92.20167	1.4
93.07050	56.3
93.07642	2.7
95.01328	1.8
95.04975	61.7
95.08612	41.0
97.02878	3.2
97.06546	9.5
97.10158	4.7
99.04447	2.5
99.08088	2.5
103.05496	1.8
104.06277	1.7
105.04568	2.1
105.06319	2.1
105.07036	55.0
107.04961	14.5
107.08604	30.0
109.06526	59.3
109.07277	3.5
109.10163	10.5
111.04446	1.9
111.08093	2.9
113.06007	35.8
115.05464	2.9
117.07018	27.5
119.06149	1.8
119.08588	40.2
121.06539	7.0
121.10145	18.4
123.08097	9.3
123.11704	2.2
125.00018	1.5
127.03886	1.6
128.06219	4.9
129.07004	18.4
130.07800	2.4
131.08572	43.8
133.06516	5.2
133.10138	31.5
135.08061	41.5
135.11687	18.0
137.05968	2.0
137.09630	2.1
141.06963	5.4
142.07813	2.5
143.08565	20.2
144.09419	1.9
145.06509	5.5
145.10124	29.7
147.08038	8.9
147.11699	17.3
149.09590	7.2
149.13280	6.3
151.11205	1.8
155.08575	6.7
156.09373	1.8
157.10139	15.5
159.08098	5.3
159.11705	21.0
161.09590	7.8
161.13248	12.6
163.11162	3.7
163.14790	2.1
165.09131	1.9
165.12703	1.8
167.08592	2.7
169.10144	8.3
171.11699	14.1
173.09534	1.8
173.13239	12.6
175.11203	4.2
175.14825	6.5
177.12723	6.9
181.10068	3.7
183.11696	6.9
184.07428	1.7
185.13289	10.0
187.11232	6.9
187.14865	4.4
189.16351	2.2
195.11662	4.3
195.13693	1.8
197.13248	1.9
199.11203	2.4
199.14877	8.6
201.12802	2.9
201.16429	2.8
205.12093	2.2
209.13304	3.4
211.14886	3.6
213.16371	3.9
217.15915	11.6
221.13258	2.7
221.15335	1.7
223.14885	2.0
227.17986	3.6
231.21025	2.2
237.16486	2.6
239.17955	2.5
241.14227	2.1
241.19464	10.4
245.18970	1.9
253.09572	1.5
255.17426	2.8
257.19037	4.4
259.20584	18.2
273.18506	25.0
275.20139	3.4
279.15906	16.0
287.19733	1.5
291.19547	67.6
293.21143	1.9
315.23230	6.2
320.25977	1.6
327.26880	4.8
333.24231	33.7
347.22263	5.9
349.24011	1.4
356.61304	1.5
365.23245	17.5
503.38611	1.9
509.36157	2.2
513.36713	3.4
531.38171	5.0
543.36487	4.1
549.39685	1.7
565.38818	3.4
567.40686	2.6
595.43286	2.1
605.42133	17.4
623.43079	100.0
624.43280	3.3
641.44183	31.7
803.51019	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	805.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	19.8
57.07077	2.3
60.08159	4.9
65.03936	4.3
67.05508	57.5
69.03423	2.2
69.07072	10.7
70.71106	3.7
71.04993	3.4
71.07395	1.5
79.05499	38.6
81.03419	2.6
81.07059	50.2
83.04984	4.5
83.08622	4.5
85.06535	8.6
85.44674	1.2
86.09712	20.1
87.10032	2.2
87.48492	1.2
87.66614	1.1
91.05486	29.6
92.64737	1.2
93.07050	35.1
93.07640	1.8
95.04974	48.8
95.08606	25.1
97.06526	5.2
97.10176	2.1
98.98474	1.6
104.10722	1.7
105.07027	21.4
107.04946	7.4
107.08587	20.7
109.06522	56.3
109.10164	7.2
111.04445	1.7
111.08114	2.7
113.06011	20.2
115.05362	1.2
116.06182	1.4
117.07033	11.5
119.08588	15.6
121.06500	7.2
121.10148	10.6
123.08064	3.3
123.11686	1.4
125.00026	11.9
129.06970	6.0
131.08580	15.2
133.06487	2.2
133.10126	7.7
135.08061	38.2
135.11642	7.6
143.08572	6.9
145.10133	14.1
147.08051	7.1
147.11694	4.1
149.09622	5.9
149.13266	3.7
157.10155	5.0
159.08127	1.8
159.11688	5.1
161.09642	8.2
161.13306	2.5
163.11206	3.2
169.10149	1.7
171.11720	4.1
173.09619	1.2
173.13324	3.0
175.11212	1.9
177.12762	3.2
181.10095	1.7
183.11678	1.7
184.07358	49.2
184.09007	2.6
185.07744	6.2
185.13196	1.4
187.11127	2.3
195.13875	1.9
197.13237	1.5
199.14839	3.0
201.12694	1.1
217.15915	10.1
227.17896	1.7
237.16135	1.8
245.19099	1.4
255.17453	2.1
273.18530	30.9
275.20032	1.4
291.19547	100.0
292.19995	1.8
309.20639	2.1
335.25797	43.2
347.22208	8.3
365.23196	17.8
567.40405	2.5
579.38336	4.7
600.11066	1.2
607.43506	14.1
625.44568	70.6
626.44806	2.8
657.26764	1.2
784.33026	1.5
805.40320	1.6
805.53961	3.7
805.98120	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03192	1.0
57.03446	11.5
57.07072	1.6
57.12543	0.7
59.05011	1.1
60.53118	0.7
65.03947	1.1
67.05509	37.0
69.03443	1.2
69.07066	9.6
70.76936	2.3
71.04981	1.2
74.94131	0.7
79.05495	29.0
81.03423	1.6
81.07060	41.5
83.04990	1.5
83.08601	4.5
85.06542	2.8
86.09718	1.3
91.05486	30.7
91.59107	0.8
93.07050	31.1
93.07639	1.6
95.04961	3.6
95.08608	27.8
97.06550	3.6
97.10181	2.2
99.04462	2.5
99.08047	0.7
105.04508	0.9
105.07034	24.0
107.04959	4.2
107.08595	16.8
109.06535	4.8
109.10162	10.7
109.10846	1.3
111.08087	1.8
113.09608	0.8
117.07024	9.9
119.08590	19.8
121.06523	1.5
121.10156	12.4
123.08076	2.2
123.11723	2.1
124.99968	0.8
128.06209	1.0
129.07002	2.7
131.08569	16.4
133.10133	13.1
135.08032	2.0
135.11694	8.2
137.09653	2.4
143.08565	1.6
145.10120	10.8
147.08099	0.7
147.11703	6.1
149.09625	2.4
149.13243	2.8
153.12729	0.9
155.08530	0.8
159.11691	5.8
161.13271	2.6
163.11206	1.2
163.14810	1.3
170.08420	0.7
171.11678	1.6
173.13239	3.5
175.14838	1.0
179.14377	1.3
183.11783	1.2
184.07332	9.1
185.13304	1.8
201.16368	1.7
203.14410	1.9
219.17448	68.2
220.17648	0.8
257.19089	1.8
261.22125	0.8
275.20087	15.7
293.21265	0.9
335.25806	67.5
336.26108	0.8
337.55304	0.8
349.23715	16.3
388.99234	0.8
543.40143	0.9
609.45154	100.0
610.45465	2.1
724.86566	0.8
768.68109	0.8
806.52826	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	14.4
57.07066	2.8
57.54232	2.0
61.02932	3.8
65.03940	6.4
67.05507	90.5
69.07069	26.6
69.18354	14.2
69.18768	3.1
71.04998	4.3
79.05497	80.0
81.03431	3.3
81.07060	87.8
83.04946	3.5
83.08608	13.2
83.26709	2.0
85.02892	2.4
85.06552	2.6
86.09668	1.8
91.03967	2.0
91.04905	2.5
91.05486	78.7
93.07047	100.0
95.04974	8.7
95.08616	70.4
96.64767	1.8
97.02934	2.0
97.06512	4.8
97.10167	6.0
98.21561	2.9
99.08089	2.1
105.04584	2.9
105.07032	75.0
107.08601	45.2
109.06512	6.1
109.10160	31.4
111.08089	3.3
112.87322	1.7
115.05455	2.4
117.07012	25.0
119.08587	61.9
121.10152	47.6
123.08044	2.4
123.11681	11.7
125.09570	2.0
127.03802	2.0
128.06160	2.7
129.07014	17.5
130.07747	3.3
131.08569	38.4
133.10135	52.7
135.08101	3.6
135.11711	30.4
137.13287	4.3
138.26396	1.9
142.07715	2.4
143.08560	13.8
144.09337	2.0
145.10129	34.9
147.11685	46.4
149.13271	18.3
155.08600	4.1
156.89157	2.0
157.10120	15.7
159.11719	27.8
161.13283	31.1
163.14821	6.4
169.10081	5.1
171.11693	15.6
173.13278	20.6
175.14847	12.2
177.12759	2.3
183.11687	5.6
184.07355	4.3
185.13312	12.9
187.14844	6.1
189.12845	2.7
189.16301	3.4
197.13258	4.0
199.14845	7.2
201.16435	3.9
211.14775	3.4
213.16396	6.1
215.18059	2.4
227.17909	2.1
229.19624	2.2
231.21016	4.2
239.17961	3.7
241.19527	22.6
243.21051	3.7
257.19006	9.7
259.20587	80.5
261.22122	13.3
275.20120	3.0
277.21585	2.2
315.23221	5.5
331.22766	4.4
333.24225	68.2
335.25821	88.8
337.27393	5.5
349.21582	2.2
385.23862	2.6
501.35379	3.0
519.41840	5.6
534.08240	2.0
541.38898	2.0
593.45520	12.3
611.46655	70.8
612.47052	2.4
701.47131	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	12.4
57.07064	3.8
61.02917	4.2
64.27489	0.9
65.03932	3.5
67.05508	67.4
69.03430	2.8
69.07070	27.7
69.81139	3.6
69.81557	2.2
71.04983	3.3
79.05497	47.3
81.03413	3.4
81.07060	72.2
83.04977	4.3
83.08626	13.0
85.02906	3.6
85.06528	3.2
91.03935	1.4
91.05486	36.3
93.07047	57.0
95.04980	7.3
95.08613	54.3
97.02879	4.0
97.06527	8.6
97.10175	3.6
99.04434	1.1
99.08086	2.8
105.04501	1.9
105.07037	28.7
107.08598	30.4
109.06541	4.9
109.10166	19.9
111.04443	1.1
111.08073	3.7
115.05438	1.6
117.07024	8.4
119.08588	30.4
121.10144	26.2
123.08077	3.8
123.11720	6.8
125.09706	1.1
129.07021	4.4
131.08575	14.4
133.10141	18.2
135.11700	15.9
137.09686	1.2
139.11238	1.7
143.08562	5.3
145.10133	12.2
147.11702	20.0
149.09686	2.7
149.13275	9.7
151.11258	2.4
157.10117	3.3
159.11688	9.3
161.13249	9.5
163.11169	1.6
163.14799	4.0
165.12775	2.6
169.10103	1.2
171.11656	5.4
173.13290	6.5
175.11147	1.2
175.14870	3.8
177.16371	1.5
179.14299	1.0
181.12172	1.0
183.11647	1.1
184.07402	2.4
185.13277	3.8
187.14803	3.6
189.12721	1.6
195.68657	0.9
199.14848	2.5
201.16458	0.9
213.16429	1.4
215.18069	1.1
231.20911	1.9
241.19568	6.3
243.21132	3.0
259.20593	16.9
261.22174	7.8
267.16006	1.2
275.20142	1.6
277.21622	23.0
315.23083	1.9
317.24765	1.8
333.24268	12.1
335.25821	100.0
336.26270	1.5
350.32135	1.1
351.25311	47.2
489.35773	4.1
529.38922	1.6
593.44781	1.2
611.46759	54.2
612.46997	2.1
629.47601	3.2
633.97003	1.0
655.68481	1.3
808.52533	3.4
816.00580	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5697
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68604	0.1
57.07063	0.2
58.06622	0.5
59.07393	0.1
60.08165	6.1
63.28952	0.1
67.05488	0.3
67.18725	0.1
69.07052	0.1
70.06603	0.2
71.01805	0.1
71.07375	3.3
75.93736	0.1
79.05470	0.1
79.13332	0.1
80.97424	0.1
81.03420	0.2
81.07035	0.2
83.08622	0.2
86.09707	30.4
87.10028	0.2
91.05500	0.2
93.07046	0.1
94.19790	0.1
95.08600	0.1
98.98469	2.9
104.10748	2.8
109.10183	0.1
118.30190	0.1
125.00007	20.7
136.63394	0.1
143.01054	0.2
144.70505	0.1
166.02684	0.1
166.20740	0.1
184.07343	100.0
185.07628	0.5
221.06407	0.1
267.16199	0.1
271.67001	0.1
289.51740	0.1
313.27325	0.2
373.18097	0.1
467.37506	0.2
496.34177	0.2
507.31689	0.1
650.43921	2.8
690.46991	2.0
692.41071	0.1
721.10687	0.1
749.16809	0.1
754.53705	0.6
772.41302	0.2
772.54919	2.2
790.56067	2.3
808.57019	3.7
833.52417	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	810.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	4.5
60.08164	3.1
63.71557	0.9
67.05503	7.1
69.07070	3.1
71.07372	13.5
71.08634	3.2
71.53072	1.0
71.53500	1.6
75.38560	1.0
77.84869	0.9
79.05505	4.9
80.82133	0.9
81.03432	1.3
81.07052	7.1
85.10174	1.3
86.09711	73.9
87.10052	1.1
91.05486	4.7
93.07053	4.7
95.04977	1.1
95.08605	6.2
98.98493	2.8
104.10761	1.6
105.07095	2.5
107.08627	2.1
109.06564	1.7
109.10159	3.0
119.08600	2.3
121.10155	1.7
125.00007	14.7
125.75196	1.0
133.10164	1.3
146.98178	15.3
184.07350	55.9
200.97462	1.1
284.75674	1.1
303.19418	2.0
331.18781	1.0
474.92322	1.3
627.45929	57.5
628.46191	1.5
751.45184	100.0
752.45532	3.2
790.17938	1.0
810.52466	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	812.543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07073	0.2
58.06619	0.5
59.07408	0.2
59.09824	0.1
60.08164	6.3
67.05503	0.4
68.34309	0.1
68.56445	0.1
69.07062	0.1
70.00336	0.3
70.06586	0.2
71.07375	4.0
71.08633	0.2
79.05470	0.3
80.50723	0.1
80.97425	0.1
81.07053	0.3
83.08604	0.2
85.10181	0.1
86.09705	33.7
87.10033	0.2
91.05468	0.2
93.07067	0.2
95.08612	0.3
97.10170	0.3
98.98465	3.3
104.10743	2.6
104.93027	0.1
125.00005	22.4
125.09663	0.2
131.08574	0.1
143.01030	0.1
146.98178	0.3
159.05046	0.1
166.02652	0.2
184.07339	100.0
185.07689	0.7
276.67130	0.1
279.32895	0.1
293.21219	0.2
305.21066	0.1
462.22961	0.1
550.31201	0.1
596.27802	0.1
629.47626	2.5
681.45599	0.1
753.46655	3.1
783.85712	0.1
789.79382	0.1
794.53290	0.4
812.54248	7.9
813.53186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06595	0.4
60.08165	6.2
67.05492	0.4
69.07071	0.4
71.07375	3.7
71.08642	0.2
71.53436	0.2
81.07053	0.6
82.74486	0.2
83.08595	0.3
84.16228	0.2
85.10178	0.2
86.09708	33.5
87.10030	0.4
93.07030	0.2
95.08602	0.3
97.97408	0.2
98.98470	3.5
104.10742	3.2
116.96381	0.2
125.00008	21.3
146.98193	0.4
155.98131	0.2
184.07344	100.0
185.07692	0.6
291.19586	0.5
425.82947	0.2
434.34317	0.2
629.47534	1.4
679.05194	0.3
685.46979	0.2
753.46948	2.4
769.70691	0.2
794.52289	0.4
809.34869	0.2
812.54260	9.8
813.53070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06364	0.2
58.06630	0.4
60.08164	6.1
67.05499	0.2
70.06604	0.2
71.07375	3.5
79.05494	0.2
86.09706	29.2
91.05505	0.1
93.07061	0.2
95.08603	0.2
98.20760	0.4
98.97864	0.3
98.98470	3.1
104.10736	2.1
121.17178	0.1
125.00005	21.7
128.46683	0.1
139.87737	0.1
143.01099	0.2
184.07341	100.0
185.07732	0.4
201.16263	0.1
220.91791	0.1
321.93890	0.1
518.32343	0.2
776.52277	8.5
777.52057	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	813.5117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.9
60.08167	1.5
61.02939	4.7
67.05507	3.6
69.03432	3.7
69.07066	1.1
71.05000	0.5
71.07375	1.0
71.49556	0.5
73.02935	2.8
79.05494	4.4
81.03406	1.5
81.07051	4.9
82.03725	0.6
83.08607	0.8
85.02905	3.8
86.09705	5.3
87.10028	1.0
91.03959	2.9
91.05487	2.8
93.07047	4.4
95.08603	3.9
97.02913	4.8
97.10183	0.5
98.98455	0.8
99.04481	0.8
101.02404	1.3
105.07049	2.4
107.08624	1.9
109.02914	0.8
109.10176	1.3
115.03957	0.7
117.06975	0.9
119.08589	1.8
121.10158	2.1
122.36691	0.5
123.11707	0.9
124.07073	0.5
125.00018	4.9
127.03940	1.3
131.08614	1.3
133.10143	1.7
135.11707	1.6
140.56160	0.5
145.10147	1.0
147.11729	0.9
161.13298	0.6
173.86644	0.5
184.07347	19.9
185.04317	0.8
185.07716	1.9
203.05226	0.6
243.08437	3.1
301.08975	1.5
315.10309	0.6
383.16516	0.6
397.18063	0.5
429.17096	0.7
519.29309	6.0
535.28925	5.5
813.51208	100.0
814.51672	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	814.5592
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03453	0.2
58.06357	0.2
58.06612	0.4
60.08168	5.7
67.05502	0.8
71.07375	4.0
79.05499	0.3
81.07073	0.3
83.05000	0.2
83.75565	0.2
86.09709	30.4
91.81860	0.2
93.07024	0.2
95.08607	0.5
98.98466	3.0
104.10748	3.0
107.08582	0.4
125.00009	19.8
184.07346	100.0
185.07693	0.7
253.37090	0.2
306.50964	0.2
456.23532	0.3
635.13861	0.2
674.43073	0.3
714.47015	1.2
796.54681	1.3
814.56000	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	814.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06634	0.4
59.86691	0.1
60.08165	6.3
65.57007	0.1
67.05513	0.3
70.06596	0.1
70.39954	0.1
71.07375	3.3
72.80815	0.1
81.07054	0.2
86.09708	29.7
91.05470	0.2
93.07046	0.4
94.80406	0.1
95.08644	0.2
98.98463	3.0
104.10746	2.3
105.07111	0.1
125.00008	19.8
143.01073	0.2
174.40257	0.1
184.07344	100.0
185.07707	0.5
518.32574	0.2
778.53796	10.0
779.53162	0.5
814.52319	0.1
816.99927	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	814.559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93147	0.4
60.08165	5.4
67.05487	0.5
69.64518	0.9
69.64924	2.2
69.74612	0.3
71.07375	3.8
72.74057	0.4
77.85516	0.4
79.05450	0.4
81.07043	1.0
86.09704	31.6
95.08611	0.8
98.98477	3.6
104.10751	3.0
106.58512	0.4
119.08508	0.6
125.00007	20.7
155.15410	0.4
167.07248	0.4
184.07339	100.0
185.07663	1.9
186.07811	0.5
231.46945	0.4
255.23160	0.6
313.27383	0.8
354.25665	0.4
521.38037	0.5
714.46466	1.1
796.54303	1.4
814.55304	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	816.5749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	0.2
58.06624	0.4
60.08171	6.5
67.05513	0.4
69.80223	0.9
71.07381	3.4
79.05469	0.2
81.50793	0.2
86.09712	28.4
87.10046	0.2
95.08607	0.3
98.98479	3.4
101.43845	0.2
104.10754	2.3
125.00015	20.3
134.01419	0.2
143.00960	0.2
184.07353	100.0
185.07709	0.9
186.07825	0.3
209.83389	0.2
313.27448	0.3
561.77405	0.2
695.93353	0.2
716.48444	1.0
762.39075	0.2
798.57043	1.2
816.57593	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	819.6218
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06599	0.4
60.08163	6.7
65.03915	0.3
67.05493	0.8
71.07380	1.9
71.53387	0.5
79.05476	0.5
85.69201	0.3
86.09708	28.2
93.07046	0.5
95.08611	0.5
98.98477	1.8
104.10758	2.4
105.07035	0.3
114.78985	0.3
122.31266	0.3
125.00009	17.4
184.07346	100.0
335.25949	0.3
389.10013	0.3
472.56693	0.3
500.31357	1.9
518.32452	20.3
712.62750	0.3
796.29913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.1
57.07082	6.7
60.08146	2.0
61.02901	0.9
63.62148	0.5
65.03934	1.6
66.37019	0.5
67.05505	35.0
69.03416	1.9
69.06728	0.8
69.07068	9.5
71.04987	1.4
71.07358	1.7
71.08633	5.4
79.05493	23.9
80.41913	0.5
81.03426	1.0
81.07054	34.0
83.04987	3.4
83.08152	0.7
83.08620	10.4
85.02889	0.7
85.06532	1.6
85.10178	3.6
86.09219	0.8
86.09708	9.6
89.06005	0.6
91.05481	22.2
93.07045	22.2
95.04961	3.0
95.08608	22.0
97.06529	2.2
97.10165	12.2
98.20715	0.9
98.98460	1.5
99.08111	0.8
103.05472	2.2
104.06240	1.7
104.10743	0.7
105.07027	9.5
107.04940	0.9
107.08597	15.6
109.06496	1.6
109.10155	14.9
111.08083	2.5
115.05475	1.3
117.07017	12.9
119.08581	100.0
120.08936	1.0
121.06506	0.9
121.10148	8.1
123.11726	3.1
125.00004	7.0
125.09626	9.2
128.06233	1.2
129.07007	3.4
131.08577	6.3
133.06485	2.1
133.10129	5.8
135.08061	6.2
135.11696	3.3
137.09596	1.5
137.13283	0.8
141.07002	0.6
142.07799	1.0
143.08548	2.4
144.05693	0.8
145.06485	2.0
145.10109	9.3
147.08055	6.7
147.11694	3.5
149.09615	1.9
149.13263	2.5
153.09122	0.7
154.07780	0.9
155.08566	1.5
157.06470	0.6
157.08725	0.8
157.10123	9.5
157.11342	0.9
159.08055	37.0
159.11670	5.2
160.11241	0.8
161.09596	2.3
161.13284	1.6
163.11211	1.2
163.14925	0.7
167.08559	1.0
167.42316	0.5
169.10127	8.0
171.10272	1.0
171.11700	2.3
173.09637	7.3
173.11742	1.7
173.13054	2.5
175.07549	1.2
175.11143	0.7
181.10124	0.8
183.11685	3.3
184.07336	34.4
185.09598	1.1
185.13286	1.3
187.11206	0.7
187.14827	1.2
189.11214	7.0
193.10168	0.5
195.11810	0.7
197.09650	0.6
197.13242	2.7
199.11179	0.6
199.14793	0.7
206.10881	0.7
207.11739	0.9
209.13260	1.2
211.11224	0.7
211.14862	1.5
223.14935	0.6
225.12727	0.9
225.16393	3.0
227.12758	12.4
229.14337	9.1
235.14816	1.4
237.16402	0.9
239.18091	0.6
243.17526	0.7
243.20815	0.6
245.13864	1.9
253.15868	4.2
255.17613	0.8
258.08929	1.0
259.20569	1.1
261.22159	2.5
269.17413	2.6
271.16931	13.6
275.20084	3.3
289.17953	7.2
313.27368	16.5
333.24246	0.6
335.25793	52.9
336.26038	1.1
345.20538	3.8
347.22244	1.4
349.23837	3.4
363.21646	18.8
363.26251	1.0
364.21930	0.9
367.24817	2.8
379.29861	2.9
382.68149	0.6
402.34784	0.5
453.34296	0.5
467.37274	6.6
505.35330	1.7
507.40485	8.2
515.24292	0.5
531.38324	0.9
587.46777	5.8
605.40924	1.6
605.48035	2.4
623.43005	61.8
624.43445	2.6
725.97961	0.6
761.45831	0.7
786.71381	0.5
820.55200	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	820.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07052	0.1
58.06574	1.0
59.07375	0.8
60.08165	5.7
67.05490	0.6
69.07068	0.2
70.06573	0.2
71.07378	3.1
71.13098	0.2
77.33414	0.2
79.05501	0.3
81.07043	0.4
86.09709	29.2
91.05473	0.2
93.07068	0.3
93.10319	0.1
95.08604	0.5
98.98466	2.6
104.10755	2.2
105.07018	0.2
107.08611	0.2
109.10157	0.3
119.08614	0.2
125.00008	18.6
133.10059	0.2
184.07344	100.0
185.07722	0.4
219.17479	0.5
222.08917	0.8
253.68571	0.1
282.11142	0.2
335.26007	0.4
340.35373	0.2
341.12778	0.2
354.13229	0.2
373.11484	0.2
483.03958	0.1
494.29465	0.2
496.34357	0.2
550.35144	0.5
609.44977	0.7
650.43951	7.1
651.44495	0.1
678.47009	0.5
722.45782	0.3
784.87769	0.2
820.53333	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	820.5929
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	26.6
69.18279	68.0
79.05482	10.9
81.07051	26.5
86.09709	35.5
93.07052	16.0
95.08607	20.6
97.05922	9.5
107.08603	9.6
119.08598	11.0
125.00016	22.1
135.11737	17.2
184.07350	100.0
244.68106	8.7
259.20422	7.9
261.22159	12.1
335.25839	74.1
350.41812	8.0
492.94086	8.2
527.98871	9.2
595.47034	21.5
613.48810	9.2
665.45172	9.3
665.56201	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	821.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
71.51125	0.9
81.65860	0.4
94.93011	5.8
112.89614	5.1
114.89340	10.1
119.95107	0.5
120.94566	0.7
120.96662	2.3
132.96587	0.6
136.94020	49.2
148.94032	15.7
149.89474	0.5
150.95724	0.5
150.97667	1.3
162.95493	0.5
164.56801	0.4
166.95093	20.1
178.95059	1.5
180.98703	0.6
189.24655	0.5
195.08209	0.6
196.96132	4.4
201.01695	0.5
208.96086	0.8
214.89439	5.3
214.99850	0.9
217.95485	0.6
236.06157	0.5
248.89581	1.3
256.90445	4.8
256.98264	5.1
286.91486	0.7
316.92593	2.4
337.88855	0.5
358.93301	0.6
381.07950	39.8
403.06064	1.2
405.06174	0.9
419.03519	100.0
420.03879	1.9
478.92133	1.0
478.98758	4.9
785.60193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	12.9
57.07066	3.5
60.08172	3.7
61.02914	1.6
61.03217	1.1
65.03937	5.8
67.05508	90.9
68.58326	1.0
69.03444	6.7
69.07073	25.6
71.04993	6.0
71.07380	2.4
71.08614	1.7
73.02914	1.7
73.06557	1.5
79.05497	66.6
81.03419	8.9
81.07061	91.9
83.04985	32.1
83.08627	11.6
85.02914	3.4
85.06535	6.8
86.09708	14.6
91.04899	2.0
91.05489	64.7
93.07050	70.8
95.04974	14.7
95.08611	60.7
97.02899	3.4
97.06538	6.2
97.10133	6.6
98.98499	1.8
99.04454	2.5
99.08112	2.5
103.05477	1.4
104.10772	1.6
105.04561	2.6
105.07035	54.9
107.04963	9.8
107.08604	49.7
109.06528	11.1
109.10161	50.3
111.04451	2.1
111.08064	4.4
113.06011	1.7
115.05446	2.2
117.07026	13.9
119.08585	31.5
121.06525	9.1
121.10146	22.9
122.61189	1.2
123.04468	1.6
123.08089	6.9
123.11722	11.3
125.00003	9.2
125.09639	4.0
127.03871	1.5
127.07565	2.8
128.06216	2.6
129.02129	1.0
129.07007	6.1
131.08585	21.3
133.06503	5.9
133.10135	60.7
135.08076	10.3
135.11694	15.9
137.09650	4.3
139.07578	1.7
141.06949	1.2
142.84070	1.1
143.08585	7.2
145.06587	1.4
145.10126	14.5
146.60730	1.2
147.08032	5.7
147.11707	10.1
149.09605	8.8
149.13274	6.6
151.11188	26.5
153.12842	1.4
155.08575	2.1
157.10126	6.3
159.08073	6.4
159.11700	10.7
161.09657	9.0
161.13286	5.3
163.11200	5.0
163.14842	2.4
165.09177	1.3
165.12737	1.3
169.10239	1.4
169.12253	3.7
171.11700	4.9
173.09662	2.3
173.13281	6.5
175.11230	5.6
175.14929	2.7
177.09171	3.3
183.11766	2.0
184.07352	61.4
185.07771	2.7
185.13301	3.7
187.14838	2.4
189.11249	1.5
189.12793	2.7
191.10748	1.3
195.11752	1.4
195.13750	1.4
197.11697	1.1
199.11302	1.4
199.14806	2.3
201.16347	2.1
205.60840	1.2
211.14899	1.5
215.12856	3.0
217.19588	1.7
223.13321	3.6
227.12894	1.6
243.21097	3.7
245.19077	7.5
251.12866	3.4
253.14352	77.3
254.14732	1.8
255.17439	4.0
259.20660	2.0
261.22137	13.2
263.20123	3.8
273.18515	37.2
275.20148	3.2
289.17984	2.4
291.19547	38.5
309.20630	3.7
317.24823	2.2
327.23038	1.4
335.25818	70.9
336.26242	1.7
337.27460	3.0
347.22180	12.9
349.23938	1.2
363.21594	2.5
365.23254	56.2
392.47116	1.1
417.30078	1.3
457.32956	1.9
503.37112	1.4
513.35791	4.7
531.36774	11.7
543.40540	1.6
607.43799	10.5
625.44647	100.0
626.44885	4.2
643.45618	3.3
688.45117	2.0
822.51611	1.4
823.50677	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	4.2
57.07077	1.4
62.22416	1.3
65.03928	3.1
67.05504	38.7
69.03419	1.7
69.07069	25.9
70.11756	5.4
71.04968	4.0
79.05496	41.1
81.03413	6.8
81.07056	53.7
83.04968	4.9
83.08629	8.2
85.06507	1.9
86.09679	3.3
91.05483	61.7
93.07047	45.1
95.01311	6.0
95.04958	10.2
95.08611	30.4
97.06529	16.3
97.10139	3.3
99.08090	2.2
100.19891	1.5
105.07033	83.4
107.04959	14.8
107.08595	24.4
107.43349	1.4
109.06488	4.6
109.10159	9.6
111.08074	2.0
115.05454	3.1
117.07030	16.7
119.08578	56.4
121.06503	2.4
121.10137	13.0
123.08046	3.2
123.11728	2.3
125.00012	1.5
125.09628	3.4
128.06227	1.9
129.05438	1.4
129.06998	9.5
131.08562	24.1
133.10135	42.2
135.08012	3.2
135.11705	11.2
137.09589	1.8
141.06989	2.0
143.08606	7.3
145.06467	2.5
145.10139	20.9
147.11691	26.5
149.09627	6.0
149.13237	5.4
151.11205	1.9
155.08545	2.2
157.10159	6.6
159.11687	16.6
161.13252	13.7
163.11224	2.7
163.14903	1.4
165.09109	2.2
169.08743	1.4
169.10123	3.8
171.11674	8.6
173.13249	6.3
175.14862	6.4
177.12675	2.8
179.14302	8.8
184.07367	7.4
185.13290	4.1
187.11157	2.4
187.14735	2.3
195.13812	1.4
197.13249	1.9
201.16331	1.6
211.14743	1.9
214.46017	1.3
215.17984	2.9
219.17390	6.8
231.20926	1.4
239.17908	1.8
241.19502	14.5
247.20476	1.7
257.18997	5.5
259.20566	25.6
275.20059	51.6
279.20645	1.4
286.46240	1.5
293.21008	1.9
313.21613	1.5
315.23053	11.2
330.49582	1.3
333.24228	52.4
349.23700	41.6
350.41696	1.5
435.59991	1.5
513.35834	2.8
515.38788	1.6
527.36786	1.4
607.43524	100.0
625.44739	13.4
637.43481	1.5
822.45782	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	2.6
65.03933	3.4
67.05507	47.2
69.06725	1.4
69.07074	18.8
71.04997	2.6
73.02906	0.9
77.03918	1.5
79.05495	42.6
81.03396	1.7
81.07060	40.9
82.20596	0.8
83.04987	2.3
83.08627	9.1
85.02903	4.1
85.06549	2.3
89.59709	1.0
91.03956	1.1
91.05483	45.4
93.07045	48.3
95.04969	5.0
95.08609	33.2
97.02906	2.6
97.06539	2.8
97.10168	4.1
98.20711	2.1
103.05457	2.1
105.04504	2.2
105.07032	45.9
107.04950	2.5
107.08604	22.1
109.06521	2.0
109.10163	14.6
110.09689	0.9
110.10531	1.0
111.08065	2.2
115.05440	3.0
116.06282	1.2
117.07020	22.4
119.08583	38.0
121.06504	2.0
121.10141	16.0
123.08065	1.9
123.11708	3.4
125.09673	1.7
128.06213	3.7
129.07019	17.3
130.07831	1.3
131.08571	25.4
133.10133	25.0
135.08029	1.4
135.11688	12.3
137.09622	1.4
137.13274	1.4
141.07014	6.1
142.07779	4.1
143.08578	16.4
145.10127	24.3
147.11673	15.0
149.09659	2.0
149.13234	5.6
152.41508	0.9
153.07025	1.3
154.07707	1.6
155.08574	11.4
156.09354	1.5
157.10144	16.9
159.11703	20.5
161.13263	7.1
163.14859	1.5
165.07008	1.7
167.08545	4.6
168.09262	1.7
169.10133	12.3
171.11676	15.2
173.13272	10.8
175.14838	6.0
179.08542	1.5
181.10121	7.9
182.10873	1.4
183.11717	13.7
184.07330	2.3
185.13274	10.8
187.14879	4.4
189.16406	1.3
193.10141	3.4
195.11690	8.2
197.13316	8.0
199.14830	7.2
201.16322	2.8
203.17865	0.9
205.10216	1.2
207.11754	1.6
209.13333	5.2
211.14839	6.4
213.16406	3.0
215.17966	2.0
221.13336	2.4
223.14821	4.6
225.16376	3.9
227.18054	1.4
229.19434	1.4
229.46306	0.9
235.14848	2.1
237.16382	5.4
239.18086	4.4
241.19522	3.5
249.16406	1.5
251.17929	2.4
253.19647	1.0
255.17303	1.2
257.19049	5.7
259.20496	5.0
261.22031	1.5
263.17926	1.1
265.19550	1.8
267.21204	0.9
275.20120	1.4
277.19476	1.3
279.20898	1.2
283.20505	1.5
291.20721	1.0
297.22107	1.4
299.23764	1.1
315.23059	1.2
321.22189	1.4
325.25211	1.6
331.22974	2.4
332.86926	0.9
333.24271	6.5
335.25800	3.1
337.25217	1.5
339.26709	1.2
347.23666	1.0
349.24963	1.5
351.26752	2.1
353.24548	1.3
365.24463	1.7
365.28351	2.0
391.29688	1.8
393.31909	1.4
399.91934	1.0
407.29062	1.7
419.33517	1.2
421.30679	1.7
434.64706	0.9
435.32608	1.2
447.32617	3.3
461.33463	1.3
473.32214	1.3
481.33832	1.4
487.33942	1.8
499.33505	1.2
499.39691	1.2
501.35654	1.8
513.36041	1.4
515.37054	1.6
517.40454	11.8
525.35297	1.4
527.37549	1.1
535.41443	5.8
539.36969	1.8
540.37994	1.5
573.43243	1.1
591.44153	10.6
609.45135	100.0
610.46039	5.3
633.45111	1.2
675.45673	1.1
735.48126	1.5
753.48578	1.6
771.49884	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	1.7
65.03941	4.4
67.05507	90.0
69.03433	8.9
69.07074	26.0
71.05004	5.3
71.08641	1.1
71.23146	2.0
73.02916	1.2
79.05496	68.8
81.03429	5.1
81.07058	82.0
83.04998	7.3
83.08619	17.5
85.02910	3.9
85.06552	5.2
86.09731	1.1
91.03947	1.5
91.04905	2.3
91.05483	55.7
93.07048	70.7
95.04975	13.2
95.08612	59.3
97.02896	5.0
97.06533	9.1
97.10172	12.4
99.04458	1.3
99.08091	3.3
103.05477	2.4
105.04524	1.9
105.06316	2.3
105.07032	46.2
107.04960	4.6
107.08598	42.5
109.06505	7.0
109.10161	26.6
111.04434	1.4
111.08096	5.2
111.11789	1.5
113.09679	1.1
115.05455	1.2
117.07016	19.7
119.08587	33.5
121.06532	3.8
121.10150	29.2
123.08067	4.1
123.11707	5.8
125.09630	7.2
127.03940	2.5
128.06230	2.3
129.05504	1.9
129.06992	8.5
130.07831	1.3
131.07610	1.8
131.08575	27.3
133.06519	1.9
133.10136	24.8
135.08081	4.3
135.11700	17.2
137.09625	3.3
141.06984	2.8
142.07848	1.6
143.08566	8.3
145.06499	1.2
145.10135	21.9
147.07999	2.1
147.11690	15.8
149.09663	7.7
149.13266	7.6
151.11186	1.3
155.08572	3.2
157.10129	8.0
159.11702	16.8
161.09566	1.5
161.13281	8.6
163.11177	5.5
163.14857	3.1
165.12755	2.0
169.10127	3.2
171.10306	1.8
171.11719	5.0
173.09613	1.1
173.13271	10.2
175.11185	1.2
175.14830	2.9
177.12798	2.8
179.14374	2.0
183.11726	4.5
184.07352	3.0
185.11732	1.7
185.13228	8.9
187.11218	1.9
187.14833	3.9
189.11230	4.5
189.12711	1.2
189.16440	1.2
195.13919	1.3
197.13303	2.7
199.14804	2.5
201.16374	2.8
203.14362	2.3
215.17940	1.2
217.15822	1.7
219.17458	4.1
223.13318	3.0
227.12744	9.0
229.14395	4.4
239.18011	5.8
243.21100	2.1
255.15862	1.7
257.19040	12.8
259.20633	4.0
261.22162	11.8
267.15948	2.2
269.17474	6.3
275.20074	36.6
293.21057	7.4
309.20645	2.0
317.24741	2.2
320.05676	1.0
331.22678	3.3
333.24258	2.9
335.25815	100.0
336.26239	1.8
349.23767	30.6
351.25354	1.7
367.24847	6.4
373.18744	1.5
463.35117	1.2
489.35834	7.9
505.35123	2.9
515.37360	7.5
529.38934	11.8
553.41803	1.1
555.40613	2.0
569.42371	5.8
609.45166	47.2
610.45087	2.1
627.46136	15.0
641.43811	2.1
765.43091	1.7
824.49518	1.6
825.46289	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	824.5518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	0.8
61.02916	1.9
65.03931	3.5
67.05508	78.8
69.03429	4.8
69.07071	20.8
70.22516	0.8
70.69954	1.6
70.70327	1.5
71.04994	4.8
73.02911	1.6
76.98916	0.7
79.05495	54.5
81.03424	8.3
81.07059	70.8
83.04990	8.6
83.08619	11.2
85.02904	4.1
85.06526	2.9
86.09698	2.1
91.03960	1.1
91.05488	37.8
93.07049	58.6
95.04972	7.4
95.08611	44.8
97.02904	4.4
97.06536	9.7
97.10172	4.2
98.76328	0.8
99.04449	1.8
99.08085	3.1
105.04533	1.2
105.07038	27.5
107.04981	4.6
107.07877	1.8
107.08596	33.6
109.02898	1.5
109.06518	4.3
109.10159	24.3
111.04411	1.4
111.08110	4.2
115.05468	1.6
117.07021	13.6
119.08585	26.8
121.06490	2.9
121.10150	24.1
123.08045	2.6
123.11739	5.1
125.09631	3.2
127.03914	3.0
128.06223	1.0
129.05476	0.8
129.06995	3.8
131.08575	20.1
133.10136	17.2
135.08060	3.2
135.11697	16.4
137.09618	2.7
137.13226	1.3
139.11198	1.4
141.06975	2.0
141.10553	0.9
143.08571	4.3
145.09084	1.1
145.10149	12.4
147.08081	1.5
147.11671	10.5
149.09654	5.6
149.13251	9.7
155.08534	2.2
155.10597	1.4
157.10152	5.6
159.11705	12.1
161.13217	5.5
163.11139	4.2
163.14812	2.6
165.12727	1.4
169.10110	2.6
171.11630	4.5
173.04462	2.2
173.11842	1.3
173.13271	6.9
175.11116	1.2
175.14815	2.7
177.12758	2.0
179.14258	2.2
181.12288	1.1
183.11707	2.0
184.07387	5.5
185.13268	3.0
187.14841	2.4
189.11206	1.6
195.13803	3.1
197.13251	1.8
199.14787	2.0
201.12862	0.9
201.16521	1.4
203.14325	1.3
217.15855	2.3
219.17368	1.4
227.12711	3.8
229.14362	8.3
229.19460	1.6
239.17868	2.7
243.21118	2.9
255.15924	5.6
257.18997	7.8
259.20508	2.0
261.22156	8.9
269.17465	14.5
273.18347	0.9
275.20071	20.3
291.19659	1.3
293.21033	1.8
299.20264	1.4
309.20587	4.4
317.24713	2.8
331.22675	2.3
333.24234	1.9
335.25806	100.0
336.26166	1.8
349.23715	19.9
351.25809	0.9
367.24841	2.9
400.19421	1.0
407.70346	1.0
413.21695	1.2
444.88809	0.9
489.35825	7.5
515.30219	1.5
515.37286	15.1
529.38892	43.6
530.39392	1.6
543.40961	1.9
569.41998	12.3
609.45172	23.9
627.46027	7.3
673.42560	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	826.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	2.2
61.02927	8.6
65.03939	0.6
67.05506	47.8
69.03423	1.6
69.07068	4.9
69.48120	0.7
69.48529	1.7
71.04992	2.1
71.08633	13.4
73.02927	3.0
79.05504	1.0
81.03405	0.6
81.07059	12.2
83.04996	0.3
83.08624	8.3
83.58533	0.3
83.72016	0.3
84.03713	0.3
85.02910	10.6
85.06554	1.1
85.10185	8.6
86.09705	0.5
89.06041	0.8
91.03961	7.3
91.05482	3.0
93.07051	2.9
95.08610	13.2
96.04533	0.5
97.02892	5.5
97.03515	0.3
97.10192	2.4
99.04446	0.4
99.08079	0.6
99.11746	0.6
103.03952	0.4
103.07587	0.9
105.07049	0.5
107.08620	0.8
109.02902	0.6
109.10161	54.9
111.08082	2.2
111.11742	0.5
115.03918	0.5
119.08581	4.3
121.10172	0.5
123.11714	1.7
125.09588	0.5
127.03906	2.1
127.11230	0.3
131.08624	0.4
131.25641	0.3
137.09639	2.4
137.13275	0.6
145.03883	0.5
145.04947	3.5
151.14812	0.4
153.04561	0.3
155.10681	6.8
155.11922	0.5
162.26814	0.3
163.06000	4.2
165.16362	0.4
173.11749	13.9
180.08591	0.3
184.07352	1.2
229.14359	100.0
230.14661	1.2
239.23701	1.8
257.24750	1.5
278.96927	0.3
313.27371	76.3
314.27893	1.5
373.18411	0.4
467.37350	64.6
468.37747	1.6
611.46130	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	2.5
60.08171	2.5
61.02650	0.8
61.02930	9.9
65.03941	0.9
67.05508	57.7
69.03433	2.1
69.07074	6.1
71.04987	2.8
71.07365	1.8
71.08636	18.1
73.02914	3.1
75.04455	0.6
79.05488	2.6
81.03429	1.1
81.07065	15.9
83.04977	0.6
83.08627	10.4
85.02910	11.1
85.06541	1.8
85.10191	10.4
86.09715	13.6
87.04490	0.8
89.06036	1.2
91.03961	7.3
91.05480	3.7
93.07053	2.9
95.08613	15.7
97.02890	6.0
97.06516	0.6
97.10168	3.9
98.98468	1.1
99.04430	0.6
99.08102	0.8
103.07557	0.5
104.10725	1.3
104.45905	0.4
105.06981	0.6
107.08589	1.6
107.68656	0.5
109.10162	64.1
110.10506	0.7
111.08077	3.0
111.11745	1.5
111.54132	0.5
113.06064	0.9
119.08614	5.1
119.51223	0.5
121.10149	0.9
123.11699	2.8
125.00016	8.9
127.03918	2.7
137.09610	2.8
137.13293	1.3
145.04948	2.7
151.14786	0.6
154.84134	0.5
155.10684	5.5
163.06012	3.8
173.11743	14.8
173.13199	1.0
184.07350	41.5
210.47209	0.5
229.14362	83.2
230.14822	1.0
239.23734	2.1
257.24725	1.8
313.27377	82.1
314.27698	1.4
367.32941	0.5
373.18652	0.8
467.37363	100.0
468.37604	2.5
673.64709	0.6
808.50018	0.8
826.51208	4.6
827.48895	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	826.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	8.1
64.86290	2.8
65.03919	3.1
65.32807	2.8
66.19914	3.1
67.05505	100.0
69.03419	13.3
69.07068	32.0
71.04984	5.5
71.07367	4.5
71.08620	10.1
71.53549	4.2
73.02906	3.8
74.64629	2.6
78.52230	2.6
79.05490	60.6
80.24424	2.6
81.03416	12.1
81.06602	5.2
81.07060	94.9
82.72715	3.4
83.04975	8.9
83.08616	26.4
85.02891	4.5
85.06532	4.6
85.10194	4.0
86.09711	42.5
89.52330	2.9
91.05481	42.1
93.07041	62.3
94.07347	3.2
95.04958	13.2
95.08605	64.1
97.02875	4.9
97.06518	9.6
97.10165	13.9
98.98492	5.4
99.08070	7.3
105.04536	2.8
105.07026	35.4
107.08595	39.3
109.06488	5.5
109.10153	35.8
111.08081	4.6
117.06978	11.9
119.08593	27.9
121.06515	2.9
121.10147	27.7
123.11669	8.0
125.00008	21.8
125.09620	5.8
127.03869	3.5
129.06995	4.1
131.08560	20.2
133.10130	26.9
135.11700	15.7
137.09639	5.0
139.11215	3.2
143.08511	7.9
145.10114	18.9
147.11693	14.5
149.09576	4.4
149.13255	12.1
151.11147	5.0
157.10107	5.2
159.11703	11.3
161.13271	7.9
163.11156	4.4
173.11685	2.9
173.13213	5.7
179.14319	4.0
184.07338	99.7
185.13214	5.8
189.11172	4.4
195.13718	5.1
195.38113	3.1
214.16724	2.8
227.12822	9.7
229.14301	8.3
243.21068	4.0
257.19083	5.7
259.20724	4.4
261.22159	6.0
269.17484	35.6
275.20056	15.0
277.21500	8.4
293.21249	6.9
294.21594	4.1
311.25824	20.0
335.25845	51.5
336.26208	6.6
337.27356	32.0
349.23694	18.5
349.27625	3.3
351.25214	11.8
485.75616	2.9
489.35757	5.6
491.37567	6.8
529.38983	56.4
531.40234	5.6
549.26129	3.1
611.46631	36.6
629.46875	10.6
767.42694	12.3
826.49799	11.6
827.49377	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08163	0.7
60.70818	0.4
61.02932	3.7
67.05509	6.2
67.30395	0.4
69.03435	2.6
69.07071	2.9
71.05005	0.5
71.07407	0.7
71.08652	1.0
71.34321	0.4
71.54030	0.6
73.02921	2.4
79.05497	3.3
81.03441	1.6
81.07058	4.0
82.48515	0.4
83.08640	0.7
83.63132	0.4
85.02898	3.5
85.30481	0.5
86.09698	2.2
91.03977	2.4
91.05490	4.0
93.07040	4.1
95.04990	1.0
95.08624	3.1
97.02902	3.0
97.06555	0.8
98.98483	0.5
99.04482	0.8
101.02401	1.5
105.07021	3.7
107.04973	1.0
107.08628	2.0
109.10145	3.5
111.08069	0.5
117.07038	1.4
119.08566	2.1
121.10160	1.2
125.00044	1.6
127.03938	1.5
129.49156	0.5
131.08609	1.1
131.20752	0.5
133.10170	2.6
135.08112	0.5
135.11748	0.9
143.08549	0.5
145.10150	1.4
147.11732	1.4
149.09624	0.6
159.11714	0.7
161.13385	0.5
169.10378	0.5
173.11778	1.0
179.14384	0.6
184.07344	5.8
185.04329	0.7
185.07777	0.9
185.85268	0.6
225.31491	0.4
229.14351	4.4
230.14725	1.4
243.08505	3.6
259.20633	0.6
301.08911	0.9
313.27271	2.4
314.27704	2.6
315.10733	0.7
315.19376	4.2
334.72430	0.5
357.89362	0.5
366.40897	0.5
367.20892	0.5
371.22037	1.0
397.18179	0.7
465.21017	0.9
467.37711	2.0
468.37805	3.0
495.22021	0.7
533.27271	7.8
535.28772	5.5
605.29504	1.1
827.49194	100.0
828.49280	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.2
67.05508	8.1
69.03432	2.1
69.07069	2.9
70.77135	2.7
73.02927	2.6
79.05506	4.4
81.03445	1.5
81.07066	8.5
82.07397	1.5
85.02912	4.5
86.09719	3.0
91.03976	3.5
91.05501	4.4
93.07069	6.0
95.05018	1.8
95.08614	4.1
97.02905	4.1
105.07047	3.2
107.08624	3.1
109.06564	1.4
109.10207	3.7
112.68835	1.0
113.06060	1.7
115.01276	0.9
115.47276	1.0
117.07090	1.4
119.08662	2.8
125.00025	2.5
127.03934	1.5
133.10127	1.5
135.11783	1.4
184.07336	9.8
229.14369	1.7
243.08427	2.5
331.18884	6.2
335.25928	1.5
335.95435	1.0
507.75586	1.0
519.29382	5.7
549.26947	3.4
561.57434	1.1
612.46271	1.8
762.11536	1.2
827.49231	100.0
828.49451	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	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.1
64.10999	0.5
65.03922	1.2
67.05504	16.8
68.05840	1.6
69.03426	4.0
69.07071	7.3
69.19800	0.7
69.20193	6.0
71.01385	0.9
71.04990	1.8
71.08627	1.2
73.02915	3.9
73.81790	0.6
75.20896	0.6
79.05494	11.6
80.05833	0.8
81.03420	1.7
81.07060	17.9
82.07386	1.7
83.04987	2.5
83.08601	3.8
85.02914	5.2
85.06557	0.8
86.09716	4.1
91.03961	2.0
91.05479	8.7
92.05842	0.9
93.07043	11.9
94.07387	2.1
95.04991	1.8
95.08609	11.2
96.08948	1.2
97.02886	6.7
97.06548	1.2
97.10175	1.8
98.79222	0.6
99.04460	1.1
99.08102	1.4
101.02382	1.4
105.07037	6.3
106.07348	1.3
107.08591	6.9
108.08942	0.9
109.02897	1.1
109.06593	0.9
109.10156	6.1
111.08078	1.1
117.07055	2.6
119.08571	3.8
121.10151	4.7
123.08092	1.1
123.11744	1.8
125.00036	2.5
127.03960	1.8
129.07042	0.8
131.08546	3.0
133.10150	5.3
135.08017	0.7
135.11726	2.5
143.08664	0.9
145.10120	3.0
147.11717	1.3
149.09647	1.1
149.13275	1.5
151.11186	1.6
159.11739	2.8
161.13249	1.0
173.13342	1.2
175.11230	0.6
182.18437	0.7
184.07356	9.8
185.04253	0.9
185.07681	1.1
185.13376	0.8
227.12708	0.7
229.14435	0.9
243.08446	3.2
261.22260	1.0
269.17590	2.7
270.17859	1.1
277.21848	0.6
331.18677	3.1
335.25864	4.9
336.26208	3.5
337.27368	1.8
338.27792	2.5
349.23923	0.9
351.25439	1.1
352.25818	0.9
451.19635	0.8
519.29321	4.2
529.39081	2.8
530.39209	6.2
549.26587	5.0
611.46582	1.0
612.47687	3.0
630.48254	0.8
809.47998	1.5
827.49152	100.0
828.49695	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	0.3
61.02929	5.6
63.94221	0.3
65.03959	0.3
67.05508	5.8
69.03434	3.3
69.07060	1.8
71.01350	0.6
71.04998	0.8
72.11018	0.3
73.02921	4.4
79.05497	4.5
79.05920	0.4
79.27605	0.3
79.52263	0.2
81.03433	1.8
81.07063	5.7
83.04984	0.4
83.08626	0.9
85.02904	5.7
86.09711	1.5
87.04478	0.4
89.43311	0.3
91.03947	3.4
91.05478	2.7
93.07050	4.9
95.04991	0.8
95.08612	3.7
97.02897	4.7
97.06556	0.4
97.10164	0.4
99.04465	0.6
101.02399	1.7
103.03925	0.3
104.10755	0.3
105.04577	0.4
105.07012	1.5
107.08580	2.0
109.02902	0.6
109.10153	1.3
115.03954	0.3
117.07040	0.8
119.08566	1.5
121.10129	1.6
123.11720	0.4
125.00031	0.9
127.03908	1.4
129.07002	0.4
131.08604	0.9
133.10175	0.9
135.11739	0.9
145.04893	0.3
145.10133	0.7
147.11723	0.7
149.13268	0.5
157.10120	0.3
159.11720	0.7
161.13271	0.6
171.11755	0.3
173.13438	0.3
179.14484	0.3
184.07338	2.8
185.04256	0.7
203.05293	0.6
212.68083	0.2
243.08420	2.3
279.31384	0.2
333.20410	2.4
335.25949	0.7
336.25711	0.3
389.23151	0.4
439.19507	0.6
465.21140	0.5
466.94119	0.3
469.20871	0.3
519.29315	8.2
551.28217	2.9
743.42682	0.5
809.19177	0.3
829.50696	100.0
830.51019	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36634	0.5
61.02936	4.9
65.03946	0.6
67.05506	6.5
69.03428	2.2
69.07070	1.5
69.21072	4.0
69.21479	1.3
71.04999	0.6
73.02924	4.2
79.05496	4.2
81.03425	1.9
81.07057	6.4
83.04997	0.9
83.08643	0.6
85.02912	5.4
91.03973	3.4
91.05497	3.3
93.07033	4.2
95.04971	0.8
95.08619	3.9
97.02888	4.4
98.21527	1.1
99.04456	1.4
101.02420	2.0
103.03876	0.5
105.07050	1.5
107.08570	2.5
109.02911	1.0
109.10164	1.6
119.08623	1.1
121.10186	0.8
123.08096	0.5
123.11700	0.7
127.03949	1.4
131.08589	1.1
133.10118	0.7
135.11687	0.9
145.10204	0.9
147.11708	0.6
149.13309	1.2
159.11720	0.7
166.58664	0.5
184.07379	1.6
185.98827	0.5
196.09012	0.5
243.08417	2.5
306.10916	0.5
333.20395	3.8
335.25815	1.1
389.23016	0.7
439.19214	0.6
519.29425	7.5
523.37323	0.6
551.28156	3.3
610.81665	0.5
622.29584	0.6
673.14478	0.6
829.50714	100.0
830.50812	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	0.7
61.02930	4.7
65.03970	0.3
67.05505	4.4
69.03423	2.2
69.07088	1.9
69.48218	1.1
69.48641	0.7
71.01362	0.5
71.04984	0.4
71.07401	0.4
73.02917	3.3
79.05495	5.1
79.05920	0.5
81.03396	1.5
81.07055	4.9
83.05010	0.4
83.08630	0.5
85.02905	4.6
86.09711	2.6
91.03953	2.4
91.05479	4.5
93.07045	5.9
95.05004	0.8
95.08606	3.7
97.02885	3.9
97.06569	0.5
97.10175	0.3
98.20848	0.6
98.98462	0.4
99.04466	0.9
101.02354	2.1
103.05464	0.4
105.07037	3.8
107.08607	2.9
109.02891	0.6
109.06545	0.5
109.10193	0.9
115.04010	0.3
116.78201	0.4
117.07041	1.2
119.08569	3.1
121.10158	2.0
125.00007	2.0
127.03893	1.4
129.05496	0.6
129.07018	0.6
131.08577	1.4
133.10133	2.1
135.11708	1.2
136.72449	0.3
137.09734	0.3
143.08617	0.3
145.10170	1.1
147.11670	1.6
149.09692	0.5
149.13335	0.7
157.04863	0.3
157.10194	0.5
159.11795	1.0
161.13298	0.9
163.14886	0.4
171.11765	0.8
173.13312	0.5
175.14864	0.4
184.07350	8.9
185.04333	1.3
185.07747	1.1
185.13356	0.5
201.03810	0.7
203.05307	0.6
231.13391	0.3
243.08408	3.9
259.20746	0.8
288.35385	0.3
301.08887	1.7
315.10577	1.1
317.20990	1.3
333.24249	0.5
355.13644	0.4
373.10846	0.4
373.23624	0.5
383.16675	0.4
385.18472	0.8
397.18457	0.7
403.85052	0.3
427.37592	0.3
437.21454	0.4
440.14389	0.3
465.21100	2.4
466.89267	0.3
467.22968	0.5
495.21957	0.7
517.28192	0.4
525.22980	2.1
535.28845	15.4
607.30743	1.8
621.31927	0.4
635.34229	0.7
759.42841	0.4
829.50714	100.0
830.51093	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	830.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06641	0.4
60.08168	6.0
67.05489	0.3
68.63565	0.1
69.53312	0.6
69.53718	0.3
70.33248	0.1
71.07381	3.3
71.59985	0.1
79.05487	0.2
80.97446	0.1
81.07039	0.3
86.09711	30.4
87.10044	0.2
93.07066	0.2
95.08621	0.2
98.98479	2.5
104.10748	3.2
109.10152	0.2
125.00015	21.1
133.62956	0.1
184.07350	100.0
185.07672	0.6
186.38400	0.1
201.18195	0.2
227.20018	0.4
250.44905	0.1
286.21701	0.2
304.64673	0.1
335.25903	0.2
361.40030	0.2
672.41803	0.3
712.45575	1.7
769.60468	0.2
776.51794	0.2
794.38782	0.2
794.53027	2.0
812.54333	4.8
830.54578	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	3.5
61.02926	8.2
67.05514	5.0
69.03417	3.6
69.07047	0.9
71.01350	1.5
71.04995	0.9
71.07384	2.2
71.08631	1.4
71.53580	0.9
71.82159	1.1
73.02930	4.8
81.03429	2.1
81.07047	1.7
83.08652	1.2
85.02917	8.3
85.10153	1.8
86.09710	14.5
87.10040	1.8
91.03965	5.7
91.04445	0.9
95.08602	2.7
97.02883	7.7
98.98431	1.0
99.04430	1.5
101.02382	2.7
104.10741	1.8
109.02926	1.2
109.10148	3.7
114.00761	0.8
125.00024	11.4
127.03895	2.3
145.04988	0.9
148.26418	0.8
173.11745	1.1
180.60014	0.8
184.07349	45.6
185.07661	5.3
203.05318	1.2
217.51122	0.9
229.14276	0.9
243.08484	2.2
313.27295	1.4
347.09531	2.8
383.25757	0.9
405.13766	6.4
413.17792	8.4
497.30942	9.1
553.31006	0.9
575.23273	9.2
659.35822	8.5
659.45233	1.4
669.41901	4.4
831.47009	100.0
832.47284	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	831.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.8
67.05508	5.8
69.03435	3.6
70.40456	0.5
71.04997	0.7
71.08632	1.7
71.52654	1.1
71.53056	0.7
73.02922	3.9
81.03419	2.2
81.07051	2.7
82.16752	0.7
83.08617	1.2
85.02912	7.4
85.10201	0.9
86.09735	2.8
91.03957	3.8
95.08604	2.0
97.02903	7.0
99.04456	1.2
101.02402	2.8
103.62991	0.5
109.02909	1.3
109.10171	4.8
111.08154	0.6
125.00011	1.8
127.03928	2.4
129.05453	0.6
137.09543	0.5
141.59489	0.5
155.10641	0.9
171.09795	0.5
173.11809	1.9
182.33075	0.5
184.07339	7.5
185.04225	1.0
229.14458	1.3
243.08490	2.9
313.27362	1.0
347.09396	3.6
363.08939	0.7
365.10583	1.3
396.19724	0.6
405.13660	7.7
406.67651	0.6
413.17819	12.5
497.30725	6.3
535.29034	0.7
575.23242	13.1
647.47925	0.9
659.36029	7.2
669.41687	4.5
772.48108	1.5
812.87646	0.6
831.47021	100.0
832.47742	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	838.531
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.3
65.03931	4.1
67.05511	64.6
69.03438	12.2
69.07076	52.0
71.04977	5.5
71.52557	2.4
77.03921	2.3
79.05501	60.1
81.03423	12.7
81.06596	3.4
81.07063	66.0
81.26617	1.7
83.04980	10.8
83.08629	19.9
85.02890	1.8
85.06535	4.5
86.09698	4.5
87.04469	9.8
87.38044	1.7
90.20438	1.9
91.05485	73.0
93.07053	62.3
95.01276	2.8
95.04990	15.7
95.08615	40.7
97.02889	8.1
97.06532	12.7
97.10188	19.3
99.08107	2.3
103.05457	2.5
105.07036	70.8
107.04974	14.5
107.08610	42.9
109.06521	8.1
109.10165	20.5
111.04453	1.9
111.08086	3.6
115.05425	3.2
117.07016	25.6
119.08590	60.6
121.06490	4.9
121.10157	22.5
123.08069	5.8
123.11662	3.9
125.00010	2.6
125.09653	14.4
128.06227	2.8
129.06981	14.3
131.08588	32.3
133.06491	3.9
133.10136	43.4
134.09665	1.9
135.08057	7.4
135.11710	16.8
136.06204	18.4
137.09583	5.7
141.07028	3.7
143.08592	16.6
145.10124	22.5
147.08035	8.7
147.11694	25.7
149.09607	7.7
149.13251	11.1
151.11200	3.8
153.09119	2.6
155.08571	4.0
157.10159	14.1
159.11717	19.4
159.99033	2.3
160.11259	9.2
161.09659	4.9
161.13266	21.3
163.11195	5.7
165.09091	2.2
167.08647	2.8
169.10117	5.1
171.10382	2.0
171.11690	11.8
173.13310	7.6
175.11220	3.5
175.14769	11.2
177.12766	2.9
179.14323	3.0
181.10187	2.3
183.11656	6.7
184.07370	15.9
185.13219	10.2
187.14775	4.5
189.11218	10.2
189.12825	3.7
195.11760	4.0
197.13251	2.5
197.41388	2.0
199.14882	4.8
203.14291	2.1
213.16347	4.2
219.17511	5.6
223.13197	11.9
227.12701	12.0
231.21089	3.0
239.17946	4.4
241.19522	19.4
249.14868	5.1
257.18970	5.5
258.08948	16.8
259.20590	39.6
267.15793	2.7
269.17587	5.5
273.18491	11.8
275.20135	25.9
289.17984	3.0
291.19565	100.0
299.23560	2.5
315.23212	6.3
329.03625	2.2
333.24255	48.8
335.25916	5.2
344.58383	1.9
349.23779	17.4
365.23264	43.5
367.36359	1.9
379.29993	4.2
525.35815	11.9
529.35345	12.0
531.38153	3.6
543.36884	41.3
549.38660	3.7
605.42126	9.8
623.43073	70.3
641.43994	13.9
655.78833	2.4
750.77094	2.4
777.14508	2.6
838.51324	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05006	1.9
65.03937	2.5
67.05505	67.5
69.03419	12.3
69.07070	40.7
71.04977	3.3
73.02925	1.5
77.03900	1.4
79.05495	67.2
81.03423	9.6
81.06596	3.3
81.07059	55.6
83.04987	7.6
83.08205	2.2
83.08618	18.9
84.08151	2.2
85.02911	3.1
85.06569	2.1
86.09690	2.4
87.04459	5.7
91.05484	66.3
93.07047	63.5
95.01334	2.3
95.04952	10.0
95.08608	42.0
97.02909	9.9
97.06523	6.8
97.10165	24.2
98.20774	4.9
99.08064	1.9
100.37568	1.5
105.04527	3.3
105.07031	66.0
107.04950	11.8
107.08595	42.0
109.05885	1.3
109.06503	8.0
109.10157	20.6
111.04423	1.7
111.08071	4.7
113.09698	1.4
115.05462	3.8
117.07020	26.7
119.04952	1.9
119.08584	52.4
119.30023	1.4
121.06492	6.2
121.09336	1.8
121.10147	22.0
123.08074	5.8
123.11705	3.7
124.99976	2.0
125.09634	18.7
128.06264	3.0
129.07008	17.7
130.07776	2.0
131.08574	33.3
133.06526	3.5
133.10126	42.2
134.07269	2.2
135.08081	7.8
135.11696	16.2
136.06203	9.8
137.09627	4.2
139.07533	1.6
141.06967	4.8
142.07788	2.6
143.08572	14.9
145.06433	2.4
145.10129	27.0
147.08043	7.3
147.11691	29.1
149.09615	5.3
149.13257	9.2
151.11154	1.5
153.07002	1.5
153.09154	3.1
155.08543	5.3
156.09175	1.8
157.10115	12.5
159.08022	3.4
159.11693	23.1
161.09641	3.6
161.13254	21.5
163.11136	2.2
163.14818	3.0
169.10098	7.1
171.08127	1.5
171.10229	2.5
171.11653	14.1
173.13248	11.0
175.11143	3.9
175.14847	8.0
177.12758	3.1
179.14333	1.6
181.10138	3.0
183.11696	6.2
184.07370	9.8
185.13287	11.8
187.14795	5.4
189.11234	10.0
191.10727	1.8
193.12181	2.7
195.11691	3.6
195.13861	2.2
197.13226	5.0
199.14803	6.8
205.12086	1.5
207.11642	1.5
209.13257	3.4
211.11078	1.4
213.16394	3.3
213.57239	1.6
219.85776	1.5
223.13249	21.3
227.12720	12.4
227.18010	1.8
231.21100	3.6
236.71944	1.7
239.17944	4.6
241.19525	23.1
249.14830	3.2
257.18927	6.2
259.20587	49.6
273.18466	10.7
275.20035	4.2
287.22931	2.0
289.17975	3.0
291.19531	100.0
297.22241	1.9
315.23264	9.4
333.24225	64.6
335.25827	8.5
349.23672	3.8
365.23248	45.9
379.29865	4.4
381.22623	3.8
419.29514	1.9
451.32162	2.0
511.33603	3.2
513.36334	2.5
525.35846	12.2
529.34924	3.7
531.38184	2.6
543.36993	12.8
549.38928	2.4
605.42059	10.9
623.43048	71.6
624.43414	2.0
641.44183	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	838.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	2.3
65.03933	5.9
67.05507	84.8
69.03432	8.5
69.07069	30.1
69.24645	5.8
69.25069	8.8
71.04988	7.3
77.03940	2.2
79.05497	67.3
81.03408	8.0
81.07063	80.3
83.04994	15.0
83.08617	13.5
85.02912	2.9
85.06539	7.3
86.09679	2.3
87.04475	4.4
91.05483	100.0
93.07042	74.6
95.04990	13.0
95.08607	44.7
96.35660	1.7
97.06525	9.2
97.10157	6.1
99.04480	1.9
99.08089	2.5
103.05471	1.8
105.04529	2.4
105.07033	90.5
107.04958	10.6
107.08598	54.2
109.06525	10.8
109.10162	58.8
109.10877	1.5
111.04410	2.9
111.08069	4.8
113.05994	2.9
115.05462	4.1
116.06166	2.1
117.07022	22.3
119.08588	58.8
121.06500	10.0
121.10152	24.0
123.08064	5.3
123.11725	9.5
125.09600	2.3
127.07547	1.8
128.06180	4.6
129.07004	16.4
131.08574	29.3
133.06529	3.3
133.10135	90.8
135.08086	12.1
135.11716	16.5
137.09651	4.7
141.07027	3.8
142.07784	2.7
143.08563	17.3
145.10126	25.6
147.08054	6.7
147.11691	30.0
149.09671	9.2
149.13239	7.8
151.11182	31.8
153.09087	3.4
154.47678	1.9
155.08534	4.9
157.10097	11.7
159.08022	3.7
159.11702	21.9
161.09676	8.8
161.13245	18.5
163.11154	3.2
163.14877	4.5
165.12831	2.5
169.10153	5.3
169.12247	5.0
171.11693	15.7
173.09598	4.8
173.13213	11.3
175.11171	3.8
175.14827	6.7
177.12761	2.9
179.10721	2.0
181.10178	3.7
183.11705	7.1
184.07375	9.3
185.13226	10.0
187.11229	2.4
187.14778	3.9
189.12782	2.4
191.14206	1.9
195.11682	3.9
197.13293	3.4
199.14824	6.5
215.12767	3.3
225.16542	2.0
227.17992	2.5
231.20993	3.9
241.19586	17.0
245.19037	2.4
253.14346	75.1
257.18951	4.3
259.20575	47.8
261.18451	2.3
263.20050	3.8
271.17123	2.2
273.18515	14.8
275.20319	3.3
282.59091	1.8
289.18073	8.0
291.19562	16.1
301.21725	1.6
313.21536	2.4
315.23279	6.6
333.24243	40.6
335.25916	10.1
347.22208	4.4
349.23639	2.0
353.28461	2.2
363.21149	2.5
365.23267	27.7
381.22726	4.0
409.30939	3.7
437.30524	3.1
455.31561	2.2
483.34222	2.9
489.35550	2.2
501.35529	5.7
511.34027	15.6
513.36902	2.3
529.35352	19.1
531.38116	5.6
549.39233	3.6
595.43604	3.2
605.41943	9.5
609.44824	4.1
623.43030	45.4
641.44275	18.0
741.72107	1.8
793.11383	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	839.427
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	35.8
62.22015	2.3
67.05508	61.3
69.03410	6.2
69.07090	10.4
71.52617	2.4
73.02925	13.5
78.58736	2.0
79.05499	36.2
81.03419	6.5
81.07062	76.5
83.08622	9.3
85.02916	49.5
85.06590	2.7
87.04462	1.9
91.03962	49.2
91.05493	20.0
93.07053	53.5
95.04990	4.0
95.08617	58.5
97.02885	18.2
97.06528	4.1
97.10160	4.6
99.04510	3.0
99.08093	3.6
105.07033	16.5
107.08611	35.9
109.10156	31.4
111.08078	3.0
117.07020	8.0
119.08591	16.9
121.10149	31.3
123.11695	16.3
127.03922	15.6
131.08568	18.7
133.10127	13.7
135.11710	27.3
137.13260	10.1
139.58446	2.1
145.04968	25.0
145.10133	12.7
147.11728	11.4
149.13310	14.6
159.11729	15.6
161.13272	12.3
163.06020	46.0
163.14822	16.3
165.12685	2.9
167.27184	2.1
173.13287	13.3
175.14833	3.9
177.16429	3.6
184.07281	3.4
187.14845	8.8
206.53702	2.1
221.53993	2.2
229.14464	2.9
243.21126	32.3
252.32643	2.2
258.08963	3.5
261.22168	100.0
267.15860	2.3
279.23236	6.8
280.64984	2.2
325.11282	2.3
335.25851	35.0
353.26895	66.2
479.30197	2.7
497.31110	8.8
774.58698	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	4.6
65.03953	3.1
67.05511	100.0
69.03428	14.2
69.07073	58.2
71.04996	25.0
73.02919	7.3
79.05500	82.9
81.03427	30.1
81.07062	98.6
83.04985	15.4
83.08610	12.2
85.02905	6.6
85.06544	5.9
86.09751	2.2
88.86303	1.8
91.05494	64.0
93.07052	83.1
95.04981	21.2
95.08613	57.8
97.02890	9.9
97.06543	80.2
97.10168	5.4
98.21626	3.5
99.04462	2.8
99.08099	5.5
103.05457	3.1
103.42961	1.9
105.07030	39.9
106.98099	1.8
107.04966	8.0
107.08601	37.8
109.06522	25.3
109.10162	23.2
111.08081	9.8
113.06006	4.9
115.05428	2.8
115.07572	29.0
117.07029	21.2
119.08591	31.8
121.06487	5.8
121.10143	34.7
123.08065	9.1
123.11702	5.6
125.00024	3.7
125.09579	3.9
127.03911	5.9
127.07588	3.5
128.06223	5.4
129.07013	11.0
131.08588	30.1
133.06522	4.2
133.10143	26.5
135.08081	9.2
135.11731	19.3
137.09676	3.6
141.06999	2.4
142.07774	3.6
143.08646	9.7
145.10138	19.5
145.33224	2.0
147.08040	6.2
147.11694	15.0
149.09641	7.2
149.13284	13.6
155.08592	3.1
157.10159	11.2
159.08060	4.7
159.11726	15.5
161.09619	6.6
161.13290	7.7
163.11261	4.7
163.14833	2.2
165.12778	2.0
169.10098	3.4
171.11710	6.6
173.04515	3.2
173.09604	1.9
173.13310	7.4
174.42957	2.0
175.11208	5.1
175.14879	3.4
177.12784	4.6
183.11781	3.9
184.07301	11.0
185.13274	4.0
191.14316	3.0
193.12289	5.2
197.13385	2.4
199.14844	4.2
211.14914	2.2
217.15906	8.2
219.17380	2.5
227.12822	4.2
227.17979	2.5
229.14238	3.5
233.15480	4.6
237.16286	2.7
241.10764	2.0
243.21182	3.3
245.18939	3.8
251.16365	2.7
253.14453	2.6
259.20761	4.0
261.19373	1.6
261.22125	12.5
263.20175	2.0
267.15948	11.8
269.17435	13.5
273.18518	31.4
275.20160	4.6
291.19550	22.6
293.21021	2.0
307.19009	2.9
317.24850	4.6
332.63770	2.1
333.24319	3.0
335.25830	91.6
336.26270	3.0
347.22293	10.9
365.23303	17.3
383.24228	4.1
389.28339	2.0
391.28308	2.5
515.37457	3.2
527.37103	8.8
529.38928	27.4
545.38312	5.5
557.38007	3.5
567.40662	3.9
607.43652	7.9
608.06104	2.3
625.44464	26.2
643.45795	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	1.0
60.72949	0.9
61.02918	4.2
65.03938	5.5
66.68775	1.0
67.05508	93.2
69.03084	2.2
69.03434	21.8
69.07073	53.5
69.93200	2.0
69.93609	3.5
70.46892	1.0
71.04997	18.7
71.08627	1.2
73.02914	5.6
77.03954	1.3
79.05496	83.6
81.03425	25.4
81.07059	92.0
82.07398	1.5
83.04984	12.2
83.08613	13.2
85.02914	8.7
85.06541	6.4
85.64388	0.9
86.09701	2.5
91.03960	1.6
91.05485	53.4
93.07046	76.9
95.04974	20.3
95.08611	59.1
97.02888	13.3
97.06534	78.6
97.10163	6.9
98.21508	1.2
99.04452	3.6
99.08095	5.6
99.30352	1.2
101.02411	1.2
103.05462	3.0
105.04501	2.9
105.07034	42.6
107.04963	8.3
107.08598	40.3
109.02872	4.4
109.06516	20.0
109.10156	21.5
109.10854	0.6
111.04457	2.8
111.08092	8.8
111.80108	1.2
113.05998	3.8
115.05453	3.2
115.07568	24.7
115.68825	1.0
117.06250	1.2
117.07028	21.0
119.04950	1.6
119.08585	27.5
121.06566	7.1
121.10149	29.0
123.04451	1.5
123.08057	7.0
123.11705	6.6
125.09618	4.2
127.03954	7.0
127.07536	1.3
128.06218	1.8
129.05492	2.7
129.07001	12.4
131.08568	26.3
133.06474	5.3
133.10132	25.3
135.08057	11.3
135.11707	16.4
137.09624	3.9
137.13266	2.0
139.07507	2.3
139.11174	2.9
141.07010	1.9
142.07773	1.5
143.08569	7.7
145.04968	2.3
145.06480	2.3
145.10118	17.9
147.08032	7.0
147.11702	12.1
149.09622	7.2
149.13260	10.4
151.11174	2.7
153.09116	1.3
155.08536	3.6
157.10144	9.8
158.64299	1.1
159.08099	3.5
159.11702	14.6
161.09587	6.7
161.13257	6.9
163.07625	1.0
163.11221	4.0
163.14807	1.5
165.09192	1.1
165.12819	1.6
167.08467	1.1
169.10132	4.6
171.11667	5.5
173.04495	10.1
173.09621	2.7
173.13297	5.8
175.11220	5.1
175.14821	2.9
177.12715	4.9
179.10672	1.5
179.14207	1.1
181.10123	1.6
183.11732	3.3
184.07413	2.5
185.09537	2.0
185.13304	5.2
187.11278	1.7
187.14828	3.4
189.11217	1.6
189.12761	2.2
193.12218	1.7
195.11780	1.9
195.13792	3.7
197.13324	1.4
199.11307	1.8
199.14810	3.9
201.07582	2.3
201.12756	2.4
201.16396	1.4
203.14293	2.2
205.15865	2.0
207.13774	1.2
217.15854	6.7
219.13837	1.2
221.15343	1.8
225.16631	1.1
227.17967	2.9
233.15416	3.5
237.16510	2.0
241.10895	1.3
243.21053	2.8
245.18990	4.3
249.36949	1.0
253.14401	4.9
255.17406	3.8
257.18872	1.5
259.20596	3.2
261.15045	1.2
261.22107	12.6
263.20300	1.3
267.15979	4.5
269.17480	13.5
273.18503	29.5
274.05038	1.0
275.20099	3.7
277.21732	1.2
291.19516	19.6
303.19427	1.5
307.18991	3.5
329.21222	1.9
333.20264	1.5
333.24408	3.9
335.25815	100.0
336.26059	2.5
347.22223	13.1
349.23929	2.4
351.25583	1.5
365.23230	13.1
383.24222	3.3
391.28442	1.8
435.23108	1.2
448.30576	1.3
515.37628	3.3
527.37207	2.5
529.38934	31.5
531.36810	1.5
545.38043	2.5
551.41101	1.6
553.38904	1.4
555.39911	2.9
557.38184	2.5
567.40021	2.6
583.40094	1.3
607.43701	8.2
610.90881	1.2
625.44641	25.3
626.45166	1.6
643.45367	10.3
649.38409	1.2
657.43195	1.7
787.47601	1.6
840.51685	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	2.2
62.04717	1.5
64.16937	1.7
65.03942	3.9
65.77977	1.7
67.05507	51.9
69.03423	5.1
69.07069	20.4
69.87177	4.5
69.87593	3.8
71.04981	4.2
79.05493	58.0
81.03419	4.2
81.06596	2.9
81.07058	49.1
83.04968	7.1
83.08611	21.7
85.02890	2.9
85.06548	2.4
86.09719	11.8
91.05482	44.5
93.06483	3.2
93.07045	44.2
95.04966	6.3
95.08611	35.8
97.06537	3.8
97.10175	35.3
99.08099	2.0
105.07035	52.8
107.04955	4.1
107.08598	54.3
109.06490	4.5
109.10171	21.4
111.08065	6.3
117.07008	16.1
119.08579	36.8
121.06500	2.0
121.10156	20.4
123.08109	2.0
123.11724	10.9
124.99989	6.4
125.09630	32.0
128.06207	4.9
129.07005	9.9
131.08574	27.0
133.10132	29.3
135.08047	5.5
135.11697	10.5
137.09575	2.0
141.06989	5.2
142.07779	3.7
143.08571	15.7
145.10133	24.2
147.11678	18.2
149.09648	5.6
149.13272	4.4
155.08548	7.7
157.10150	14.1
159.11662	17.4
161.09619	2.6
161.13249	9.4
167.08524	2.6
169.10136	11.4
171.10249	3.1
171.11638	12.4
173.11884	2.6
173.13225	11.4
175.14830	5.6
181.10085	4.0
183.11737	10.5
184.07350	28.3
185.13258	8.0
187.13300	4.9
187.14859	4.0
189.11232	13.6
193.10197	2.6
195.11745	7.0
197.13260	12.5
199.14816	7.3
207.11720	2.5
209.13338	3.8
210.37308	1.8
211.14798	4.2
213.16469	3.5
215.17966	2.2
221.13173	2.2
223.14896	3.1
225.16336	3.9
227.12749	19.0
227.17973	3.1
235.14844	2.3
237.16368	2.3
239.17949	7.9
241.19550	6.6
243.15851	8.7
245.13823	2.8
251.18040	3.4
253.19398	2.5
257.19034	7.9
259.20511	16.0
275.20044	14.6
277.21707	2.0
315.23270	2.9
329.32117	1.8
333.24319	13.4
349.23810	14.0
365.28430	11.2
381.31717	2.9
383.29495	2.3
407.29190	2.3
421.30951	1.9
439.31863	7.9
485.32620	2.7
503.33630	3.9
513.35791	6.9
515.39429	8.6
517.35107	2.3
533.39404	7.7
543.37073	2.3
551.40857	3.7
589.42041	4.3
607.43646	49.7
608.43976	2.9
625.44647	100.0
788.51929	1.9
840.47546	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	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	3.7
65.03936	5.8
67.05509	85.0
69.03432	9.0
69.06688	1.9
69.07071	33.9
69.62068	2.3
69.62469	8.6
71.04999	7.4
73.02924	2.1
75.76862	1.5
77.03931	1.9
79.05497	85.6
81.03416	12.2
81.07061	100.0
83.05000	12.4
83.08627	18.1
85.02908	6.8
85.06542	4.2
86.09719	2.2
91.05486	83.3
93.07050	76.8
95.04977	12.9
95.08615	57.0
97.02924	3.8
97.06544	11.0
97.10178	7.9
98.21496	2.2
99.08116	6.0
101.06037	1.5
103.05448	2.2
105.07037	80.2
106.66986	1.5
107.04965	9.2
107.08598	53.9
109.02904	2.4
109.06509	9.4
109.10166	26.1
111.04391	1.8
111.08111	8.4
111.11681	1.5
115.05466	3.9
117.07024	34.1
119.08588	59.4
121.06505	3.3
121.10151	33.7
123.08070	5.7
123.11702	8.0
125.00006	1.8
125.09653	6.3
127.03931	2.8
128.06229	4.0
129.05554	1.8
129.07008	22.9
130.07784	2.9
131.08577	38.4
133.06555	2.9
133.10138	48.7
135.08052	5.6
135.11702	24.7
137.09659	4.1
139.11182	1.9
141.07045	7.6
142.07780	4.2
143.08575	20.1
144.09270	1.7
145.06505	1.7
145.10138	35.9
147.08032	4.1
147.11693	36.4
149.09616	9.0
149.13264	16.3
151.11176	3.7
155.08553	12.5
157.10135	21.1
159.08109	2.2
159.11711	29.1
161.09599	3.0
161.13280	18.2
163.11198	10.0
163.14857	3.4
165.07004	1.9
165.09177	1.8
165.12805	2.2
167.08583	4.9
168.09366	3.1
169.10141	14.3
171.11684	20.1
173.04517	2.6
173.09705	3.0
173.13223	15.0
175.11206	3.2
175.14771	7.4
177.12823	3.6
179.08652	3.4
181.10112	8.5
181.12263	1.9
183.10229	2.3
183.11688	13.5
184.07335	8.9
185.13264	17.2
187.14838	6.2
189.11267	2.0
189.12874	2.1
189.16449	2.0
191.14369	2.0
193.10223	2.9
193.12137	1.6
195.11700	7.3
195.13737	3.7
197.13248	11.4
199.13191	1.9
199.14873	7.4
201.16495	3.2
207.11783	2.7
209.13324	8.3
211.14819	5.0
213.16373	4.7
215.17976	2.5
221.13181	2.9
223.14851	5.2
225.16460	1.9
229.14195	2.5
229.19559	2.1
231.17331	2.4
231.21152	4.4
233.15401	2.0
235.14832	2.7
235.16975	2.3
237.16338	3.3
239.17857	3.7
241.19571	16.3
245.13420	1.7
245.19002	1.9
247.20605	1.6
255.15822	9.5
257.19040	6.0
259.20587	47.3
261.16248	1.5
261.22223	2.7
265.19473	1.6
267.15829	3.6
269.17395	16.6
273.18494	5.0
275.20099	17.1
277.21707	3.6
289.21591	1.7
291.19788	1.7
297.22150	2.1
313.21823	1.7
315.23224	6.4
323.23709	2.4
331.22644	3.2
333.24219	50.1
335.25854	4.6
347.22723	2.1
349.23975	10.2
365.24142	1.9
365.28580	2.4
367.24863	4.7
385.23581	2.0
393.27789	1.7
421.31458	3.5
435.32541	8.7
453.33694	4.6
471.35059	3.6
487.34213	1.6
489.35754	2.8
501.35849	1.7
509.36459	3.1
513.35876	26.9
515.38464	7.3
517.39502	1.9
527.37299	51.5
531.36761	4.4
533.39813	4.0
543.36157	1.8
545.38495	7.6
551.40674	3.1
567.40405	4.2
597.44611	2.2
607.43555	36.0
625.44653	30.3
635.38849	2.4
643.45508	2.1
733.47058	2.1
751.47858	1.8
769.48547	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	6.6
67.05505	90.8
69.03418	7.7
69.07074	35.7
71.04983	5.9
71.07361	1.8
71.53527	2.1
72.59442	2.0
73.02916	3.2
79.05018	2.3
79.05498	83.2
81.03391	7.8
81.07057	94.9
83.04986	10.8
83.08618	19.7
85.02898	8.1
85.06551	3.4
86.09683	4.4
87.37131	2.0
91.04902	3.6
91.05482	89.7
93.07043	90.6
95.04975	15.6
95.08614	60.7
97.02876	5.5
97.06551	12.9
97.10188	10.5
99.08116	4.5
103.05469	2.7
105.04520	4.0
105.07033	100.0
107.04955	10.4
107.07884	2.9
107.08597	53.3
109.02901	2.4
109.06506	7.8
109.10159	24.5
111.08056	7.3
113.09660	2.2
115.05431	3.6
117.07012	38.2
119.08580	68.1
119.91982	2.0
121.06499	5.3
121.10146	33.1
123.08052	7.7
123.11690	7.5
125.00034	2.2
125.09626	7.1
127.03928	4.0
128.06209	4.7
129.07013	22.3
131.08571	44.3
133.10133	46.9
135.08017	4.3
135.11714	24.0
137.09581	3.6
139.11211	2.5
141.07016	6.9
142.07713	6.0
143.08594	25.7
145.10129	40.2
147.08092	3.8
147.11693	38.1
149.09564	9.3
149.13234	11.9
151.11212	2.6
154.07848	2.1
155.08549	11.9
157.10129	22.6
159.07953	2.4
159.11710	34.8
161.09616	4.7
161.13274	20.0
163.11163	5.6
163.14803	3.8
165.12767	2.7
167.08560	3.9
169.10152	14.6
171.07993	2.4
171.11700	21.2
173.13216	14.9
175.14807	8.0
177.12741	3.1
179.08478	3.7
179.14189	2.6
181.10095	8.3
183.11737	11.8
184.07373	15.9
185.13229	13.5
187.14830	7.9
189.12698	2.6
193.10156	3.7
195.11697	6.6
197.13313	9.7
199.14842	8.7
201.16295	3.9
207.11751	4.2
209.13225	7.8
211.14796	7.6
213.14577	2.6
213.16345	5.5
215.17961	2.3
221.13213	2.6
225.16338	4.0
227.12695	2.2
231.21080	4.8
235.14857	2.8
235.16942	2.4
237.16383	3.8
239.17982	4.5
241.19513	18.5
255.15732	9.2
257.19043	11.7
259.20563	41.2
261.22153	3.0
267.15811	4.7
269.17401	15.8
273.18463	4.2
275.20071	27.6
277.21878	2.9
285.22107	3.2
291.19745	2.3
293.21106	3.2
293.93579	1.9
313.21234	3.5
315.23108	5.8
331.22684	2.5
333.24274	45.4
335.25674	4.2
349.23941	14.8
351.24881	2.4
367.24652	6.1
421.30585	2.6
424.71475	1.9
435.32458	4.8
453.33441	3.4
513.35681	24.1
515.39191	5.1
527.37317	28.1
533.39911	5.9
539.36835	2.5
545.38141	4.8
551.40894	3.3
553.38757	4.4
567.40540	4.7
607.34161	3.1
607.43567	44.8
625.44653	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.83497	1.5
61.02923	3.6
65.03948	3.5
67.05509	90.4
69.03429	8.6
69.07075	36.8
70.55823	3.2
70.56195	2.9
71.05005	8.6
77.03925	2.2
79.05498	82.1
81.03423	13.6
81.07063	100.0
83.04984	11.6
83.08625	21.7
85.02909	7.4
85.06558	5.4
87.04482	3.3
91.05486	91.0
92.60732	1.5
93.07050	95.7
95.04971	12.7
95.08617	59.1
97.02911	4.2
97.06535	14.1
97.10170	7.6
99.04462	1.6
99.08101	4.6
103.05463	3.2
105.04525	3.7
105.07041	79.7
107.04962	7.7
107.07878	2.9
107.08599	50.0
109.02853	2.9
109.06518	10.3
109.10161	26.5
111.08093	8.5
111.11754	1.6
115.05472	3.2
117.07031	31.0
119.08589	72.5
121.06541	4.2
121.10154	35.3
121.38320	1.7
123.04451	2.3
123.08060	6.7
123.11703	7.2
125.09637	4.9
127.03923	3.3
128.06212	3.2
129.07014	16.0
130.07819	1.7
131.04887	1.6
131.08586	44.2
133.06548	1.8
133.10143	58.6
135.08066	6.4
135.11702	25.9
137.09625	3.9
139.11183	2.5
141.06998	7.1
142.07782	3.5
143.08557	20.1
145.10123	33.5
147.08035	3.5
147.11707	36.1
149.09639	9.9
149.13263	17.2
151.11215	4.5
153.07036	2.1
154.07782	2.2
155.08594	11.8
156.09293	1.9
157.10139	19.4
159.08093	1.8
159.11702	28.3
159.12875	2.6
161.09633	3.7
161.13254	23.2
163.11237	7.2
163.14833	3.5
165.12825	1.7
167.08562	4.7
168.09367	2.7
169.10126	14.5
171.11682	19.3
173.04550	3.1
173.09607	3.1
173.11914	2.4
173.13284	17.1
175.11214	3.6
175.14883	9.6
177.12737	7.3
181.10143	5.4
181.12160	1.7
183.11707	10.9
184.07394	3.3
185.13272	12.3
187.11147	2.2
187.14871	5.0
189.12854	2.5
193.10083	2.1
195.11708	6.8
195.13855	5.0
197.13289	9.6
199.14841	9.2
201.16449	2.9
203.14223	1.9
207.11499	1.8
209.13252	4.7
211.14865	3.6
213.12845	1.9
213.16475	3.6
215.18069	2.1
217.16019	2.0
219.11777	1.7
221.13190	2.2
223.14832	2.9
225.12761	1.7
225.16475	2.5
227.17963	1.9
229.19537	3.7
231.21027	3.5
235.14835	3.2
241.19577	17.8
243.21065	2.0
247.20622	2.3
253.14267	3.4
255.15877	15.1
257.18976	7.1
259.20593	53.4
261.22189	2.7
267.15845	3.5
269.14719	1.0
269.17465	30.0
271.20560	2.6
273.18500	5.4
275.20050	15.8
277.21664	4.0
291.19519	2.5
297.22217	1.9
315.23172	7.7
321.21997	2.0
333.24277	46.6
335.25967	9.3
341.24625	1.8
345.24170	2.0
349.23874	12.4
351.25391	2.4
365.23007	3.5
367.24887	6.8
409.30966	1.7
417.31564	1.9
421.30649	1.8
435.32712	11.2
439.31473	1.5
451.30716	1.9
453.33804	7.7
471.34512	5.7
473.34067	1.9
481.45044	1.6
489.35968	4.3
491.34714	1.7
509.36026	5.2
513.35828	20.7
515.38318	4.4
517.38965	2.7
525.35016	1.8
527.37366	70.1
531.37061	4.6
533.39777	2.9
545.38348	10.6
551.41144	2.8
597.45178	2.0
607.43469	26.8
625.44562	30.8
635.38971	3.6
643.45349	2.1
689.42023	1.8
697.71259	1.6
769.49066	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	842.5625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04997	2.0
61.02920	2.0
65.03936	3.7
65.71674	0.7
67.05509	100.0
69.03430	2.8
69.07073	23.3
69.95704	3.5
71.04996	4.6
71.08630	1.1
77.03938	1.0
77.73923	0.8
79.05499	51.8
81.03429	2.7
81.07060	75.8
83.04988	5.7
83.08624	15.4
85.02915	2.6
85.06545	3.2
86.09694	2.4
90.53429	0.8
91.05482	32.5
92.05785	1.0
93.07048	54.9
95.04966	6.3
95.08612	49.7
97.02868	1.1
97.06538	6.9
97.10180	9.1
99.08083	1.9
103.05473	1.0
105.04521	1.1
105.07039	23.7
107.04987	4.0
107.08601	36.8
109.06519	3.5
109.10160	49.3
111.08100	4.5
113.09628	1.7
115.05490	1.0
117.07018	10.6
119.08586	22.9
121.06503	2.5
121.10151	24.9
123.08061	3.4
123.11729	6.9
125.09623	7.6
129.05489	1.1
129.07007	3.3
131.08585	17.3
133.10129	18.4
135.08101	3.7
135.11696	13.5
137.09628	3.3
137.13271	1.0
139.11189	1.7
141.06929	0.8
143.08577	3.5
145.10126	13.6
147.11703	11.5
149.09619	6.2
149.13261	9.9
151.11151	2.7
153.06952	0.8
155.08562	1.1
155.10654	2.9
157.10115	2.7
159.11687	11.2
161.13306	5.3
163.11198	2.7
163.14833	3.2
165.12799	1.3
169.10129	2.2
171.11702	2.6
173.11746	8.4
173.13260	7.1
175.14784	1.5
177.12788	1.2
179.14307	1.6
183.11682	2.2
184.07388	6.2
185.13208	1.6
187.14832	2.5
189.11200	1.7
189.12767	1.3
194.16460	0.8
195.13795	2.5
197.13310	1.5
199.14922	1.1
201.16417	1.2
207.13858	0.9
211.14873	1.1
215.17769	1.1
219.17513	1.2
227.12784	8.9
229.14365	40.5
229.19313	1.3
239.17970	2.1
241.19685	1.0
243.21112	4.0
247.20596	1.0
257.18985	3.4
259.20660	1.6
261.22168	13.2
267.15921	1.0
269.17453	14.7
270.11807	0.8
270.33987	0.9
275.20093	21.5
293.21155	3.6
309.20743	1.8
317.24747	3.3
333.24240	1.6
335.25812	86.5
336.26221	1.9
337.27280	1.0
349.23712	15.8
367.24887	13.5
379.29871	1.5
393.60028	0.8
397.30737	0.9
471.34592	1.8
489.35785	32.5
490.35782	1.1
507.36902	4.8
527.37299	2.1
529.38916	31.0
530.39008	0.9
569.42151	9.1
588.75671	0.8
591.43689	1.4
609.45154	29.7
627.46234	18.7
737.69922	0.8
743.08417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4866
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.1
67.05507	4.9
69.03432	2.3
69.07076	1.9
70.92511	0.4
71.54096	0.8
72.71764	0.5
73.02925	3.3
79.05491	4.3
81.03421	1.8
81.07073	4.8
83.05007	0.7
83.08644	1.2
85.02906	3.2
86.09679	1.2
87.04456	0.5
91.03963	2.1
91.05486	4.0
93.07041	3.5
95.04967	1.3
95.08594	3.3
97.02882	3.3
99.04456	1.0
101.02375	1.4
103.03979	0.7
105.07031	3.3
107.08618	2.1
109.02894	0.8
109.06521	0.8
109.10172	1.0
117.07024	1.4
119.08615	2.3
121.10146	1.2
125.00060	1.3
127.03963	1.1
129.07033	0.9
131.08591	1.0
133.10143	2.6
135.11711	0.8
138.46233	0.5
143.08557	0.8
145.10204	0.9
147.11690	1.0
159.11714	0.9
184.07347	3.4
184.29552	0.6
185.04265	0.7
193.12270	1.1
243.08411	2.9
301.09100	1.4
313.17752	1.2
315.10660	0.9
331.18777	2.5
335.25815	0.6
357.15515	0.7
363.55600	0.6
399.00302	0.5
451.19739	1.3
531.25732	2.0
535.28680	5.9
549.26642	3.1
607.30640	0.7
621.29565	0.7
745.41571	1.2
825.47534	6.3
843.48633	100.0
844.48785	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	843.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08162	1.7
61.02936	3.7
67.05508	4.2
69.03433	2.6
69.07067	2.3
70.22981	0.5
71.05020	0.8
71.07378	0.6
71.13979	1.2
73.02569	0.5
73.02915	2.5
79.05499	3.8
81.03426	1.8
81.07059	5.1
83.04974	0.8
83.08630	1.0
85.02914	3.7
86.09715	7.1
88.33219	0.5
91.03988	2.4
91.04469	0.4
91.05490	2.7
93.07054	5.3
95.04945	1.0
95.08614	3.1
97.02907	3.3
97.06559	1.0
97.10161	0.7
98.21460	0.5
98.98512	1.2
101.02396	1.3
104.10768	0.7
105.07039	3.5
107.04991	0.8
107.08613	2.2
109.02914	0.8
109.10175	1.6
117.07038	0.9
119.08591	2.7
121.10159	1.4
125.00016	4.9
125.09632	0.8
127.03930	0.8
129.05490	0.6
129.07076	0.7
131.08638	0.7
133.10156	2.0
135.11768	1.1
145.10146	1.2
147.07959	0.5
147.11723	0.8
149.09637	0.6
149.13318	0.7
159.11748	0.9
171.11755	0.6
184.07356	22.4
185.04199	1.2
185.07689	2.7
241.56219	0.5
243.08333	4.0
291.19595	1.0
301.08917	1.2
315.10632	0.6
315.19449	0.7
331.18851	1.6
333.20407	0.6
371.22147	0.6
465.20474	0.7
533.27374	2.7
535.28754	4.0
540.39838	0.5
549.26794	4.2
551.28436	1.0
621.28912	0.6
843.48676	100.0
844.48865	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	0.5
61.02929	3.6
67.05516	5.0
69.03431	2.2
69.07057	2.6
71.04986	0.7
71.53716	0.7
73.02917	2.9
79.05496	5.3
81.03423	1.4
81.07065	5.6
83.08630	1.2
85.02901	4.0
86.09724	1.7
91.03970	2.4
91.05493	4.0
93.07052	4.2
95.04984	0.5
95.08607	2.7
97.02901	4.0
97.06579	0.7
97.10166	0.6
99.04464	0.8
101.02399	1.4
105.07041	2.7
107.04998	0.5
107.08597	2.2
109.10193	1.1
113.43992	0.4
117.07014	1.1
119.08614	2.1
121.10187	1.2
125.00047	0.8
127.03925	1.3
128.41328	0.4
129.05505	0.4
129.07103	0.6
131.08618	1.9
133.10153	1.7
135.11722	0.9
145.10146	1.0
147.11722	1.4
149.13313	0.6
159.11642	0.7
159.15141	0.4
161.13301	0.5
184.07361	4.3
185.04216	0.8
189.12852	0.4
191.94914	0.4
211.85144	0.4
234.33125	0.4
243.08430	3.0
301.09082	1.5
313.08997	0.7
315.10513	1.0
317.21072	0.4
333.20407	3.1
346.55673	0.5
358.63266	0.4
373.11102	0.4
397.18442	0.4
429.18140	0.4
431.24548	0.4
437.21802	0.4
439.19604	0.6
453.21228	0.9
465.21100	0.9
469.20837	0.6
535.28778	6.1
551.20166	0.4
551.28284	7.3
623.30743	0.7
665.35675	0.8
747.43024	0.5
809.43542	0.5
831.87653	0.5
845.50226	100.0
846.50476	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27673	0.3
60.08167	0.4
61.02927	4.1
62.41695	0.3
67.05510	5.1
69.03429	2.5
69.07075	1.8
69.19338	1.2
69.19767	1.2
71.05005	0.6
73.02024	0.2
73.02921	3.5
73.32704	0.2
79.05495	3.6
81.03426	1.8
81.03842	0.3
81.07058	5.2
83.05006	0.5
83.08643	0.6
85.02904	4.4
86.09713	2.5
87.04509	0.4
91.03960	2.8
91.05488	2.8
93.07043	3.7
93.07565	0.3
95.04977	0.6
95.08616	3.8
97.02897	3.9
97.06542	1.4
97.10188	0.3
98.98506	0.3
99.04491	0.8
101.02396	1.5
103.03902	0.3
105.07046	1.6
107.08596	1.7
109.02898	0.5
109.06524	0.4
109.10159	1.5
115.03902	0.3
117.07046	0.7
119.08612	1.1
121.10163	1.8
123.08100	0.3
123.11749	0.3
125.00001	1.9
127.03932	1.4
129.07050	0.3
131.08588	0.5
133.10156	0.7
134.15726	0.3
135.11719	1.3
137.05815	0.3
145.10237	0.4
147.11713	0.6
153.00516	0.3
173.13237	0.4
184.07359	7.9
185.04240	0.5
185.07735	1.0
203.05339	0.3
221.11548	0.4
229.14236	0.3
243.08453	1.8
319.19022	0.3
335.25894	0.4
337.27448	0.5
349.19882	7.7
405.22729	0.3
439.20007	0.6
453.21130	0.5
492.37918	0.3
519.29321	5.4
532.41168	0.5
567.27783	2.2
717.42365	0.5
832.06207	0.3
845.50171	100.0
846.50409	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	847.5178
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41042	0.4
61.02935	4.8
62.30107	0.5
67.05508	5.1
69.03436	3.5
69.07064	1.8
69.22986	4.7
71.05000	0.8
73.02930	3.6
79.05499	4.0
81.03424	1.8
81.07057	5.8
83.05019	0.6
83.08627	0.8
85.02903	4.8
86.09708	2.7
91.03968	2.7
91.05494	1.5
93.07056	4.2
95.04945	0.9
95.08596	4.0
97.02887	4.8
97.06557	0.5
97.10153	1.3
101.02399	1.6
104.10753	0.8
105.07034	1.9
107.08602	1.7
109.02905	0.8
109.10168	1.3
119.08570	1.1
121.10149	1.4
125.00050	1.6
127.03922	0.6
131.08589	0.7
133.10144	1.1
135.11719	0.9
145.10132	0.6
147.11720	0.8
149.13251	0.9
184.07364	6.8
185.07872	0.6
203.05328	0.6
243.08522	2.0
286.59299	0.5
313.27356	0.7
315.69247	0.5
351.21411	3.3
362.37283	0.6
483.43661	0.6
519.29407	5.7
520.34119	0.5
535.29041	0.6
569.29352	4.7
847.51764	100.0
848.51831	2.9
854.77600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	3.0
61.02930	12.3
65.03942	2.9
67.05508	99.2
69.03437	2.8
69.07069	8.7
70.57501	1.3
71.04993	4.0
71.08636	0.7
73.02920	3.9
79.05495	22.7
81.03428	1.2
81.07059	40.8
83.05000	0.8
83.08621	8.8
85.02911	15.1
85.06545	3.5
86.09735	1.1
91.03961	10.2
91.05486	14.4
93.07049	27.6
95.04996	2.2
95.08608	30.9
96.04477	0.8
97.02899	7.4
97.06535	1.9
97.10190	3.3
99.04470	1.1
99.08113	1.8
101.06000	0.5
105.04488	0.8
105.07037	8.4
107.08598	16.0
109.02877	0.7
109.06538	0.9
109.10162	86.3
110.10495	0.7
111.08098	3.2
111.11758	0.5
113.09672	0.5
115.03955	0.8
117.06998	4.1
119.08584	11.5
121.09325	0.9
121.10149	12.9
121.74496	0.6
123.11712	3.8
125.00005	0.7
125.09641	1.6
127.03918	2.7
127.11250	0.9
131.08585	6.2
133.10139	6.3
135.11684	8.8
135.28392	0.4
137.09641	4.0
137.13274	1.0
145.04976	4.0
145.10097	4.5
147.11684	5.5
149.13272	5.7
153.12807	0.9
155.10660	7.1
159.11690	4.7
161.13234	3.3
163.06032	4.5
163.14793	2.6
164.18684	0.5
167.57568	0.5
173.11746	18.3
173.13271	4.7
175.14824	1.4
177.16423	1.2
180.08955	0.5
184.07353	2.4
187.14838	1.9
189.11182	1.0
189.16524	0.5
201.16391	0.9
215.17874	0.5
227.12788	6.6
229.14359	100.0
230.14772	1.3
233.22722	0.7
235.17633	0.5
243.21114	6.6
261.22137	22.2
268.15662	0.5
277.21545	0.5
285.50565	0.5
299.23672	0.8
313.27322	0.6
315.01913	0.4
315.07031	0.5
317.24789	3.2
335.25812	78.8
336.26160	1.3
373.18518	0.5
379.30185	1.0
397.31061	2.2
415.32428	1.1
435.31641	0.6
471.34460	2.1
489.35764	79.2
490.36044	1.9
507.36987	8.2
563.08783	0.5
633.39325	0.7
883.04944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.8
61.02930	9.9
62.81110	0.4
64.32912	0.4
65.03957	2.3
67.05508	85.5
69.03434	2.3
69.06731	0.6
69.07074	6.7
69.17358	1.5
69.17776	3.0
71.04995	3.0
71.08630	0.8
73.02922	3.8
74.48576	0.4
79.05498	16.8
81.03424	1.8
81.07062	32.1
83.04991	1.0
83.08629	7.4
85.02908	14.2
85.06548	2.4
86.09707	1.0
87.04457	0.6
88.60548	0.4
91.03960	8.9
91.05489	10.0
93.07049	20.5
95.04979	1.9
95.08611	24.5
96.04508	0.4
96.13353	0.4
97.02891	6.8
97.06544	1.3
97.10174	1.9
98.20695	0.9
99.04449	0.9
99.08078	1.3
105.07044	7.2
106.24925	0.5
107.08607	12.7
109.06526	0.9
109.10161	77.0
111.08078	3.0
115.03934	0.5
117.07020	2.6
119.08584	9.9
121.10155	9.9
121.11040	0.5
123.08022	0.6
123.11718	3.6
125.00042	0.7
125.09663	1.4
125.90298	0.4
126.84096	0.4
127.03941	3.5
131.08569	5.4
133.10147	4.8
135.11697	7.5
137.09630	3.5
137.13254	1.6
143.08530	0.7
145.04958	4.2
145.10135	3.7
147.11690	3.6
149.13264	4.3
155.10675	7.5
157.10103	0.7
158.86827	0.4
159.11713	3.5
159.75723	0.5
161.13274	2.7
163.06023	4.4
163.14890	2.6
171.11667	0.7
173.11784	20.6
173.13274	4.0
175.14801	1.4
177.12749	0.5
177.16409	0.6
179.14305	0.5
184.07310	3.0
187.14818	1.6
189.11244	1.0
201.16371	0.7
213.14813	0.7
227.12801	7.0
229.14365	100.0
230.14673	1.0
233.22702	0.8
243.21069	5.5
245.22780	0.5
258.67831	0.4
261.22159	20.0
279.23343	0.6
317.24762	2.4
335.25815	62.2
336.25967	0.8
353.26917	0.5
354.44125	0.5
379.29971	1.3
397.31052	2.2
415.32394	2.0
471.34579	2.3
489.35770	48.9
490.36078	1.6
507.36807	7.4
633.39612	1.0
848.51312	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02651	0.5
61.02937	6.7
65.03936	0.8
67.05510	12.6
69.03436	3.2
69.07072	3.5
70.06608	0.5
71.01352	0.6
71.05011	2.5
71.52218	0.7
73.02921	2.4
79.05502	16.4
81.03425	33.6
81.07064	14.7
83.01365	3.9
83.04987	11.7
83.08627	13.2
85.02917	15.7
85.03436	0.5
85.06532	1.1
86.09698	0.6
91.03967	3.8
91.05487	15.6
93.07054	15.7
93.07645	0.9
95.04975	13.5
95.08620	6.9
97.02889	6.0
97.06549	2.6
97.10186	2.2
99.04465	1.7
99.08042	0.6
99.85723	0.4
105.07046	11.9
107.04964	6.4
107.08614	8.4
109.02854	0.5
109.06530	4.0
109.10179	1.9
111.04449	2.2
111.08098	5.0
113.06016	1.1
115.05453	1.0
117.07027	2.9
119.08591	10.5
121.06506	2.0
121.10151	6.0
123.04428	0.6
123.08072	5.3
123.11710	0.7
125.06016	1.1
125.09661	1.7
127.03917	1.7
129.07028	4.5
131.08582	6.3
133.06535	1.3
133.10159	4.8
135.08054	0.9
135.11711	6.6
137.09630	0.9
139.07550	0.5
142.07779	1.0
143.08565	0.5
145.05003	2.0
145.10126	7.7
147.04437	0.5
147.08087	1.5
147.11694	7.0
149.09645	3.0
153.12704	0.8
153.48346	0.4
155.08566	0.9
157.10165	5.9
163.03873	0.5
163.06058	1.9
163.11192	11.8
165.12802	1.5
173.09714	2.1
175.11206	6.5
181.12260	1.2
189.11247	0.5
191.10666	1.4
193.12260	19.1
202.66652	0.4
209.11775	2.1
211.13306	24.7
212.06404	0.5
227.12863	2.1
241.86971	0.5
246.24286	0.5
249.15010	0.4
265.14291	0.6
265.51108	0.5
267.15955	7.3
283.15424	34.5
285.16980	24.7
365.94629	0.4
383.22174	1.9
401.23480	0.6
457.25961	3.9
475.21161	0.4
475.26968	18.4
493.28012	100.0
494.28513	1.7
637.32251	1.0
803.09961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.9
63.06141	0.4
65.03932	1.4
67.05505	19.1
69.03075	0.6
69.03427	4.9
69.07072	5.5
69.41582	0.9
69.41992	2.3
70.80166	0.4
71.01347	0.4
71.05002	3.9
73.02918	2.8
77.03890	0.7
79.05493	21.7
81.03419	68.7
81.07056	25.0
81.07449	0.4
82.44720	0.4
83.04984	14.1
83.08620	25.1
85.02905	30.0
85.06532	1.9
91.03964	4.6
91.05483	29.5
93.07044	16.1
95.04969	26.2
95.08609	9.1
97.02888	8.0
97.06524	4.0
97.09745	0.3
97.10179	3.8
99.04453	1.0
99.08103	1.4
103.90292	0.4
105.04520	0.9
105.07027	21.3
107.04960	7.3
107.08596	7.5
109.02885	0.9
109.06507	5.3
109.10165	2.7
111.04443	2.5
111.08077	11.0
113.06020	2.7
115.05412	1.5
117.07031	1.5
119.04939	1.2
119.08582	19.3
121.06498	2.5
121.10145	9.3
121.63066	0.4
123.08080	3.5
123.11709	2.2
125.09630	1.4
127.03951	2.3
127.07563	0.6
129.07007	12.3
131.08568	12.0
133.06500	3.6
133.10132	12.2
135.08023	0.4
135.11745	0.6
137.09613	2.1
137.13232	0.4
142.07788	2.9
145.04994	1.9
145.06488	0.7
145.10100	2.2
147.04375	0.7
147.08060	2.9
147.11687	17.1
149.09612	7.0
155.08665	0.5
157.10127	15.3
163.06023	2.6
163.11176	1.8
165.12770	3.9
173.04391	0.4
175.11189	18.2
177.05489	0.8
183.13814	0.5
189.11284	0.8
193.12247	49.9
197.13202	0.6
211.13287	81.2
212.13719	1.0
229.14264	0.8
233.15309	0.6
249.14848	0.8
261.71909	0.5
267.15912	43.6
285.16965	83.1
286.17322	1.4
349.21457	0.5
367.22665	3.1
385.23633	4.5
403.24762	1.9
433.25940	2.7
441.26474	2.2
459.27435	39.1
460.27692	0.7
477.28473	38.5
478.28647	0.7
488.39417	0.5
495.29541	100.0
496.29654	1.7
509.44559	0.5
571.16034	0.5
639.33429	2.8
872.30194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.8
65.03931	4.8
67.05505	58.6
67.45494	1.0
69.03430	14.7
69.07069	46.7
69.71104	6.1
71.05016	6.2
72.71599	1.1
73.02889	1.6
75.27272	1.1
77.03929	1.8
79.05020	1.6
79.05495	54.4
81.03420	11.5
81.07056	59.2
83.04975	11.1
83.08628	19.2
84.08174	1.6
85.02899	3.5
85.06546	3.0
86.09680	1.4
91.05480	43.9
93.07046	47.5
93.07642	2.4
94.04236	1.2
95.04965	12.5
95.08610	25.1
97.02896	13.2
97.06537	10.4
97.10173	18.6
98.20746	1.9
105.04507	1.5
105.07029	32.7
107.04971	13.0
107.08593	32.5
109.02892	2.2
109.06516	7.0
109.10159	13.7
111.04475	2.3
111.08060	6.7
115.05441	1.9
117.07008	18.9
119.04938	1.8
119.07808	2.1
119.08589	28.1
121.06508	6.9
121.10143	15.0
123.04398	1.8
123.08073	6.4
123.11660	3.1
125.00014	1.9
125.09643	11.6
127.03931	2.9
129.07021	6.6
130.07750	1.6
131.08574	17.3
133.06490	5.8
133.10132	20.8
134.07288	1.4
135.08057	6.5
135.11685	10.0
137.09624	4.0
141.07019	1.7
143.08527	7.2
145.06523	1.8
145.10117	13.7
147.08047	6.5
147.11662	7.4
149.09628	9.5
149.13271	6.5
151.11148	3.2
155.08540	1.9
157.10132	6.2
159.11682	11.7
161.09610	4.1
161.13298	2.8
162.10388	1.4
163.11124	6.7
165.09073	1.6
169.10144	2.6
171.10240	2.1
171.11699	4.1
173.04449	2.0
173.09616	1.4
173.13261	4.3
175.11201	3.0
177.12720	4.1
179.10628	1.5
179.14345	1.8
181.10051	1.3
183.11784	2.4
184.07333	6.3
185.13274	1.8
187.11217	1.5
187.14764	1.9
189.11230	7.6
189.12721	1.7
193.12202	1.3
195.11711	1.7
195.13768	2.7
205.12233	2.2
215.14333	1.2
223.13292	17.8
227.12764	12.8
233.15471	1.4
239.17889	3.1
245.19029	2.0
247.20573	1.4
249.14845	3.1
253.14273	6.4
255.15710	5.3
257.19025	6.4
263.20120	1.9
267.15955	3.2
269.17505	17.8
273.18512	15.5
275.20099	19.1
289.18042	1.5
291.19537	100.0
293.21201	2.4
347.22037	3.5
349.23709	18.2
363.21533	1.8
365.23254	44.9
367.24725	3.0
413.21454	1.3
423.23544	1.6
519.32886	2.1
527.33740	1.9
535.33026	2.1
541.35461	3.0
543.36591	1.3
545.34631	15.6
559.36340	53.3
599.39142	1.9
621.41064	4.0
639.42548	31.3
657.43311	4.6
854.44897	4.2
854.61359	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.454
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	78.2
65.77191	1.8
67.05508	59.8
69.03088	1.7
69.03426	12.7
69.07079	11.3
69.52757	12.8
70.29079	2.2
71.04998	2.3
71.08627	2.0
73.02917	30.4
73.55663	2.2
79.05499	31.1
81.03426	5.7
81.07061	77.9
83.05000	2.5
83.08624	7.3
85.02911	100.0
91.03961	85.9
91.05489	21.8
93.07049	42.8
95.04987	2.5
95.08614	53.8
97.02895	48.8
97.06540	2.9
97.10159	3.2
99.04446	4.1
99.08157	2.4
103.03972	2.3
105.07027	15.8
107.08599	34.6
109.02907	3.4
109.10158	36.7
109.86458	2.2
111.08107	2.2
115.03949	4.2
117.07036	6.3
119.08578	13.2
121.10143	29.8
123.08055	2.0
123.11714	14.7
125.09609	2.8
125.13239	2.2
127.03921	34.5
129.07080	2.0
131.08572	16.8
133.10127	12.0
135.11710	26.7
137.13260	9.7
145.04970	55.5
145.10127	10.9
147.11714	10.3
149.13254	23.5
151.14813	2.5
159.11711	15.3
161.13280	12.3
163.06023	95.5
163.11189	1.8
163.14798	14.2
173.13232	13.2
175.14854	3.3
177.12798	2.6
177.16344	7.1
179.14336	2.6
184.07307	3.7
187.14821	6.6
201.16406	3.2
205.15868	2.5
219.17497	2.3
233.22635	3.5
235.34427	1.9
243.21103	34.5
261.22153	99.0
279.23257	4.2
325.11197	8.0
335.25864	37.8
353.26871	95.6
436.04922	1.9
465.20709	2.3
497.31009	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	856.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.6
65.03948	3.2
67.05509	100.0
69.03428	3.0
69.07074	16.7
69.18311	1.9
69.18726	4.2
71.01357	1.6
71.04996	5.3
71.22280	0.5
73.02916	3.4
73.06573	0.7
77.03922	0.8
79.05499	40.6
81.03429	8.4
81.07063	59.3
83.01367	1.0
83.04992	8.0
83.08147	1.2
83.08622	14.2
85.02911	11.9
85.06553	3.4
87.04490	3.1
91.03979	0.9
91.04905	0.7
91.05486	27.3
93.07053	41.3
95.04968	6.0
95.08613	41.2
97.02930	3.7
97.06531	5.6
97.10181	14.6
98.20807	1.4
99.08112	1.3
101.06059	0.6
103.03959	1.3
105.04541	1.5
105.07037	13.9
105.07694	1.0
105.34626	0.6
107.04983	2.3
107.07956	0.4
107.08604	27.3
109.06541	2.7
109.10165	57.5
111.04468	2.3
111.08080	3.7
113.06013	0.8
115.05414	1.0
117.07030	5.9
119.08599	16.4
121.06613	1.0
121.10152	18.3
123.08082	2.2
123.11733	3.5
125.05926	0.8
125.09641	13.3
129.05516	2.3
129.07053	1.9
131.08569	10.7
133.06523	0.7
133.10162	8.0
135.08070	1.0
135.11702	11.5
135.12704	0.8
137.09656	3.5
139.11272	0.9
143.08574	0.9
143.10686	1.9
145.05002	0.6
145.10129	9.2
147.08047	0.9
147.11717	6.1
149.09668	1.4
149.13260	5.4
153.12796	2.4
155.08623	0.8
155.10678	4.7
157.10167	1.7
159.11713	4.1
161.13275	4.1
163.11201	5.4
163.14885	2.4
171.11710	1.2
173.09639	1.4
173.10107	1.1
173.11800	13.8
173.13319	4.1
175.11266	0.9
175.14880	1.2
177.12857	1.1
177.16406	1.4
181.12299	1.3
183.11728	0.7
185.13318	0.8
187.14815	3.3
189.11217	0.7
191.10712	1.9
193.12291	1.7
199.13321	6.3
199.14984	0.9
201.16510	0.8
209.11758	6.0
209.13403	0.7
211.13271	1.4
217.14360	1.6
227.12859	6.7
229.14369	45.3
240.32448	0.6
243.21132	5.0
257.13889	1.3
259.20874	0.8
261.22171	14.0
267.16043	3.9
283.15555	2.1
285.17059	0.8
289.21826	0.8
297.22397	1.0
301.16470	15.1
309.22220	0.8
315.23303	1.3
317.24902	2.0
327.23358	1.1
333.24155	1.1
335.25818	75.2
336.26324	1.2
363.25470	1.2
399.23853	14.5
399.28839	1.0
459.34879	1.1
477.35764	5.9
489.35757	14.9
543.36884	2.2
561.37842	7.5
579.39130	3.3
659.45184	19.7
659.55768	1.3
677.46179	0.7
842.31384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.2
61.88799	1.4
65.03951	2.8
66.69914	1.5
67.05511	85.6
69.03434	8.9
69.07076	46.2
69.26130	6.6
69.26553	6.0
70.04691	1.3
71.01375	3.1
71.04986	7.0
73.02907	2.5
77.03915	2.0
79.05499	72.8
81.03416	18.9
81.07061	100.0
82.07375	1.6
82.22861	1.3
83.04983	18.3
83.08620	22.2
85.02901	6.0
85.06540	7.1
85.49296	1.3
86.09726	1.8
87.04465	1.8
91.05488	67.6
93.07052	72.3
95.04975	16.3
95.08617	46.9
97.02899	7.8
97.06532	21.9
97.10194	11.1
99.04477	2.5
99.08096	5.7
103.05443	3.4
105.04520	1.8
105.07043	56.6
106.07448	1.6
107.04955	12.3
107.08596	48.2
109.02872	3.3
109.06530	9.6
109.10166	20.1
111.04442	2.5
111.08091	6.6
113.09580	2.4
115.05441	2.7
117.07029	23.6
119.08592	41.4
121.06551	9.7
121.10135	23.5
123.08087	6.4
123.11708	5.3
125.09622	10.3
127.03944	3.5
128.06261	2.1
129.05522	2.6
129.07005	14.5
130.07835	2.7
131.08585	28.7
133.06487	2.4
133.10143	34.7
135.08107	7.3
135.11702	23.3
137.09639	3.9
139.11168	1.4
141.06990	3.2
142.07817	2.2
143.08607	9.2
143.89656	1.5
145.04942	1.6
145.06500	2.1
145.10118	25.0
147.07968	3.3
147.11710	19.1
149.09653	20.9
149.13260	16.8
151.11214	4.9
153.09087	1.8
155.08551	4.8
157.10149	10.8
159.11703	23.0
161.09619	4.3
161.13290	7.2
163.11215	14.2
165.12759	4.2
167.08565	1.8
168.09294	1.7
169.10106	6.0
169.12250	1.8
171.11682	5.6
173.04468	3.8
173.11949	1.7
173.13240	8.9
175.11205	3.4
177.12813	7.3
179.14355	4.2
181.12221	4.0
183.11705	4.8
184.07361	5.9
185.13313	4.5
187.11235	1.8
189.11203	3.0
195.12253	1.5
195.13832	10.5
197.13284	4.2
199.14867	2.7
201.12772	1.8
201.16373	1.8
219.13849	1.6
223.13364	2.3
227.12839	7.7
229.14326	2.4
229.19507	2.3
233.15469	2.0
235.16965	1.9
239.17973	5.5
247.20558	2.7
251.16389	1.6
255.15915	15.9
257.19040	13.4
259.20633	2.0
267.15976	5.2
269.17484	46.7
273.18536	2.8
275.20074	47.9
276.20502	1.6
291.19592	4.0
292.19656	2.6
293.21002	5.4
331.22787	4.6
349.23764	45.1
367.24722	9.5
390.91278	1.4
400.13803	1.5
403.09634	2.2
405.25845	1.4
413.21768	1.8
431.28275	2.1
435.27432	4.2
445.29251	2.3
449.29044	30.4
451.32300	3.2
463.30569	37.1
503.33826	1.9
525.35742	5.7
529.35553	12.0
543.28387	2.6
543.36859	50.4
544.36761	1.8
547.35724	2.4
561.37994	8.3
583.40625	2.0
587.32245	1.6
607.34497	3.6
623.43201	9.3
641.43646	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45421	1.2
61.02912	2.5
65.03940	5.5
67.05511	84.6
69.03442	12.3
69.07073	44.2
70.70399	3.4
71.01360	1.0
71.05007	9.1
73.02903	2.6
76.81959	1.1
77.03912	1.8
79.05499	80.0
81.03429	19.8
81.07063	100.0
83.04993	16.4
83.08154	1.4
83.08622	20.2
84.42811	1.3
85.02916	7.2
85.06544	4.2
87.04433	1.6
91.05488	68.2
93.07050	78.6
95.04980	16.7
95.08614	48.8
95.09133	0.7
95.09242	1.3
97.02362	1.1
97.02892	7.1
97.06534	23.4
97.10174	10.3
99.04465	1.7
99.08109	3.9
103.05454	2.3
105.04539	2.7
105.07040	59.6
107.04961	15.1
107.08605	53.8
109.02874	2.7
109.06538	10.8
109.10180	17.6
111.04440	2.7
111.08091	6.3
113.09630	2.0
115.05463	5.0
117.07030	30.6
119.08593	44.6
121.06514	9.7
121.09324	2.1
121.10152	28.9
123.08117	5.8
123.11710	8.2
125.09647	7.5
127.03918	4.7
128.06216	4.0
129.05556	2.3
129.07019	13.5
130.07811	2.7
131.08580	29.6
133.06520	3.1
133.09135	1.8
133.10139	37.3
135.08075	9.3
135.11707	24.9
137.09630	6.9
137.13200	1.4
139.11145	2.5
141.06956	3.8
143.08562	10.8
145.06505	2.5
145.10141	30.2
147.08034	4.6
147.11710	20.4
149.09630	19.2
149.13261	16.2
151.07478	1.1
151.11186	4.3
155.08582	6.2
157.10126	11.1
159.08061	3.2
159.11700	26.6
161.09608	3.2
161.13275	6.4
163.11177	13.5
165.09172	1.2
165.12740	3.4
167.08580	1.9
169.10115	6.7
169.12309	1.4
171.10353	2.0
171.11638	7.6
173.04507	3.6
173.09634	1.6
173.11778	2.2
173.13254	11.3
175.11256	2.5
175.14873	2.4
177.12828	5.3
179.08456	1.4
179.14319	6.4
181.10088	2.6
181.12224	3.3
183.11731	6.0
184.07361	5.0
185.13193	5.5
187.11165	3.2
187.14827	2.8
189.11197	3.6
189.12762	2.2
191.14345	1.8
193.12138	1.4
195.11954	1.9
195.13820	8.9
197.13281	4.9
199.14763	2.6
201.12865	1.2
201.16408	1.6
205.12233	1.4
209.13330	1.6
211.14856	1.5
213.16414	2.7
215.18021	1.5
217.15823	1.3
219.13878	1.1
219.17453	2.0
221.13350	1.5
227.12796	10.8
227.17920	1.9
229.14215	1.8
229.19479	3.5
233.15349	2.1
235.16870	2.1
239.14343	1.3
239.18053	6.3
245.13753	1.2
247.20673	4.1
251.16451	3.6
253.14294	2.7
255.15895	17.7
257.19028	16.4
259.20514	2.6
267.15918	5.8
269.17502	46.2
273.18634	3.0
275.20081	58.7
276.20465	1.5
277.21570	1.4
285.16974	1.4
291.19516	2.4
293.17676	1.5
293.21112	4.9
306.02902	1.2
320.77759	1.5
321.24182	1.9
329.21353	1.1
331.22699	5.3
349.23755	52.9
353.24814	1.5
367.24835	7.5
413.21472	1.8
431.27798	1.5
433.30585	2.3
435.27451	5.1
445.29477	3.3
447.31021	1.5
449.29047	29.0
451.32101	2.7
463.30576	32.9
469.33600	1.6
485.32632	2.0
503.33649	2.2
515.37384	2.1
525.35504	7.0
529.35504	14.7
541.34869	1.5
543.36835	53.5
544.37213	1.2
547.36102	2.4
561.38116	9.5
583.39294	1.4
593.32874	1.5
605.41864	2.2
607.34442	3.5
623.43231	11.6
641.43701	5.1
687.40808	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	858.5582
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08183	2.8
60.15379	3.1
61.61881	3.2
64.06389	3.1
65.03912	3.2
67.05509	100.0
69.03429	4.6
69.07075	20.8
70.12991	3.3
70.13310	12.5
71.04979	8.4
79.05504	62.7
81.03396	5.4
81.07057	81.9
83.08625	16.2
85.02901	4.4
85.06527	3.7
86.09708	13.9
89.28712	3.0
91.05487	72.8
93.07052	72.2
95.04981	9.4
95.08614	50.6
97.06528	10.2
97.10180	8.5
99.08109	4.2
103.05428	3.5
105.07035	67.0
107.04951	5.5
107.08604	38.6
109.06522	3.3
109.10162	52.2
111.08070	9.2
117.07035	24.7
119.08584	58.7
121.10147	25.5
123.08109	3.4
123.11722	8.2
125.00003	9.7
125.09629	7.7
128.06259	3.5
129.07014	11.8
131.08578	35.0
133.10138	38.8
135.11708	20.7
135.40681	3.2
137.09576	5.7
141.06963	3.4
143.08571	15.6
145.10144	28.7
147.11710	40.7
149.09679	6.5
149.13345	15.8
151.11108	3.5
155.10703	5.1
157.10074	16.5
159.11726	22.3
161.13283	22.0
163.11189	9.0
163.14809	4.5
169.10124	10.2
171.11630	15.4
173.11725	12.9
173.13271	12.8
175.11250	4.6
175.14804	9.1
179.14294	4.0
183.11717	5.9
184.07362	45.8
185.13286	7.7
187.14850	3.8
197.13248	6.8
199.14822	6.0
209.13240	4.7
227.12862	7.6
229.14374	41.9
231.21101	5.6
241.19518	20.6
257.19037	6.2
259.20569	59.9
269.17450	15.1
275.20108	26.3
293.21143	3.3
315.23239	5.9
333.24246	62.7
335.25693	4.2
349.23816	10.0
365.23123	4.1
367.24896	18.3
435.32498	4.2
487.34399	16.2
505.35141	29.1
513.35742	7.8
515.37469	4.1
527.37292	40.6
533.39838	7.1
545.38245	10.8
607.43628	38.6
625.44690	49.2
643.44965	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	871.265
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02396	0.8
69.03084	0.4
69.03431	5.8
69.03775	0.5
70.06599	0.7
70.85542	0.2
71.26021	0.5
78.04720	0.5
79.05505	0.3
81.03429	1.0
81.07042	0.3
85.02910	4.3
89.03923	6.1
91.05493	0.7
95.08647	0.3
97.02926	2.2
97.32534	0.3
99.00819	1.1
99.04461	1.0
100.46562	0.3
103.05505	0.3
106.04132	0.3
107.08570	0.3
109.02856	1.5
117.01981	0.6
117.03384	17.5
121.06516	0.3
127.03916	6.7
134.03629	1.1
134.58963	0.3
135.04399	1.0
137.06001	1.3
145.02853	45.7
145.04956	2.5
146.03214	0.5
149.05998	6.2
151.07614	0.3
155.05051	0.3
162.03122	0.5
163.03860	0.7
177.05478	100.0
178.05791	0.8
181.06453	0.7
186.05569	1.7
213.09245	0.3
224.17345	0.3
241.08531	0.6
243.05031	0.4
245.66975	0.3
246.78644	0.3
261.05981	0.9
265.08551	1.0
269.53687	0.3
272.10458	1.1
273.11215	1.5
277.08542	0.3
278.05844	0.3
293.08176	1.3
297.11264	0.4
303.08508	0.4
321.09753	2.9
325.10806	2.0
353.10278	3.4
371.11279	0.7
437.10965	0.4
515.14984	1.1
568.21405	0.3
581.14569	0.9
879.29761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	4.4
67.05508	100.0
69.03410	9.4
69.06722	3.1
69.07073	33.9
69.73695	12.4
71.04984	6.2
79.05496	59.2
80.31412	1.8
81.03427	13.8
81.07060	90.9
83.05022	11.4
83.08628	19.6
85.02901	7.0
85.06529	5.7
86.09727	3.2
89.04578	1.9
91.05483	56.1
93.06483	4.2
93.07047	59.0
95.04972	13.9
95.08607	39.3
97.02872	3.3
97.06539	20.3
97.10170	14.8
98.20784	3.6
99.04497	2.2
99.08109	4.3
105.06396	3.8
105.07037	43.7
107.04942	10.4
107.08598	48.0
109.02888	4.3
109.06515	9.4
109.10169	43.3
109.26740	2.0
111.08082	5.6
113.09684	3.1
115.05413	2.4
117.07032	18.6
119.08584	34.7
121.06493	5.0
121.10152	24.7
123.08070	5.7
123.11692	8.0
125.09643	12.7
127.03959	2.8
129.07001	6.6
130.07724	2.5
131.08563	21.8
133.10133	28.7
135.08060	7.2
135.11705	17.9
137.09618	5.7
142.07768	2.2
143.08557	7.3
145.10143	17.2
147.11700	14.8
149.09621	13.9
149.13277	14.1
151.11258	4.6
155.08546	7.9
157.10068	5.9
159.11707	19.9
161.09673	2.6
161.13271	5.1
163.11215	7.4
165.12816	3.3
167.08603	2.2
169.10133	6.7
171.11688	5.3
173.04362	2.5
173.09584	2.1
173.11713	9.4
173.13277	7.7
175.11243	3.5
177.12781	4.5
179.14243	3.5
181.10101	2.3
183.11667	2.6
184.07330	7.2
185.13248	5.2
187.11172	2.2
189.11235	6.3
195.13835	7.3
199.14767	3.0
227.12756	14.4
229.14368	30.6
229.19434	3.5
239.17952	6.6
255.15913	5.7
257.19116	12.4
267.15878	4.1
269.17456	32.6
275.20087	47.3
277.79193	2.2
278.93176	2.3
293.20996	5.2
309.20578	2.4
331.22885	3.2
349.23746	43.7
351.25284	2.1
367.24857	14.8
409.25958	10.3
423.27472	40.2
433.29962	2.2
445.29819	2.3
449.28918	9.0
463.30539	27.8
479.41931	2.4
485.32706	2.9
503.33759	26.7
519.33289	2.5
521.34772	5.9
523.17499	2.3
525.35425	6.6
529.35132	7.3
531.13538	2.3
543.28534	2.6
543.36731	50.3
544.37207	3.3
547.36462	4.1
561.38025	15.8
567.31903	3.3
583.39917	3.2
607.34692	4.5
613.74725	2.2
623.43103	16.6
641.43890	6.4
659.44855	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	879.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	2.7
69.03429	2.7
70.06570	2.5
71.49023	2.0
71.53344	2.5
79.05492	6.8
85.02911	4.6
91.05470	3.8
93.07063	4.4
94.06564	8.0
103.05481	5.1
106.06555	2.9
108.08132	10.5
116.05000	6.1
117.20675	2.3
118.06550	3.6
120.04450	5.0
120.08113	39.2
122.06045	34.8
122.09608	2.4
124.07589	5.2
127.03895	2.0
132.04469	2.1
132.08090	2.6
134.05998	5.1
136.07600	37.1
138.05566	2.9
138.09122	2.7
144.04486	12.5
146.06024	12.2
148.07585	100.0
150.09183	5.1
152.07092	6.0
160.03957	4.2
160.07596	3.9
162.05528	9.6
164.07095	9.9
166.08629	7.4
172.03952	79.8
172.07520	2.2
174.05537	2.7
176.07076	11.0
178.05022	3.7
188.07088	6.9
190.04997	49.2
190.08659	2.3
192.06522	3.4
194.08160	7.3
196.09900	2.4
204.06578	89.1
206.08131	6.0
207.09171	2.7
208.05956	2.5
208.09729	2.6
209.10751	3.1
210.11591	2.4
211.12289	3.8
216.06793	2.1
218.08231	4.1
221.10822	2.3
223.12334	9.1
225.10193	3.9
227.11778	2.9
230.08131	3.2
232.06007	3.9
234.07710	3.4
235.08759	4.3
236.09389	6.5
237.10265	8.3
238.10971	8.5
239.11818	5.3
246.07730	5.3
248.09419	3.2
249.10254	9.7
250.10974	9.0
251.08109	2.8
251.11845	12.7
252.08731	8.0
253.09729	6.1
253.13330	3.0
254.10381	4.0
255.11342	10.6
261.10403	3.6
262.06992	2.7
262.10974	8.8
263.08539	2.9
263.11844	16.3
264.08856	10.2
265.09808	9.8
265.13419	4.6
266.10608	6.0
267.11319	12.1
269.12756	2.4
275.11926	2.6
276.08774	3.1
277.09723	9.4
277.12772	2.7
278.10281	25.3
279.11337	33.7
280.08289	5.1
280.11905	8.0
281.09604	2.4
281.12836	7.6
283.11102	2.5
285.12344	8.7
287.05484	2.9
289.09671	6.3
290.10638	3.7
291.11368	14.6
292.12030	3.0
293.09256	5.3
293.12741	6.3
294.09909	3.9
294.13165	2.5
295.10788	4.6
296.11423	18.5
297.12302	19.2
298.09262	5.7
302.10556	2.6
303.11124	3.7
305.09122	5.0
305.12622	3.0
306.10107	3.6
307.10779	29.0
308.11429	2.3
309.12360	21.5
311.10339	4.8
311.13876	2.6
314.12515	3.8
317.09445	3.5
319.10828	10.3
321.12302	21.3
322.12747	2.7
323.10388	16.5
324.10931	2.6
325.11896	22.2
327.13474	5.5
335.10254	6.3
335.14008	3.1
337.11798	22.3
339.13403	21.0
339.97836	2.3
341.15091	3.7
349.11780	4.6
351.13593	3.8
353.11548	2.3
355.12778	3.8
365.11276	3.4
367.12930	4.9
369.14359	6.6
370.15289	2.6
379.12994	3.8
383.12152	2.9
385.13663	2.4
391.12946	3.4
395.12149	4.5
397.13892	2.5
403.12823	4.3
407.12024	3.6
411.11804	38.9
413.13464	3.8
419.12378	3.6
419.17712	2.6
425.13556	3.1
430.17755	3.5
431.12332	6.2
443.14417	26.1
445.15823	5.7
449.13657	3.3
460.18082	2.7
467.14304	3.3
474.21115	2.4
516.21344	3.2
576.20477	4.7
578.21704	2.6
606.20428	5.9
622.20709	3.1
658.19635	4.3
662.23535	5.5
670.18884	2.8
672.20752	2.5
680.24493	3.2
688.21619	5.0
690.22455	8.1
702.22522	7.6
706.22571	72.8
707.22882	18.9
708.23792	24.6
720.24170	10.1
722.25128	4.0
724.23486	78.2
725.24048	11.9
726.25208	55.1
738.25073	29.4
739.25793	18.7
740.26880	18.2
756.26245	18.0
757.27124	4.7
758.27649	24.3
892.73322	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	879.508
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02941	3.5
61.69603	0.4
66.66410	0.5
67.05507	5.9
67.65180	0.4
69.03451	2.9
69.07079	3.4
71.01369	0.6
71.05000	1.1
71.52995	0.7
73.02927	2.5
75.04442	0.5
75.69936	0.4
79.05513	3.4
81.03427	2.0
81.07062	4.5
83.05007	1.1
83.08601	0.8
85.02906	4.7
86.09712	0.6
91.03976	1.7
91.05489	3.3
93.07050	3.3
94.42191	0.5
95.04944	0.6
95.08636	2.1
97.02896	3.0
97.06561	0.8
97.10191	1.2
99.04494	0.9
101.02399	1.5
101.96254	0.5
105.07056	1.9
107.04988	0.5
107.08598	2.6
109.02912	0.9
109.10169	2.2
117.07046	1.3
119.08609	1.6
121.10157	1.3
125.09678	0.8
127.03967	1.1
131.08626	0.9
133.10168	1.4
135.08102	0.5
135.11757	0.7
145.10193	0.5
159.11763	0.6
173.11711	0.8
184.07394	0.5
189.11266	0.7
229.14395	0.6
243.08360	2.5
333.20200	2.4
351.21500	1.8
371.16983	0.6
389.23175	0.7
407.24274	0.8
439.19330	0.6
453.21207	1.0
499.21512	0.7
551.28296	5.9
569.29333	10.1
647.19189	0.6
783.58765	0.5
793.42761	0.6
879.50812	100.0
880.51611	2.6
897.44891	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.8
65.03937	0.6
67.05503	12.6
69.03432	1.1
69.07069	7.7
71.04996	1.7
71.08633	16.1
73.02914	1.6
75.95095	0.2
77.03919	0.2
79.05493	11.8
79.51156	0.3
80.54520	0.3
81.03405	1.4
81.07057	17.1
83.04982	2.2
83.08620	10.2
85.02905	2.8
85.06560	0.5
85.10184	10.5
87.04454	0.3
89.06041	1.3
91.03947	2.1
91.05477	3.5
93.07043	20.2
95.04974	3.4
95.08607	34.2
97.02894	4.9
97.06528	2.3
97.10167	3.8
99.04458	3.1
99.08083	0.4
99.11736	0.4
103.05484	0.4
103.07571	0.9
105.07020	3.8
105.46024	0.2
107.04966	5.1
107.08596	17.3
109.02904	0.3
109.06516	1.1
109.10155	7.4
111.04443	0.8
111.08083	0.8
111.11708	0.8
113.05994	0.5
113.09656	0.3
117.07014	4.9
117.09117	0.4
119.08576	6.4
121.06506	3.6
121.10144	9.6
123.08080	0.4
123.11707	2.4
124.04425	0.2
125.05986	2.4
125.13238	0.6
127.03902	0.7
127.07523	0.3
129.05627	0.2
129.07005	0.4
130.07811	1.0
131.10667	0.4
133.10139	1.8
134.38875	0.2
135.08086	1.2
135.11691	37.7
137.13278	0.9
139.07576	1.2
139.11154	0.6
143.08571	0.5
145.04939	0.7
145.10124	20.0
153.12788	0.9
155.08539	0.3
163.06013	0.7
163.11180	51.9
164.11572	0.5
173.09656	0.7
181.12233	9.5
184.07179	0.3
209.11694	1.0
221.22626	0.5
227.12781	56.6
228.13243	0.6
229.05402	0.3
239.23686	1.7
257.24765	2.5
283.15393	85.0
284.15796	0.9
298.27463	0.4
301.49832	0.3
313.27359	87.2
314.27716	0.9
470.64828	0.3
521.38385	100.0
522.38733	1.6
539.39392	0.3
805.76361	0.3
893.96429	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	7.1
65.03923	0.4
67.05509	8.5
69.03444	1.7
69.07067	4.8
71.01329	0.5
71.04999	1.8
71.08634	13.2
73.02926	2.7
73.06521	0.3
79.05496	8.5
81.03424	5.6
81.07059	13.3
81.72368	0.3
83.01337	4.6
83.04977	5.0
83.08624	10.2
85.02911	12.5
85.06528	0.8
85.10185	7.6
87.04465	0.4
89.05998	1.4
91.03426	0.4
91.03956	6.5
91.04971	0.4
91.05486	4.8
93.07051	10.7
95.04969	2.4
95.08614	13.3
96.04462	0.4
97.02903	5.7
97.06516	2.0
97.10174	3.1
99.04451	1.7
99.08086	0.5
99.11700	0.4
103.07564	0.6
105.04533	0.3
105.07034	4.5
107.04960	3.6
107.08595	6.8
109.02901	0.4
109.06528	3.3
109.10163	5.4
111.04410	1.0
111.08059	0.7
111.11702	0.9
111.95674	0.3
115.03895	0.5
117.07015	4.2
119.08593	3.9
121.06526	2.0
121.10161	4.1
123.08077	4.4
123.11679	1.3
124.99961	0.3
125.05966	0.9
125.09586	0.5
125.13258	0.3
127.03899	1.6
129.06987	0.8
130.07751	0.5
131.08589	1.5
133.10141	0.7
135.08025	0.7
135.11699	6.8
137.09543	0.8
137.13251	0.7
139.07439	0.5
143.08569	0.6
144.06593	0.4
145.04973	3.7
145.06113	0.5
145.09064	0.5
145.10133	7.8
147.08032	1.2
149.09625	0.5
153.12701	1.2
155.08513	0.9
163.06047	3.7
163.11197	14.2
173.09651	1.6
181.12286	2.4
184.07341	1.1
191.10661	1.4
206.39397	0.3
209.11737	3.5
227.12810	2.9
239.23676	1.1
257.24728	1.4
283.15411	100.0
284.15839	1.0
313.27374	68.9
314.27722	1.3
521.38409	50.5
522.38666	1.2
880.53003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02891	2.0
67.05509	10.1
69.03410	1.3
69.07072	5.4
71.08638	17.9
73.02901	1.2
74.09686	1.7
79.05503	7.5
81.03380	1.5
81.07059	15.0
83.04980	1.3
83.08625	9.8
85.02863	2.0
85.09750	0.7
85.10183	9.2
89.05985	1.2
91.03940	1.1
91.05464	2.7
93.07051	15.5
95.04932	2.2
95.08614	25.7
97.02900	3.0
97.06504	1.5
97.10172	4.0
99.04425	1.9
103.07522	0.7
105.07056	2.7
107.04954	3.5
107.08603	9.8
109.06474	0.7
109.10159	6.5
111.04420	0.7
111.08083	0.7
111.11654	0.7
117.07008	3.3
119.08586	4.2
121.06500	2.9
121.10139	5.9
123.11660	2.1
125.05948	2.0
125.13246	0.6
131.52637	0.6
133.10063	1.5
135.08035	1.2
135.11700	24.1
136.11919	0.6
137.13213	1.1
139.07607	0.8
143.08536	0.8
145.09082	0.8
145.10146	13.9
153.12651	0.8
163.11188	32.5
181.12250	7.2
184.07318	0.9
193.52661	0.5
209.11731	0.6
225.69315	0.5
227.12793	34.2
239.23741	1.3
253.76938	0.6
257.24747	2.1
268.16290	0.7
279.71262	0.6
283.15417	41.0
284.15799	0.6
313.27380	94.6
314.27747	1.5
506.39117	0.7
521.38416	100.0
522.38641	2.3
595.93396	0.6
614.86389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64488	0.2
65.03920	0.3
67.05508	8.1
69.03431	1.9
69.07072	4.2
70.07378	0.3
70.10770	0.8
71.04987	1.4
71.08635	10.2
73.02926	1.3
79.05499	6.0
81.03422	21.8
81.07061	11.0
82.07365	0.3
83.04985	4.4
83.08623	11.9
85.02910	10.6
85.06527	0.6
85.10188	6.4
85.34478	0.2
86.09645	0.3
87.04432	0.4
89.05981	0.7
91.03967	2.7
91.05486	6.6
93.07053	4.4
94.18139	0.2
95.04974	8.2
95.08614	10.8
96.04528	0.2
96.08919	0.5
96.25764	0.2
97.02900	3.1
97.06536	1.4
97.10180	3.2
99.04402	0.5
99.08070	0.5
99.11694	0.3
103.07526	0.3
105.06431	0.4
105.07037	4.8
107.04972	1.7
107.08614	2.7
109.02846	0.4
109.06538	1.3
109.09492	0.3
109.10160	4.6
111.04444	1.3
111.08091	4.0
111.11682	0.6
113.05982	1.0
115.05435	0.4
117.07016	0.5
119.04919	0.4
119.08585	5.3
121.06486	0.8
121.10173	2.8
123.08050	0.8
123.11699	1.6
125.09601	0.6
125.13263	0.3
127.03952	1.4
129.07016	3.0
131.08559	3.2
133.06419	0.5
133.10120	2.2
135.08020	0.3
135.11707	1.3
136.12003	0.6
137.09544	0.7
137.13196	0.4
142.07762	0.5
142.71608	0.2
145.04956	0.8
145.10092	1.0
146.10406	0.3
147.08075	1.1
147.11694	5.6
149.09636	2.3
150.38620	0.2
157.10127	4.5
163.06004	0.8
163.11186	2.2
164.11494	0.9
165.12759	1.0
175.11192	6.2
181.12221	0.3
184.07393	1.3
193.12250	18.7
211.13301	23.4
212.13556	0.2
221.22688	0.3
227.12755	1.7
228.13121	0.7
239.23705	0.8
249.14998	0.2
257.24670	0.8
266.48904	0.2
267.15930	7.3
273.32526	0.2
281.16437	0.2
283.15424	3.0
284.15720	2.4
285.16977	23.7
286.17163	0.3
313.27374	33.9
314.27777	2.9
315.28125	1.2
355.17456	0.3
429.21249	0.8
505.31403	0.3
505.38934	6.9
521.38440	1.9
522.38696	2.3
523.39941	100.0
524.40417	2.2
667.44049	0.7
673.39331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03921	0.5
67.05508	13.0
69.03439	2.0
69.07075	6.3
70.08585	0.7
70.08978	0.8
71.04996	2.7
71.08638	14.7
73.02912	2.3
79.05497	10.2
79.19686	0.4
81.03426	29.5
81.07063	17.2
83.04993	6.7
83.08624	14.7
85.02912	19.4
85.06510	1.2
85.10187	8.7
87.04434	1.2
89.06017	0.8
91.03962	5.5
91.05488	13.9
93.06508	0.5
93.07049	7.1
95.04392	0.5
95.04979	11.8
95.08614	13.1
97.02410	0.4
97.02902	5.2
97.06528	2.2
97.10172	4.0
99.04438	0.8
99.08085	0.7
99.11688	0.5
103.03916	0.4
105.07044	10.5
107.04984	3.4
107.08614	3.3
109.02887	0.4
109.06542	2.1
109.09484	0.5
109.10161	5.8
111.04424	1.6
111.08081	4.9
113.05973	1.1
115.03906	0.7
115.05413	0.6
117.06976	0.4
119.08595	7.9
121.06522	0.7
121.10146	4.2
122.01343	0.4
123.08045	1.2
123.11729	2.0
125.09611	0.8
127.03958	2.2
129.07008	5.3
131.08586	6.1
133.06496	0.8
133.10161	5.4
137.09586	0.9
137.13261	1.0
142.07802	1.0
143.63950	0.4
145.04976	2.1
145.10104	0.9
147.08052	1.3
147.11691	8.9
149.09630	4.6
157.10141	7.1
163.06035	2.8
165.12762	1.6
175.09770	0.8
175.11186	8.4
184.07426	1.2
193.12257	25.3
196.38728	0.4
211.13307	36.8
239.23747	1.1
249.15057	0.5
257.12207	0.4
257.24832	1.0
267.15936	17.9
268.16327	0.4
285.16986	58.2
286.17111	0.5
313.27386	62.6
314.27805	0.8
429.21307	0.6
494.37537	0.4
505.38916	15.8
517.61865	0.4
523.39990	100.0
524.40234	2.4
667.44312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76534	0.3
67.05518	0.4
70.69787	0.6
70.70129	0.3
85.17704	0.2
118.96175	0.3
124.57732	0.2
140.23720	0.2
144.07965	0.2
162.13901	0.3
204.06450	0.3
209.10687	0.4
221.10945	0.3
223.12267	0.4
225.13956	0.6
226.14717	0.2
235.12483	0.6
236.13208	0.4
237.13998	0.5
239.15471	0.4
247.12334	0.5
248.13220	0.3
249.13908	0.7
251.08214	0.5
251.11676	0.3
251.15602	0.3
261.14020	0.6
262.14743	0.3
263.15576	0.5
275.15353	0.4
277.17105	0.3
330.77277	0.3
388.20126	0.3
405.25220	0.4
415.19485	0.4
416.20203	0.3
417.21042	0.6
418.21399	0.4
427.19785	0.3
428.20197	0.3
429.21307	0.6
431.18546	0.8
431.23352	0.5
432.23489	0.4
433.24292	1.4
440.20752	0.3
442.22607	0.3
443.18454	0.9
443.22775	1.1
444.19147	0.8
444.23825	0.8
445.20374	1.7
445.24985	0.7
446.21109	0.5
454.18610	0.5
455.18576	0.8
456.19751	0.9
457.20517	2.3
458.21115	1.1
459.21698	15.9
460.22565	4.1
461.23578	2.0
468.19571	0.3
469.20547	1.1
470.21362	1.2
471.21725	5.4
472.22369	2.7
473.23297	4.2
474.24268	0.4
476.21811	0.4
483.21826	4.9
484.22711	1.9
485.23529	3.6
486.24100	0.9
487.24991	2.8
489.23218	0.5
491.24625	0.9
492.25226	1.0
499.24792	1.1
500.26657	0.4
503.24402	0.5
505.22858	0.9
513.25458	0.3
515.28076	0.4
517.22919	1.2
519.23859	2.3
520.24506	0.4
529.22870	0.7
531.23767	1.7
532.24670	1.1
533.25519	10.5
534.25989	0.3
543.24176	0.8
544.24408	0.3
545.25214	1.6
546.26178	0.4
547.27173	1.8
549.25153	0.5
557.25653	0.7
559.27112	4.7
560.24329	0.4
571.27771	0.8
573.28516	0.5
575.22510	0.4
577.24109	1.5
585.28778	0.7
591.27979	0.4
592.26819	13.4
593.27039	1.1
600.30853	0.4
601.31836	1.7
604.27063	0.7
605.27655	1.9
606.28467	1.3
615.33313	3.8
616.26532	6.7
616.34583	0.9
617.27325	3.4
617.36121	0.4
619.29163	14.8
629.34625	0.7
631.29132	0.9
633.30878	0.8
643.32843	0.9
645.31158	0.3
657.34540	0.4
659.31439	0.3
661.34216	0.8
673.34021	5.2
673.44208	0.2
675.35425	6.7
687.34814	0.3
688.37433	0.4
689.37079	2.8
700.36603	0.3
701.33984	0.4
715.34589	0.4
719.34668	0.7
733.35883	10.0
734.36798	0.3
747.37299	0.3
748.38269	6.2
749.39264	0.9
801.39221	1.3
816.41083	2.6
825.45972	1.3
885.47974	100.0
886.48053	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	885.482
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	1.1
69.03429	2.5
69.07072	0.5
70.09868	1.1
70.20394	0.4
71.01349	0.5
71.08634	1.4
73.02927	2.4
79.05508	0.8
81.03413	1.7
81.07072	1.8
83.08621	0.7
85.02904	4.2
85.10191	0.8
91.03962	2.4
91.05499	0.6
93.07065	1.5
95.04945	0.4
95.08610	2.5
97.02895	4.7
97.10192	0.3
99.04471	1.0
101.02410	1.4
104.60915	0.4
107.04964	0.4
107.08624	1.0
109.02892	0.7
109.10156	0.8
117.06966	0.3
121.10152	0.5
127.03951	1.1
135.11716	2.5
142.06694	0.4
145.10173	1.0
163.11183	3.1
181.12341	0.5
184.07413	0.4
185.04240	0.7
195.04175	0.3
203.05318	0.6
214.07291	0.3
217.37157	0.3
218.23468	0.3
219.09796	0.4
227.12770	2.9
233.52672	0.4
243.08467	2.3
245.23611	0.3
249.10997	5.4
265.52621	0.4
283.15472	0.4
305.13556	1.9
313.27548	1.0
347.09503	2.3
365.10580	0.5
405.13684	5.0
467.18921	10.9
467.25363	0.5
497.30923	6.0
523.39990	0.5
525.41040	0.5
629.24133	8.5
659.36133	6.1
723.42926	4.2
885.48163	100.0
886.48047	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	886.4644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.1
67.05507	19.7
69.03434	3.2
69.07067	4.4
69.34975	2.1
69.35400	2.3
70.06603	0.7
71.04999	3.5
73.02921	1.4
79.05498	20.0
81.03420	75.8
81.07058	18.9
83.04984	9.7
83.08621	20.8
84.08137	0.7
85.02907	14.4
85.06547	1.2
86.09684	0.8
91.03959	2.3
91.05487	23.2
93.07043	12.5
95.04970	25.2
95.08615	7.9
97.02882	4.8
97.06522	3.8
97.10171	6.4
99.08075	0.9
105.07034	18.2
107.04961	9.1
107.08603	6.7
109.02897	0.8
109.06536	4.5
109.10175	4.3
111.04441	3.1
111.08079	9.5
113.06047	0.9
113.45998	0.6
115.05443	1.7
115.99694	0.5
117.07014	3.6
119.04946	2.1
119.08582	16.2
121.06506	4.6
121.10151	9.0
123.04426	1.5
123.08072	3.2
123.11699	1.7
125.09644	5.5
127.03884	2.8
128.06158	0.8
129.07004	11.9
131.04951	1.0
131.08559	11.6
133.06500	4.7
133.10130	8.2
135.04404	1.1
135.08073	2.2
135.11682	1.6
137.05981	0.9
137.09595	2.3
141.06970	1.1
142.07796	3.0
143.08557	2.1
145.05312	0.8
145.06461	5.0
145.10156	3.7
147.04413	3.5
147.08083	4.4
147.11684	10.6
147.88530	0.7
149.09622	7.9
151.11133	0.7
153.09126	1.0
155.08556	1.4
157.06522	1.4
157.10126	12.1
158.17744	0.5
159.08095	1.3
161.05986	0.8
161.09663	0.6
163.03891	3.1
163.05988	1.1
163.11171	2.8
165.09200	0.6
165.12799	2.5
167.08543	0.8
169.06427	0.8
169.10182	1.7
171.08054	1.3
171.11676	1.6
173.09572	0.9
175.11191	12.4
177.05537	0.7
178.07704	0.6
184.07414	0.7
189.11238	1.8
189.12753	0.8
193.12254	33.9
195.11823	1.0
197.13315	1.0
199.11223	0.8
205.12276	1.5
209.11722	1.0
211.11403	0.7
211.13290	13.3
213.12660	0.9
223.11125	0.6
227.12646	1.4
229.14429	2.8
233.15378	1.2
235.13235	0.9
237.12726	1.1
249.14877	2.9
255.13823	2.5
259.13251	0.7
267.15921	100.0
268.16174	0.9
273.14874	4.8
283.15442	2.9
285.16962	11.8
289.07181	0.7
309.17038	1.2
321.22043	0.7
331.86337	0.6
339.23312	1.2
341.21210	1.9
349.21692	2.8
356.98441	0.6
357.24210	1.1
367.22668	7.5
385.23740	9.0
403.24982	2.6
415.24820	1.2
425.25507	0.7
433.25861	17.4
437.25098	1.4
441.26462	7.1
459.27432	84.1
460.27756	1.0
477.28500	54.1
491.30344	0.9
501.28400	1.4
509.26834	0.6
519.29785	2.3
537.23645	0.7
567.29852	0.7
573.30170	1.1
585.30518	2.1
603.31445	1.4
621.32367	1.5
850.43695	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	2.1
67.05508	54.9
69.03425	6.0
69.07064	10.3
69.47971	3.3
69.48377	7.2
71.04987	4.5
71.08632	1.4
73.02927	7.1
79.05496	35.6
81.03419	76.2
81.07058	54.0
83.04981	3.9
83.08623	22.5
85.02907	26.5
85.06515	2.1
88.26873	1.3
91.03957	14.8
91.05489	28.4
93.07045	44.1
95.04970	30.1
95.08603	36.3
97.02896	15.0
97.06541	3.0
97.10170	6.9
99.08110	2.6
105.07043	22.4
106.28477	1.5
106.84299	1.6
107.04952	4.8
107.08601	26.8
109.06515	4.5
109.10164	18.5
111.08094	6.7
115.03952	1.7
117.07024	8.1
119.08576	18.6
120.47553	1.6
121.06491	5.0
121.10155	21.3
123.04445	3.4
123.08035	2.8
123.11729	8.1
125.09616	4.4
127.03931	6.6
128.06293	1.6
129.07013	9.0
130.62848	1.5
131.08577	17.1
133.06477	2.7
133.10120	14.0
135.08057	2.5
135.11682	12.8
137.09616	2.6
137.13275	2.1
142.07799	2.2
143.08629	2.0
145.04993	11.0
145.10124	10.7
147.08022	4.7
147.11720	10.4
149.09610	5.2
149.13263	5.7
157.10147	6.8
159.11707	6.1
161.13306	2.4
163.06021	13.8
163.11215	3.6
163.14796	3.9
165.12697	2.5
171.11629	2.1
173.13260	5.7
175.11214	7.7
175.14850	1.9
184.07240	1.6
185.13245	1.7
187.14777	3.6
189.11237	4.3
193.12234	20.2
227.12787	6.0
235.13300	3.8
243.21109	3.8
249.14828	2.0
258.09109	2.2
259.13284	2.9
261.22168	20.4
267.15915	91.8
279.23172	2.4
299.23682	2.4
301.14365	3.1
301.25250	5.3
309.17029	7.4
313.27740	1.4
317.24820	4.3
328.41138	1.3
333.17075	1.8
335.25806	100.0
421.25607	2.1
435.27280	2.3
435.32654	4.2
453.33481	7.7
471.34769	3.1
527.37268	56.4
528.37634	3.0
545.38403	44.9
569.38531	12.1
587.40234	1.6
623.38666	2.5
626.12262	1.8
635.39233	5.2
653.40082	5.3
671.41455	3.3
788.52277	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	896.5215
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	9.6
69.03442	1.7
69.07073	4.8
69.24335	1.8
69.89858	0.2
71.01323	0.6
71.04958	0.9
71.08637	13.9
73.02924	2.4
75.04456	0.3
79.05496	4.4
81.03424	2.6
81.07061	14.9
83.05016	1.6
83.08627	10.9
85.02911	8.0
85.06564	1.3
85.10188	8.6
86.09686	0.5
86.12697	0.2
87.04421	0.5
89.06023	1.2
91.03432	0.3
91.03963	5.6
91.05489	10.6
93.07050	7.9
95.04964	1.9
95.08614	11.6
96.04461	0.4
97.02899	6.7
97.06536	1.9
97.09645	0.3
97.10176	3.4
99.00820	10.4
99.04431	0.9
99.08063	0.4
103.05457	0.6
103.07542	0.9
105.07038	7.8
107.04968	3.2
107.08604	3.6
109.02888	6.7
109.06521	1.5
109.10162	7.8
111.04413	1.2
111.08091	2.2
111.11676	0.6
113.05965	0.6
115.03936	2.3
117.07034	1.8
117.09101	0.3
119.08591	6.0
121.02872	0.3
121.06515	4.4
121.10096	0.5
123.04401	1.0
123.08032	0.7
123.11721	3.3
124.99994	0.5
127.03934	3.5
128.06192	0.8
129.06969	0.3
131.08537	0.9
133.06476	0.9
133.10138	23.4
135.08005	0.6
135.11671	1.0
137.05940	0.9
137.09575	0.7
137.13199	0.8
139.07550	2.4
141.05478	0.4
143.08575	3.4
145.04968	2.4
145.06464	0.8
145.10144	0.5
146.07207	0.3
147.04367	0.4
147.08020	0.8
151.11192	7.7
153.79425	0.3
161.09630	13.9
163.06038	3.0
163.11115	0.5
165.09094	0.6
171.08066	2.6
179.10683	8.5
184.07326	1.5
189.07405	0.4
189.09119	7.9
197.11719	1.7
207.10153	2.4
221.22517	0.3
225.11223	7.9
239.23656	1.3
243.12311	1.7
253.14299	0.3
253.39066	0.3
257.24716	2.0
267.16058	0.4
281.13849	4.0
298.27219	0.3
299.14905	100.0
300.15106	0.7
313.27380	82.5
314.27679	0.7
325.15457	0.3
337.27209	0.5
537.37903	54.0
538.38165	1.3
581.55182	0.3
671.86792	0.3
761.05878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.4
67.05505	26.4
69.03420	2.8
69.07069	11.3
71.01344	3.0
71.04981	3.1
71.08238	1.2
71.08633	23.0
73.02933	3.3
74.09692	1.0
75.80356	0.7
79.05492	15.3
81.03421	19.8
81.07059	25.9
83.01327	2.4
83.04981	12.1
83.08624	12.6
85.02903	15.6
85.06545	1.8
85.10182	13.8
86.09718	1.3
89.06024	1.7
91.03951	7.2
91.05477	11.7
93.07044	20.8
95.04959	6.2
95.08609	25.1
97.02896	13.4
97.06537	6.5
97.10178	7.0
98.20776	1.8
99.04466	2.9
99.08069	1.2
103.03886	0.6
103.07600	1.0
105.07040	6.7
107.04962	11.4
107.08592	12.0
109.02884	1.7
109.06514	3.1
109.10158	12.5
111.04447	12.8
111.08089	4.2
111.11692	1.7
113.00008	1.5
113.05983	1.2
117.07032	5.9
119.08585	9.5
121.06515	2.9
121.10139	11.2
123.08065	3.8
123.11719	3.2
125.00070	1.1
125.06000	1.1
125.09638	3.3
127.03915	3.0
129.07004	3.2
130.07826	1.0
131.08585	6.0
133.10121	2.7
135.04549	0.8
135.08061	2.4
135.11697	15.7
137.09607	1.7
137.13277	1.0
139.07518	1.2
139.11197	0.9
143.08571	0.8
145.04985	2.7
145.06502	1.7
145.10124	16.6
147.08054	2.6
147.11636	1.3
149.09610	3.4
153.12747	14.5
155.08545	2.2
163.06035	4.7
163.11188	31.0
165.09171	1.1
166.04657	0.8
173.09621	6.9
181.12242	10.9
184.07375	2.5
191.10692	14.3
209.11731	19.2
227.12773	14.8
239.23752	3.0
257.24777	2.3
265.14349	9.9
283.15408	51.3
298.83661	0.6
299.14948	3.2
300.15204	2.0
301.16455	67.1
313.27368	83.9
314.27521	3.4
337.27435	2.9
338.27744	3.2
426.71524	0.8
445.20880	1.7
503.37244	9.3
521.38403	74.9
522.38855	1.3
538.38177	1.5
539.39435	100.0
540.39679	1.2
683.43597	1.8
731.77960	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5526
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03953	0.5
65.41018	0.3
67.05508	12.0
69.03421	1.9
69.07074	6.9
69.85403	1.8
71.01343	0.5
71.04993	1.5
71.08636	19.6
73.02914	1.0
79.05492	6.4
81.03420	54.8
81.07058	16.7
83.04980	2.6
83.08620	18.3
85.02910	5.0
85.06517	0.9
85.10183	11.2
88.48306	0.3
89.06036	1.4
89.07866	0.4
89.47165	0.3
91.03953	3.4
91.05486	9.2
93.07047	4.8
95.04968	17.0
95.08611	17.4
97.02887	4.3
97.06533	1.1
97.10168	5.3
98.98469	0.5
99.04474	0.4
99.11747	0.6
103.06876	0.3
103.07595	1.5
105.07035	6.5
107.04289	0.5
107.04955	3.6
107.08627	3.1
109.02901	0.5
109.06515	2.2
109.10155	7.5
111.04436	1.4
111.08076	5.4
111.11722	0.7
115.05421	0.5
117.07024	1.0
119.04958	0.9
119.08580	8.0
121.06517	1.1
121.10149	3.9
123.04436	1.4
123.08067	1.1
123.11718	3.0
124.99973	0.4
125.09621	0.7
125.13309	0.5
127.03914	1.2
129.06999	6.6
131.08572	5.6
133.06505	2.2
133.10117	3.4
135.08054	0.8
135.11703	0.8
137.05952	0.5
137.09618	1.5
137.13290	0.9
139.11218	0.5
142.07762	1.7
143.08571	0.4
145.04962	1.7
145.10141	1.1
147.04385	0.7
147.08061	2.2
147.11691	4.6
149.09650	3.1
157.10127	6.8
163.06029	3.0
163.11188	1.2
165.12759	1.7
165.16417	0.4
171.08153	0.4
173.09688	0.5
175.11183	7.5
177.12790	0.5
184.07372	1.2
193.12247	24.0
205.12041	0.4
207.13789	0.6
211.13336	1.3
235.13318	1.2
239.23759	2.3
239.25885	0.5
249.14867	1.7
257.24832	1.7
259.13242	1.2
267.15918	100.0
268.16367	1.0
273.14914	0.9
277.14334	0.6
288.66510	0.4
301.14368	1.4
302.17029	0.4
309.16898	2.4
313.27371	99.8
314.27673	1.1
316.20627	0.4
319.15475	0.5
331.28391	0.4
333.17017	0.6
393.18823	0.7
505.38898	81.5
506.39240	1.2
523.39941	3.2
547.39941	7.2
565.41296	0.9
571.39252	0.5
589.40710	0.9
601.40948	2.7
613.40936	2.1
631.41956	2.5
649.42792	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	902.5112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.7
66.54184	0.4
66.61195	0.4
67.05509	26.5
69.03408	1.4
69.06743	0.6
69.07069	8.2
69.98476	0.4
70.58026	0.8
70.58392	0.9
71.04967	1.7
71.08619	1.0
73.02895	1.4
73.75515	0.4
77.03939	0.5
79.05497	25.6
81.03423	2.8
81.07060	30.2
82.03702	0.5
83.04970	2.5
83.08626	7.9
85.02896	2.6
85.06523	1.0
91.03935	1.9
91.05483	10.9
93.07048	37.7
95.04984	4.2
95.08611	39.1
97.02892	4.8
97.06535	3.4
97.10130	1.2
99.04451	2.9
99.08073	0.6
103.05448	0.6
105.06400	0.7
105.07040	8.6
107.04963	6.1
107.08598	25.6
109.06510	1.3
109.10161	7.8
111.04407	1.3
111.08056	1.6
113.06009	0.6
117.06237	0.5
117.07023	6.5
119.08585	10.8
121.06509	4.4
121.10147	14.2
123.08055	0.9
123.11736	2.1
125.06007	2.1
125.09605	0.8
127.03918	0.9
130.07744	1.0
131.08591	3.1
133.10138	5.6
135.08020	1.9
135.11697	38.7
136.06221	2.1
136.11902	0.4
137.13181	1.2
139.07516	1.3
145.04939	0.8
145.10132	22.2
147.11719	2.0
149.13260	2.4
159.11684	1.9
161.13260	1.5
163.05988	0.9
163.11188	47.9
173.09637	0.7
173.13245	1.8
175.14812	0.6
177.16420	0.8
181.12241	8.2
184.07314	1.4
187.14827	0.6
209.11830	1.2
227.12788	59.4
228.13060	0.6
243.21120	1.8
252.84151	0.4
261.22150	6.9
267.15869	1.4
268.16287	1.0
269.16232	0.5
283.15408	100.0
284.15741	0.7
313.27252	1.8
314.27689	1.4
315.27933	0.6
317.24826	2.1
335.25809	83.1
336.26239	1.3
407.85681	0.5
409.04196	0.4
505.39154	0.9
507.39438	1.3
543.36835	97.9
544.37427	2.3
561.37793	1.8
676.46619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
63.79733	0.4
65.03912	1.3
67.05508	34.4
69.03395	1.7
69.07072	9.0
69.56737	2.5
71.04993	2.2
71.08620	0.8
71.10110	0.4
73.02891	1.7
74.76368	0.4
77.03884	0.8
79.05497	29.2
81.03429	2.5
81.07057	35.6
83.04982	2.7
83.08626	8.7
85.02890	2.5
85.06510	1.1
91.03960	2.1
91.05485	12.9
93.07048	39.7
95.04483	0.4
95.04979	5.2
95.08611	44.7
96.32347	0.4
97.02402	0.3
97.02892	3.9
97.06535	2.8
97.10132	1.6
97.83635	0.4
98.20705	0.7
99.04465	2.9
99.08054	0.8
100.56695	0.4
103.05437	0.7
105.04502	0.9
105.07034	10.6
107.04955	4.6
107.08600	27.4
109.06519	2.2
109.09476	0.6
109.10163	10.5
111.04451	1.0
111.08022	1.1
115.05438	0.9
117.07018	7.9
119.07818	0.7
119.08585	10.4
119.68580	0.5
121.06504	3.7
121.10151	18.8
123.11710	2.8
125.05949	1.7
125.09595	0.5
127.03928	0.5
129.06972	0.5
130.07733	1.5
131.00458	0.4
131.08595	5.3
133.10127	6.5
135.08034	1.5
135.11699	38.1
136.06129	0.5
137.09613	0.5
137.13217	1.1
139.07500	1.3
143.08524	0.6
145.10124	24.0
147.11670	2.3
149.13278	3.0
153.12677	0.6
155.08525	0.5
159.11702	2.7
161.13269	2.2
163.11191	45.3
163.14798	0.9
173.09512	0.5
173.13255	1.5
175.14799	0.7
177.16325	0.5
181.12221	7.9
184.07288	1.2
187.14775	1.1
193.12158	0.5
201.16380	0.8
207.22083	0.4
209.11674	0.9
227.12791	46.1
243.21127	1.7
261.22131	8.2
268.16296	0.6
283.15408	55.9
284.15982	0.6
311.82504	0.4
313.27454	1.3
314.27661	0.7
317.24753	1.2
335.25803	98.8
336.26279	1.4
344.18304	0.5
506.39142	0.4
507.39447	0.5
543.36847	100.0
544.37225	1.6
561.38049	0.9
676.46619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.7
67.05508	34.4
69.03418	2.1
69.07069	9.0
71.01356	0.7
71.04983	3.3
71.53131	0.8
73.02919	2.1
79.05497	26.2
81.03423	28.5
81.07058	38.0
83.04980	6.9
83.08155	0.9
83.08623	14.7
84.50768	0.6
85.02911	18.6
85.06535	1.8
85.08002	0.6
86.09695	2.5
91.03959	4.8
91.04906	1.1
91.05481	24.6
93.07048	27.1
93.07637	1.4
95.04964	12.4
95.07990	1.3
95.08604	24.5
97.02899	6.3
97.06527	2.7
97.10173	4.6
99.08113	0.7
105.07034	15.8
107.04957	3.7
107.08593	15.1
109.06512	2.6
109.10149	11.3
111.04437	1.8
111.08097	5.1
113.06004	1.7
115.05465	1.0
117.07017	4.7
119.04930	1.0
119.08582	12.7
121.06537	1.4
121.10144	11.6
123.08057	2.1
123.11726	3.7
125.00011	1.0
125.09651	1.4
127.03893	1.6
129.07030	6.1
131.08565	10.1
133.06476	1.5
133.10126	10.5
135.11710	6.5
137.09648	1.3
142.07794	2.1
143.08580	0.9
145.04967	2.2
145.10135	3.8
147.08012	1.3
147.11673	10.1
148.08455	0.7
149.09648	3.8
149.13330	3.5
151.11232	0.8
157.10156	7.3
159.11707	2.5
161.13280	3.1
163.06088	3.2
163.07274	0.7
163.11288	0.9
163.14839	1.9
165.12807	1.6
173.13263	2.7
175.11176	8.1
175.14801	1.4
184.07358	6.3
193.12247	20.3
201.16498	0.7
211.13295	27.8
212.97740	0.7
227.12830	1.4
229.14342	1.2
229.43367	0.7
243.21100	2.7
261.22177	7.1
267.15921	8.3
285.16974	36.5
301.25406	1.0
317.24835	1.5
335.25809	58.4
435.32266	1.2
453.33701	1.1
471.34790	1.3
527.37311	13.1
545.38397	100.0
546.38654	1.9
563.39392	1.7
689.42645	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5268
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.8
67.05511	30.4
69.03432	3.0
69.07073	7.6
70.94960	1.5
71.05000	3.7
73.02911	1.9
79.05498	22.1
81.02938	0.9
81.03421	26.0
81.07061	32.0
83.04983	7.2
83.08624	10.8
83.58282	0.6
85.02910	18.2
85.06495	0.7
86.09686	1.5
87.62897	0.6
91.03954	6.0
91.05489	22.4
93.07052	27.7
95.04974	10.1
95.08614	21.6
97.02896	6.1
97.06541	3.1
97.10162	3.0
99.08108	0.9
104.10756	0.9
105.04539	1.2
105.07035	16.0
105.44736	0.7
107.04966	2.8
107.08598	12.9
109.06541	2.6
109.10162	9.2
111.08079	4.9
113.06017	1.6
117.07021	3.7
119.08585	12.6
121.06534	1.0
121.10159	13.7
123.08104	1.5
123.11703	3.3
125.00005	1.6
125.09606	0.8
127.03937	2.6
129.07018	6.7
131.08563	9.1
133.06540	1.8
133.10141	8.2
133.65044	0.6
135.11685	6.6
137.09621	1.3
139.11157	0.5
142.07797	1.2
143.08513	0.8
145.04945	1.6
145.10114	4.5
147.08092	1.6
147.11699	10.3
149.09624	3.5
149.13286	2.7
151.81377	0.6
157.10136	7.3
159.11734	2.2
160.06427	0.7
161.13284	1.5
163.06027	1.5
163.11168	1.3
163.14836	1.2
165.12817	2.0
173.13324	1.9
175.11217	7.6
184.07391	6.9
187.14967	0.7
193.10443	1.0
193.12254	21.3
211.13301	24.7
214.87454	0.6
227.12712	0.6
229.14458	1.0
243.21133	1.9
256.88760	0.6
261.22147	6.1
267.15921	9.1
277.21521	0.7
283.15518	0.6
284.27368	0.6
285.16983	39.0
301.25412	0.9
317.24857	1.7
335.25821	56.8
336.25806	0.8
337.27011	0.7
435.32440	1.9
453.33453	1.7
509.36328	0.8
516.21075	0.8
520.35004	0.8
527.37268	11.9
545.38397	100.0
546.38715	2.5
555.23004	0.7
563.39075	0.8
689.42218	0.8
731.61151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	2.5
67.05498	3.1
67.14336	0.7
69.03417	1.2
69.17045	5.0
69.17472	2.9
70.06589	1.2
71.05001	1.1
77.17992	0.8
79.05494	6.4
80.05009	1.4
81.03423	6.5
81.07053	3.0
83.08620	1.4
89.03937	1.4
91.05496	5.4
92.05008	1.1
93.07055	5.6
94.06576	5.1
95.04960	3.5
95.08601	2.5
96.08109	1.0
97.06530	1.6
97.10147	1.9
103.05488	3.1
105.05790	1.3
105.07061	1.5
106.06541	1.4
107.04960	2.4
107.07356	1.0
107.08613	1.0
108.04442	0.9
108.08116	12.6
109.06532	1.9
110.09677	0.8
111.08071	1.3
116.04980	6.5
118.06547	2.6
119.08575	1.4
120.04469	6.1
120.08112	26.3
121.06494	1.1
121.10144	1.5
122.06034	22.9
123.08053	0.9
124.07591	3.5
125.09579	1.6
126.26593	0.7
129.06944	1.5
131.08559	1.4
132.03174	0.8
132.08116	1.2
133.10085	0.8
134.06021	4.9
136.07590	27.3
138.05525	3.2
138.09105	2.4
144.04459	13.7
144.08118	0.9
146.06035	10.8
148.07582	61.9
150.05472	1.0
150.09137	2.5
152.07082	2.5
158.09647	1.0
160.03947	3.0
160.07550	0.9
162.05513	8.0
162.09132	1.0
163.03885	1.0
164.07095	6.0
166.08638	4.7
172.03938	61.8
174.05493	3.3
176.07089	7.4
178.05025	2.6
182.09570	1.0
184.09802	0.8
186.05499	1.5
186.09163	1.1
188.07097	1.9
190.04997	28.3
190.08652	1.2
192.06642	1.4
193.12260	2.5
194.08167	2.0
197.10777	1.9
198.11502	1.4
199.12332	2.7
204.06570	100.0
205.06921	1.0
205.14380	0.9
206.08115	2.8
208.09799	1.7
209.10881	1.7
210.09264	1.3
210.11452	0.8
211.08734	1.6
211.12297	2.3
212.09386	1.9
216.06563	1.0
219.09160	0.9
220.69450	0.7
221.10732	1.6
222.11597	0.7
223.08704	1.7
223.12320	3.4
224.09193	1.6
225.10204	6.4
225.13705	0.9
226.11032	2.0
227.11769	11.4
232.06221	1.0
233.10713	1.4
234.07498	1.4
235.08586	2.3
236.09459	2.7
237.10260	5.7
238.11093	2.4
239.08247	0.9
239.11758	3.3
241.13370	1.2
244.06047	1.1
245.98421	0.7
246.07869	1.0
248.09294	0.9
249.10257	6.0
250.07169	1.0
250.10953	2.6
251.08110	2.1
251.11792	9.2
252.08688	10.7
252.12489	1.2
253.09845	4.8
253.13326	3.1
254.10489	1.0
255.11301	14.5
259.09604	0.9
261.10315	1.8
262.11017	2.2
263.08234	1.4
263.11789	4.8
264.08951	6.2
264.12271	0.9
265.09711	9.6
265.13455	1.8
266.10538	6.3
267.11343	9.4
267.15790	5.8
268.16190	1.8
269.12897	6.2
271.10834	5.1
273.12363	3.2
275.11829	1.9
276.09048	1.5
276.12576	1.0
277.09793	6.6
278.10397	5.0
279.08133	0.8
279.11298	23.0
280.12100	4.1
281.09515	1.1
281.12781	11.4
281.58316	0.9
283.10861	3.4
284.11578	2.1
285.12390	6.3
287.13922	8.9
289.09662	1.7
291.11218	5.4
293.09229	10.9
293.12793	3.8
294.09979	2.4
295.10751	4.3
295.13782	0.8
296.11652	1.4
297.12311	7.4
299.14072	1.9
301.09665	1.0
303.11337	1.4
305.09183	3.5
305.12662	1.2
306.10007	3.6
307.10840	17.5
309.12332	11.9
311.10391	1.6
311.14017	2.8
313.12021	1.1
315.13605	1.4
319.10764	2.7
321.12341	10.4
322.09293	3.0
322.12924	0.9
323.10355	8.2
323.13962	1.6
324.07379	1.3
324.11008	1.7
325.11841	9.7
326.12289	0.9
327.13449	3.5
330.16235	1.2
331.10611	1.3
333.12286	1.1
335.10300	2.3
336.07025	0.9
337.11758	4.3
338.08768	1.3
339.10284	1.1
339.13425	28.6
340.10269	2.5
340.14178	1.7
341.11279	1.6
341.15036	2.3
342.12515	1.8
343.13177	2.1
344.13916	1.0
347.10278	1.6
349.11929	1.4
351.13666	0.9
352.10611	0.9
353.11246	2.7
353.15198	1.1
354.12152	1.6
354.16174	0.9
355.13651	1.1
356.13876	2.3
356.17844	1.2
357.14670	1.7
358.15396	2.6
359.12628	3.8
365.11142	3.7
366.12009	2.1
366.16199	1.2
367.13104	4.6
367.22644	1.7
368.13782	0.9
369.14511	1.3
369.18677	1.0
370.15390	2.5
378.18506	0.9
380.13791	1.0
381.14035	0.9
383.12473	1.9
384.13336	2.9
385.13956	9.4
385.23489	2.1
386.14801	4.9
386.23904	1.0
387.15579	1.6
388.16531	2.0
390.18384	1.0
393.10703	2.6
394.15363	1.2
397.13986	1.3
398.14899	5.4
399.16068	5.0
400.16599	9.8
401.17136	1.1
402.17847	1.2
404.15961	2.2
411.11890	29.1
412.16473	2.2
413.13400	3.5
414.18066	3.3
415.14920	1.8
416.15945	5.3
418.17560	1.0
422.16232	0.9
427.15067	1.2
428.15683	1.6
429.12570	4.1
430.17432	2.8
432.19400	1.5
440.16431	4.4
441.26340	1.0
443.14481	21.4
444.19821	1.1
445.16110	9.6
446.16580	1.7
447.18063	1.3
448.18643	1.8
451.11044	1.0
453.12878	2.0
458.17087	6.4
459.17691	1.4
459.27444	9.7
460.18643	2.9
460.27866	5.6
463.17480	0.9
472.18845	1.6
474.20193	2.6
477.28436	6.7
478.28824	7.5
488.21417	1.2
490.19635	1.2
495.13919	0.9
495.29587	1.0
511.13507	1.6
513.14819	1.6
523.13501	1.1
528.17438	1.2
541.14764	4.0
548.20032	1.7
564.19263	1.4
565.24121	2.3
576.19672	2.0
578.21338	1.1
593.23853	4.5
604.19452	3.9
605.19653	2.4
608.22089	1.2
611.24866	5.0
616.19153	9.4
634.20416	2.3
646.20343	1.7
653.26270	5.6
654.26782	1.4
679.23468	2.9
685.22485	3.2
697.25031	55.6
698.25958	12.7
699.26642	4.6
707.23431	1.6
723.26019	2.8
729.27686	5.7
730.28320	3.5
731.27881	1.2
733.21448	4.4
734.22058	1.2
750.21478	12.7
751.23938	17.6
752.22522	2.9
765.23352	3.1
766.23975	1.2
769.26678	1.5
782.23712	2.5
783.24463	3.1
789.23047	1.9
813.24670	0.8
837.25006	1.2
855.27240	10.0
873.27881	7.8
887.30011	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	20.2
67.29350	0.5
69.06732	0.8
69.07069	10.1
70.06578	1.0
71.53841	0.8
79.05495	6.7
81.07057	23.7
83.08141	0.8
83.08608	5.5
85.06505	0.8
85.10172	0.6
86.09687	0.7
91.05466	3.8
93.07048	7.5
95.08610	19.2
97.06540	1.2
97.10172	2.8
98.06089	1.0
98.98471	6.7
105.07038	3.3
107.08595	5.7
109.10158	7.5
111.11681	0.8
119.08574	2.3
120.08037	0.8
121.10143	4.3
122.00182	0.6
123.11690	2.7
124.01580	1.8
131.08595	0.7
133.10129	2.7
135.11693	3.1
137.13263	1.6
142.02641	1.8
147.11697	1.8
148.90221	0.5
149.13263	1.1
149.66776	0.6
151.14801	0.8
155.01073	4.7
161.13263	1.4
163.14819	1.7
165.16386	0.6
173.02145	1.4
175.14746	0.8
177.12672	0.6
184.07387	1.2
198.05263	1.7
208.89752	0.7
212.90430	0.6
216.06352	3.6
245.22653	1.9
252.53516	0.7
263.23663	5.1
306.27850	9.7
319.26364	0.8
335.25760	1.9
336.26257	1.2
337.27374	100.0
338.27759	4.4
417.24002	4.0
460.28226	39.4
478.29315	61.6
479.29715	1.1
906.35889	0.7
910.47626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	11.1
69.03403	1.4
69.07073	5.1
70.18711	1.9
71.04959	1.3
71.08639	16.2
73.02883	1.5
79.05492	6.3
81.03423	52.9
81.07059	13.9
83.04994	2.9
83.08623	18.1
83.93432	0.5
85.02909	4.6
85.06522	1.0
85.10187	11.9
89.06019	1.0
91.03969	3.3
91.05488	8.3
93.07039	5.3
95.04399	0.9
95.04972	15.7
95.08614	14.4
97.02901	3.8
97.06498	1.5
97.10155	3.8
99.08076	0.5
99.11713	0.7
103.07558	0.6
105.07037	6.1
107.04945	3.3
107.08630	3.1
109.06494	1.7
109.09507	0.5
109.10165	7.0
111.04423	1.5
111.08088	4.4
111.11671	1.2
115.05465	0.9
117.06989	1.0
119.04963	0.6
119.07823	0.6
119.08588	7.2
121.06454	1.9
121.10142	3.7
123.04378	1.3
123.08033	1.2
123.11697	2.3
125.09586	0.9
127.03867	0.9
129.07021	5.4
131.08553	4.7
133.06496	2.2
133.10138	2.8
137.09584	0.9
137.13269	1.1
142.07765	1.2
145.04962	1.3
145.10126	1.6
147.04382	1.0
147.08038	2.1
147.11705	4.1
149.09599	3.1
157.10130	6.8
163.05959	3.4
163.11160	1.7
165.12733	1.2
175.11211	6.5
193.12259	20.1
205.12253	0.6
207.13664	0.5
211.13281	1.6
235.13237	1.7
239.23686	2.0
249.14764	1.5
257.24759	1.9
259.13269	1.6
267.15924	100.0
268.16272	1.1
273.14975	0.9
301.14279	1.4
309.17181	2.8
313.27377	99.5
314.27701	1.2
319.15216	0.7
333.16953	0.6
375.17596	0.8
411.20663	0.5
439.09976	0.5
446.72250	0.5
505.38910	86.0
506.39279	1.0
523.40112	3.5
547.40039	7.1
555.40729	1.4
565.40839	1.0
589.40955	1.8
601.41077	2.7
613.40790	1.9
631.42059	2.6
649.42816	1.1
848.79675	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04231	0.6
67.05510	12.8
69.03402	1.9
69.07067	6.7
71.01344	0.6
71.04992	1.5
71.08634	19.0
71.53567	0.5
73.02898	1.2
79.05499	7.9
81.03420	53.6
81.07058	16.2
83.04999	3.2
83.08618	17.7
85.02902	5.7
85.06555	0.7
85.10182	11.6
89.06004	0.9
91.03951	3.4
91.04974	0.8
91.05482	9.1
93.07043	5.7
95.04375	0.9
95.04973	15.4
95.08604	18.1
97.02892	4.6
97.06504	1.7
97.10169	5.6
99.08070	0.7
103.07550	1.1
105.06396	0.7
105.07024	6.9
107.04945	4.3
107.08559	2.4
109.06512	1.5
109.09494	0.7
109.10156	8.4
111.04438	1.2
111.08102	5.4
111.11736	1.0
117.07038	1.3
119.08590	8.5
121.06483	2.1
121.10159	4.1
121.10878	1.0
123.04400	1.7
123.08044	1.6
123.11710	2.8
125.09618	0.7
127.03864	1.8
129.07019	6.1
131.08585	5.6
133.06461	2.1
133.10118	4.1
135.11684	1.8
137.05887	0.8
137.09534	0.7
137.13229	1.3
142.07793	1.2
143.08585	0.8
145.04922	1.0
145.10104	1.6
147.08043	1.9
147.11697	5.3
149.09608	4.4
151.14906	0.8
157.10156	7.7
163.06027	2.6
163.11172	1.9
165.12769	1.7
175.11218	7.6
184.07347	0.8
193.12253	21.7
193.49020	0.7
211.13261	1.4
228.60767	0.7
235.13293	1.3
239.23666	1.9
249.14835	1.2
257.24716	2.0
259.13239	1.5
267.15921	100.0
268.16202	0.8
273.14734	1.1
301.14297	1.4
309.16977	2.6
313.27377	94.4
314.27707	1.4
319.15210	0.9
327.28870	4.1
335.25769	1.3
393.19055	1.1
396.04968	0.6
505.38901	84.9
506.39163	1.4
519.40320	2.9
523.39923	3.9
547.40033	5.2
555.40393	2.6
565.40790	0.8
589.40405	0.8
601.41003	2.4
613.41217	1.7
616.30835	0.6
631.41669	1.7
649.43225	1.7
729.78680	0.7
875.37708	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5481
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.2
67.05511	40.2
69.03453	2.7
69.06692	0.6
69.07072	11.4
71.01345	1.0
71.04985	2.5
71.08640	21.1
71.52534	0.5
71.52924	0.7
73.02914	2.3
75.04476	0.7
79.05499	14.0
81.03430	4.4
81.07065	23.0
83.04985	3.8
83.08154	1.0
83.08626	17.1
85.02911	18.9
85.06532	1.7
85.10190	12.1
87.04472	5.2
89.06013	0.9
91.03970	2.9
91.05485	6.1
93.07043	4.1
95.04949	2.0
95.08614	21.5
97.02874	4.7
97.06522	1.4
97.10178	21.4
99.04469	0.9
99.11728	0.8
103.03934	1.8
103.07592	0.9
105.07046	2.1
107.04948	2.0
107.08593	8.3
109.02827	0.9
109.06518	0.6
109.10164	36.0
111.08090	1.1
111.11707	0.8
117.07008	0.8
119.08577	3.2
119.61579	0.5
121.10107	1.8
123.08035	0.9
123.11709	2.2
125.08771	1.1
125.09643	16.8
127.03923	2.0
131.08566	1.0
133.10132	0.9
135.11697	1.7
137.09605	1.7
137.13287	1.1
143.10699	3.1
145.04977	1.0
145.10127	2.0
149.09636	0.7
153.12776	1.6
155.10712	2.1
163.06067	1.3
163.11192	3.0
173.09602	1.2
173.11763	8.3
181.12216	1.1
184.07378	1.0
191.10686	1.6
198.67422	0.5
199.13303	12.1
209.11691	3.1
215.47264	0.6
227.12819	15.2
229.14371	44.9
239.23703	4.8
240.63004	0.6
257.13849	0.8
257.24789	1.4
265.14163	0.8
267.15991	2.7
283.15344	4.7
301.16483	40.3
313.27386	100.0
314.27686	1.4
319.17557	1.9
328.29254	0.8
331.28482	0.8
341.27011	3.0
397.29773	0.7
399.86102	0.6
437.36218	7.2
445.88467	0.6
455.37411	19.7
463.22113	0.8
463.62408	0.7
467.37381	25.8
505.38831	1.2
521.38574	1.7
527.26093	0.6
539.39441	20.9
557.40582	9.0
701.44647	1.7
716.56488	0.7
898.49701	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5478
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.0
65.94369	0.5
67.05509	43.7
68.34148	0.4
69.03439	2.9
69.07072	10.0
69.54495	0.4
71.01343	1.7
71.04997	2.2
71.08637	21.2
71.53591	0.6
73.02933	2.9
75.04477	1.0
79.05496	12.7
81.03424	4.5
81.07062	24.9
83.05001	2.6
83.08155	0.9
83.08628	17.7
85.02906	19.1
85.06537	1.8
85.10188	13.6
87.04469	4.9
89.06033	1.2
91.03954	5.2
91.05488	5.4
93.07059	5.6
95.04961	1.6
95.08611	21.3
97.02895	6.9
97.06536	2.0
97.10178	18.4
99.04459	1.0
99.08089	0.8
101.02387	0.5
103.03927	1.1
103.07563	0.9
105.04470	0.5
105.07037	1.8
107.04958	1.4
107.08609	8.6
109.02888	1.0
109.06498	0.8
109.10162	39.1
110.66647	0.5
111.04453	1.2
111.08112	2.5
111.11724	0.8
111.27722	0.6
117.07013	1.2
119.08581	3.4
121.10174	2.9
123.08069	0.7
123.11739	2.9
125.09639	14.8
127.03912	1.8
129.06998	0.8
131.08546	1.1
133.10156	1.0
135.11728	2.3
137.09612	2.1
137.13248	1.7
143.10666	2.6
145.04987	1.9
145.10152	1.5
147.08012	0.6
147.11528	0.5
149.09489	0.6
153.12762	0.9
155.00940	0.5
155.08702	0.5
155.10678	2.9
157.10242	0.5
163.06044	2.5
163.11218	3.0
173.09641	0.7
173.10132	0.6
173.11761	10.0
181.12234	0.8
191.10707	1.1
193.12331	0.6
199.11433	0.8
199.13287	11.2
209.11819	2.5
217.14432	0.7
227.12801	5.2
229.14368	53.3
239.23679	3.7
257.13770	1.7
257.24759	1.9
265.14294	0.8
267.16025	2.5
269.84094	0.5
283.15375	3.3
299.14886	1.0
301.16483	26.9
311.25858	0.8
313.27380	100.0
314.27994	2.2
319.17551	0.6
341.26950	1.4
393.75510	0.5
437.36453	5.1
455.37390	15.5
463.21686	1.2
467.37344	33.4
505.38824	1.9
521.38171	1.4
539.39429	17.3
557.40381	3.3
701.44238	1.4
835.88776	0.6
952.17432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	0.7
67.05508	37.7
69.03427	2.0
69.06731	0.6
69.07069	7.6
69.54043	0.8
69.54454	1.4
71.01337	1.1
71.04993	1.8
71.08636	15.9
73.02907	2.0
75.04456	0.4
79.05077	0.7
79.05495	9.7
81.03419	3.4
81.07059	18.7
83.04987	2.6
83.08157	0.6
83.08624	11.7
85.02908	15.3
85.06527	1.5
85.10186	9.2
87.04472	3.7
89.06040	0.9
91.03947	4.2
91.05490	4.2
93.07050	4.4
95.04955	1.1
95.08611	17.6
97.02894	4.7
97.06517	1.4
97.10175	15.4
98.20844	0.8
98.98460	0.5
99.04456	0.8
99.11729	0.5
101.06013	0.4
103.03947	1.0
103.07591	1.7
105.07018	1.4
107.04945	1.2
107.08599	6.3
109.06583	0.4
109.10162	33.0
111.04390	0.4
111.08063	1.1
111.11715	0.6
117.06990	1.2
117.09167	0.4
119.08604	2.6
121.06509	0.5
121.10155	1.5
123.08092	0.7
123.11688	2.5
125.09641	11.9
127.03905	1.6
129.05527	0.4
131.08578	0.8
133.10170	0.8
135.11702	1.3
137.09587	1.6
137.13231	0.6
143.10680	3.1
145.04955	2.6
145.10114	1.3
147.08020	0.5
147.11620	0.4
149.09566	0.4
153.12723	0.8
155.10660	2.1
159.13782	0.4
160.11198	0.5
163.06001	1.6
163.11237	1.8
170.98955	0.4
173.09589	0.5
173.11749	9.2
181.12263	1.0
189.11345	0.5
191.10663	1.1
193.12213	0.7
199.13295	11.0
209.11693	2.5
217.14415	1.5
227.12814	5.5
229.14362	56.9
230.14563	0.4
239.23662	3.2
242.66058	0.3
245.13824	0.5
252.63953	0.4
257.13773	1.3
257.24756	1.9
265.14322	0.8
267.15936	2.3
283.15451	3.8
297.16962	0.7
299.14767	0.8
300.15335	0.5
301.16467	27.9
311.25946	0.8
313.27371	100.0
314.27722	1.6
319.17557	0.6
331.28458	0.5
335.25723	0.9
341.27017	2.1
346.52576	0.4
350.61902	0.4
437.36279	6.3
455.37350	14.0
463.21606	1.1
467.37369	35.8
468.37674	0.6
472.65305	0.4
503.37607	0.7
505.38751	1.5
521.38391	2.0
538.37848	0.4
539.39447	16.8
540.40143	0.7
557.40277	3.4
701.44391	1.5
882.25537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13917	0.7
65.03941	1.8
67.05504	37.7
69.03428	2.0
69.06731	0.9
69.07068	10.5
71.01344	1.9
71.04981	1.8
71.08630	0.7
71.53291	1.3
72.25243	0.9
73.02909	3.2
76.82862	0.8
79.05493	23.8
81.03417	4.0
81.07056	42.5
83.04980	3.5
83.08624	12.5
85.02909	12.1
85.06533	2.2
87.04474	0.8
91.03960	6.4
91.04904	1.2
91.05481	26.2
93.07044	35.9
93.14843	0.8
95.04944	4.5
95.08605	30.1
97.02893	9.1
97.06540	3.8
97.10175	3.2
98.98466	1.0
99.00803	11.4
99.04420	1.2
99.08099	1.4
101.02370	0.8
103.05463	1.2
105.07036	19.5
107.04975	5.3
107.08592	22.5
109.02879	7.8
109.06516	2.8
109.10161	16.9
111.08098	4.4
115.03915	2.3
117.07021	3.3
119.08584	14.8
121.02892	0.8
121.06498	5.8
121.10149	13.6
123.04420	1.3
123.08051	2.0
123.11703	7.0
125.09644	0.8
127.03942	5.5
128.06258	1.0
131.08557	7.9
133.06516	1.4
133.09120	1.6
133.10127	31.1
135.08067	1.5
135.11693	9.1
137.05951	0.8
137.09656	1.1
137.13222	1.7
139.07616	2.0
143.08510	4.6
145.04962	3.2
145.06429	1.0
145.10138	6.9
147.11707	3.9
149.09557	0.8
149.13292	5.9
151.11165	9.9
159.11705	3.2
161.09624	14.5
161.13281	4.3
163.06017	4.5
163.07236	0.8
163.11209	2.0
163.14835	2.6
171.08083	3.5
173.13277	3.8
175.14786	0.8
179.10655	7.7
180.08649	1.2
181.12164	0.9
184.07378	1.6
187.14903	1.4
189.09113	7.7
197.11711	1.6
207.10197	2.7
223.16939	1.0
225.11235	9.5
227.12798	1.5
243.12291	2.6
243.21118	6.1
261.22150	20.7
277.21698	1.9
281.13831	3.4
299.14890	99.6
311.25723	6.7
312.26120	6.9
315.23260	3.6
317.24741	3.4
333.24298	0.8
335.25793	100.0
341.55942	0.8
421.31653	0.9
439.32187	1.0
449.30396	1.7
457.32831	1.1
467.31528	5.1
485.32764	5.5
513.35681	4.5
515.37195	2.6
523.33929	1.2
530.50354	0.9
531.36627	3.5
541.35168	18.9
559.36304	72.3
577.37341	3.3
609.23138	0.8
662.60760	0.8
699.85742	1.0
783.29980	1.1
930.80542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	2.1
67.05511	39.3
69.03448	3.4
69.03754	1.0
69.06745	0.9
69.07072	11.0
69.35311	5.1
71.01323	1.9
71.04970	2.1
71.08633	0.9
73.02912	3.2
79.05498	28.0
81.03436	3.7
81.07061	44.6
83.04961	2.3
83.08171	0.6
83.08623	11.6
85.02911	12.4
85.06518	2.0
91.03944	7.2
91.04919	1.1
91.05486	25.2
93.07048	33.6
95.04979	3.9
95.08616	28.6
97.02898	9.5
97.06528	3.9
97.10176	3.6
97.10683	0.6
98.98485	0.6
99.00217	0.8
99.00822	10.9
99.04472	1.4
99.08072	1.3
103.05451	1.0
105.07039	19.4
107.04961	4.3
107.07902	1.2
107.08602	21.7
109.02893	8.5
109.06499	1.9
109.10163	17.9
111.04426	1.3
111.08092	3.7
113.06010	1.1
113.09638	0.7
115.03922	3.1
117.07039	5.1
119.07836	0.8
119.08595	12.7
121.06512	5.1
121.09344	0.9
121.10150	13.6
123.04446	1.4
123.08060	2.3
123.11707	6.8
125.09631	1.2
127.03936	4.0
128.06183	1.0
129.06987	1.0
131.08591	8.5
133.06425	1.0
133.10136	35.5
135.08047	1.6
135.11700	11.4
137.09566	1.5
137.13274	1.7
139.07530	2.8
143.08563	5.0
145.04968	3.5
145.06009	0.6
145.10150	5.4
147.04395	0.7
147.08034	0.9
147.11670	4.1
148.68117	0.6
149.09605	1.1
149.13261	5.8
151.11191	10.2
159.11710	4.5
161.09636	14.7
161.13263	4.3
163.05994	3.6
163.11147	1.1
163.14795	2.8
165.12704	0.8
171.08064	3.4
173.13234	3.6
175.14813	1.4
177.16370	1.0
179.10703	8.7
185.13184	0.8
187.14833	2.0
189.09157	6.6
189.10878	1.0
197.11757	2.9
197.13304	0.6
207.10153	3.3
215.53221	0.6
225.11205	9.4
227.12679	1.2
233.22766	0.7
243.12315	2.5
243.21075	7.3
250.50809	0.6
259.20609	0.9
261.22168	22.0
277.21594	2.2
281.13806	2.9
283.15405	1.0
287.23788	1.1
299.14908	100.0
300.15195	1.0
311.25751	5.7
312.26108	3.2
315.23181	3.6
317.24646	3.7
335.25818	98.3
336.26105	1.3
402.37106	0.6
421.31342	1.4
423.32822	0.8
449.30750	2.1
457.32886	0.9
467.31522	5.3
485.32550	4.6
513.35693	5.5
515.37360	2.7
523.34021	1.0
531.37061	4.0
531.43915	0.8
533.38464	0.8
541.35217	16.7
559.36340	68.6
560.36566	1.4
577.37439	4.4
710.89917	0.6
828.48364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03940	3.9
67.05508	68.5
69.03421	4.8
69.07075	17.3
71.04974	4.3
71.53228	1.9
73.02906	2.5
77.03888	1.6
79.05496	48.0
80.47585	1.1
81.03422	84.7
81.07059	66.5
83.04993	7.9
83.08619	21.6
85.02914	10.2
85.06545	3.3
91.03966	6.4
91.05481	43.1
93.07049	56.4
93.07643	2.9
95.04976	30.9
95.08611	49.3
97.02904	8.7
97.06530	4.3
97.10196	8.4
99.08091	1.7
105.04510	1.5
105.07034	32.6
107.04955	9.6
107.08603	31.4
109.06512	5.4
109.10167	24.3
110.10477	1.6
111.04414	1.9
111.08076	10.2
115.05445	3.0
117.07011	10.1
119.08584	28.1
121.06483	4.8
121.10152	29.2
122.20858	1.2
123.04461	1.4
123.08060	4.0
123.11700	6.5
125.09654	6.6
127.03895	3.6
129.07005	10.5
131.08575	22.5
133.06470	3.4
133.10136	18.0
135.08052	4.0
135.11700	16.5
137.09610	4.4
137.13271	2.7
139.11195	1.6
142.07791	4.8
143.08589	3.9
145.05011	2.8
145.06438	1.6
145.10139	11.9
147.04344	1.5
147.08052	4.4
147.11702	14.9
149.09666	6.5
149.13275	9.1
157.10143	12.2
159.11736	8.7
161.13258	7.9
163.06024	5.5
163.11238	3.2
163.14799	4.7
165.12764	3.0
169.10103	1.9
171.11638	2.9
173.09543	1.2
173.13254	8.7
175.11194	11.4
175.14827	3.8
177.12717	1.8
177.16444	1.5
184.07333	1.6
187.14832	3.8
189.11189	5.0
193.12268	23.2
195.11867	1.2
195.13800	1.4
201.16412	1.6
205.12151	1.6
227.12778	9.2
235.13396	3.7
243.21103	8.5
249.14987	2.0
259.13269	1.5
259.20462	1.4
261.22147	20.0
267.15930	99.8
268.16180	1.4
268.48349	1.5
273.14914	1.5
277.21753	1.5
285.16705	1.5
299.23666	1.8
301.22278	1.3
301.25250	8.2
302.16776	1.6
303.23172	1.4
309.17001	5.5
315.23355	1.6
317.24692	4.5
333.24249	2.9
335.25815	100.0
336.26172	3.6
337.27261	2.9
359.25693	1.7
403.25430	1.4
417.31659	1.4
421.25778	4.5
435.27753	2.9
435.32492	6.2
453.33655	9.8
471.34851	6.5
475.30594	1.7
491.34958	2.1
509.36191	3.4
527.37354	79.7
528.37506	2.9
545.38385	96.5
546.38434	2.5
563.39465	7.0
569.38477	11.7
587.39417	2.4
611.39337	3.3
623.39520	3.5
635.39478	5.8
653.40363	4.4
671.41113	3.9
922.47571	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	929.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	0.2
67.05509	4.3
69.07072	17.2
69.24162	1.0
71.04999	0.1
71.08635	4.9
73.02924	0.2
73.06544	0.2
75.04449	0.2
79.05495	2.5
81.07057	5.7
83.04982	0.4
83.08620	16.2
85.06561	0.2
85.10181	2.2
91.05491	0.6
93.06478	0.2
93.07047	3.3
95.08611	4.3
97.06538	1.7
97.10173	12.0
98.98470	5.7
99.08064	0.1
101.06005	0.2
101.94198	0.1
105.07046	0.3
107.08601	2.2
109.10163	1.7
111.08082	0.9
111.11727	3.3
113.00021	1.9
115.07561	0.2
119.08611	0.3
121.10153	3.4
123.11725	0.7
125.09658	0.7
125.13237	0.8
129.05530	0.2
130.32193	0.1
131.08601	0.2
133.10127	0.4
135.11694	2.1
137.13257	0.3
139.11169	0.5
145.10165	0.2
147.11757	0.2
149.13274	1.1
153.12729	0.3
155.01060	2.5
163.14816	0.6
163.75162	0.1
169.02605	1.1
173.02103	0.7
173.13179	0.1
177.16432	0.2
181.15820	0.1
187.03583	0.2
219.21109	0.6
229.04726	0.3
237.22110	0.5
243.21042	0.2
247.05817	0.7
261.22110	0.5
289.54620	0.1
311.25800	100.0
312.26126	1.1
335.25806	6.8
391.22168	0.3
447.25095	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	932.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03960	1.3
67.05508	30.7
69.03447	1.7
69.07067	8.9
69.07410	0.6
71.05006	1.1
71.08635	15.4
73.02917	3.3
79.05498	16.6
81.03448	0.7
81.07059	34.4
83.08624	9.4
83.09117	0.5
85.02905	13.6
85.06577	1.1
85.10185	9.1
85.10667	0.7
89.06065	1.2
91.03960	9.4
91.04525	0.5
91.05478	9.7
93.07050	22.8
95.04994	1.4
95.08613	33.3
96.04499	0.5
97.02890	7.9
97.06569	1.4
97.10175	3.4
98.20706	1.1
99.04477	0.8
99.08099	0.7
103.07574	1.1
105.06384	0.9
105.07043	6.6
105.07713	0.7
107.08601	13.2
107.09305	0.8
109.02898	0.7
109.06562	1.0
109.10162	16.7
111.08115	0.5
111.11729	0.7
115.03945	0.7
117.07030	3.3
117.09200	0.5
119.08589	7.0
121.10148	11.3
122.77813	0.4
123.11706	6.9
127.03935	4.4
131.08563	6.9
133.10124	4.5
135.11693	8.1
137.09660	0.6
137.13278	2.7
143.08635	0.6
145.04977	5.3
145.10126	5.1
147.11699	4.3
149.13274	5.5
151.14816	1.0
153.12753	0.8
159.11684	4.3
161.13274	3.1
161.84959	0.4
163.06035	7.2
163.14845	3.2
173.13258	4.2
175.14903	1.1
177.09137	0.4
177.16431	1.4
187.14885	2.9
189.16360	0.5
201.16409	0.9
233.22647	0.8
239.23741	3.3
243.21082	8.9
257.24835	1.2
261.22150	37.0
277.21918	0.5
279.23154	0.7
299.23718	0.8
313.27377	100.0
314.27707	0.6
317.24823	5.8
335.25806	82.4
336.26086	1.2
410.98505	0.6
464.23874	0.6
497.30255	0.6
499.45120	1.0
573.48810	44.8
574.48865	0.6
591.49896	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	936.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	0.7
67.05509	12.6
69.03407	0.6
69.07072	5.2
69.84802	1.4
71.04977	0.6
71.08633	10.0
73.50777	0.3
78.00330	0.3
79.05492	8.5
81.03419	12.4
81.07056	14.0
83.04951	1.1
83.08619	7.1
85.02901	1.5
85.06499	0.4
85.10187	6.7
86.09647	0.3
89.06003	0.7
90.89732	0.3
91.03945	0.7
91.05480	6.2
93.06500	0.5
93.07045	7.9
95.04382	0.4
95.04967	4.4
95.08612	14.1
97.02862	1.5
97.06485	1.0
97.10178	3.2
98.20771	0.4
98.98470	4.4
102.30299	0.3
103.07536	0.3
105.06389	0.5
105.07031	5.2
107.04915	1.3
107.08601	5.0
108.02180	0.3
109.10159	7.1
109.16666	0.3
111.08037	1.2
111.11715	0.6
117.07015	1.6
119.04822	0.3
119.08591	4.8
121.06472	0.7
121.10147	4.0
123.04375	0.4
123.08048	0.5
123.11711	2.5
124.01560	1.3
125.00004	0.4
125.09618	0.6
126.98714	0.3
129.06993	1.9
131.08583	3.3
133.06490	0.6
133.10121	2.3
135.07999	0.4
135.11700	2.5
137.09593	0.6
137.13225	0.8
142.02618	1.1
143.08507	0.5
145.04947	0.5
145.10106	2.6
147.08009	0.8
147.11719	2.6
149.09598	0.8
149.13284	1.6
149.14241	0.3
151.14835	0.4
155.01050	5.0
157.10117	1.9
159.11649	1.3
161.13217	0.8
163.05997	1.1
163.11154	0.3
163.14787	0.9
171.11682	0.7
173.02115	0.6
173.13223	1.0
175.11125	1.6
175.14772	0.5
184.07310	0.8
185.13315	0.4
187.14781	0.6
189.11232	0.6
189.12740	0.4
191.32504	0.3
193.12270	2.9
198.05222	1.5
205.21893	0.4
211.13274	0.5
216.06325	2.7
227.12749	1.0
235.13271	0.7
239.23703	1.3
243.21022	0.9
256.44687	0.3
261.22165	4.1
267.15930	16.7
282.27921	12.5
299.23346	0.3
301.14334	0.5
301.25247	1.1
301.92615	0.4
309.16949	1.0
309.31345	0.3
313.27371	100.0
314.27689	1.1
317.16086	0.5
317.24872	0.4
335.25818	18.1
336.25790	0.3
393.24014	8.3
404.07727	0.3
421.25891	0.8
435.27283	0.4
435.32651	0.6
436.28253	33.5
437.28616	0.5
453.33636	1.7
454.29309	42.7
455.29489	0.4
471.34714	0.8
509.36285	0.5
527.37366	13.2
545.38379	16.1
546.38593	0.5
559.40082	0.5
569.38593	2.1
623.39551	0.6
635.39020	0.8
653.40387	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.6
67.05509	32.2
69.03413	1.1
69.07075	11.7
69.15533	3.7
69.15966	4.5
71.04994	1.5
73.02889	1.1
73.44748	0.7
76.68629	0.7
77.03914	1.4
79.05496	30.7
79.85520	0.8
81.03413	1.4
81.07056	30.1
83.04976	1.9
83.08627	7.4
85.02876	1.4
85.06544	1.4
89.54425	0.8
91.05485	34.8
93.07048	30.8
93.07639	1.5
95.04974	3.2
95.08616	27.0
96.59506	0.9
97.02905	1.5
97.06529	2.7
97.10145	2.4
99.08096	1.0
103.05462	1.2
105.04499	0.9
105.07036	35.1
107.04980	1.2
107.08591	19.9
109.06492	1.3
109.10160	8.2
111.08104	1.6
115.05432	2.4
117.07025	17.7
119.08584	24.7
121.06535	1.2
121.10149	12.6
123.08064	1.3
123.11667	2.2
125.09661	1.1
128.06206	3.1
129.07010	11.5
131.08577	18.1
133.10149	16.4
135.11690	8.0
136.36151	0.8
137.13298	1.4
141.06969	3.9
142.07773	2.2
143.08585	12.6
144.09312	1.6
145.06464	1.0
145.10141	19.5
147.11685	12.4
149.13246	4.1
153.06967	1.3
154.07759	1.1
155.08560	6.7
156.09334	1.5
157.10147	10.2
159.11700	12.8
161.13274	6.3
163.14804	1.7
165.07002	1.1
166.07806	1.5
167.08542	2.5
169.10129	8.0
171.11703	9.6
173.13324	7.6
175.11163	1.0
175.14764	3.1
179.08527	1.3
181.10121	5.7
183.11705	10.3
184.07335	1.4
185.13290	8.1
187.11160	1.7
187.14824	3.2
189.16322	1.3
193.10130	1.1
195.11685	4.3
197.13283	7.9
199.14850	5.1
201.12767	0.9
201.16350	2.2
203.17932	1.5
207.11746	1.1
209.13251	3.7
211.14732	4.4
213.16405	3.8
215.18103	1.4
221.13318	1.3
223.14824	3.7
225.16365	2.0
235.14960	1.4
237.16455	2.3
239.17928	3.3
241.19678	1.4
251.17990	1.8
257.19040	4.5
259.20517	3.7
261.22217	1.6
273.22220	0.9
279.21188	1.1
297.22116	0.9
309.21902	1.4
311.23718	1.5
322.12909	0.9
323.23630	1.7
327.23270	1.2
331.22705	1.3
333.24304	4.6
335.25745	2.8
351.26776	1.9
353.28668	0.9
367.26205	1.2
381.27527	1.1
387.28922	0.9
391.29797	1.1
407.29202	1.0
409.30756	1.3
461.34296	1.0
473.32813	1.5
475.34967	0.9
493.33145	1.1
501.35617	1.9
513.35815	1.0
515.37030	1.1
517.40680	9.5
521.36133	2.0
527.37366	2.2
535.41522	5.6
539.37286	3.5
541.39154	1.1
591.44073	8.0
609.45135	100.0
610.45374	1.6
621.44562	1.0
717.47089	1.1
735.48376	1.2
753.49109	1.2
771.50604	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	937.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21566	0.3
67.05518	1.7
69.03435	2.5
70.63770	0.7
70.64125	0.3
71.01364	0.6
71.08647	0.8
73.02914	3.5
73.03255	0.4
79.05515	1.0
81.03421	1.7
81.07055	1.9
83.08632	0.6
85.02912	4.9
85.10211	0.7
91.03958	3.1
91.05511	0.9
93.07076	1.3
95.08625	1.6
95.18884	0.3
97.02898	4.6
99.04484	0.9
101.02396	2.0
103.03965	0.4
105.07069	0.5
107.08636	0.6
109.02882	0.8
109.10199	0.9
121.10159	0.7
127.03897	1.7
152.91919	0.3
155.70738	0.3
184.33044	0.3
185.04335	1.1
203.05382	1.0
216.14636	0.3
243.08580	1.4
313.27509	0.5
335.26053	0.6
347.09692	2.4
363.09442	0.3
365.10861	1.1
405.13702	6.0
405.18655	0.5
471.80255	0.4
497.30893	4.0
519.29376	6.0
659.36182	4.3
681.34589	6.8
775.53198	1.5
937.58612	100.0
938.58698	3.5
970.35956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5595
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	2.6
68.25961	0.4
69.03422	2.0
69.07082	0.7
71.04987	0.5
73.02917	2.8
79.05501	2.7
81.03445	0.8
81.07065	2.7
85.02914	2.2
86.07069	0.5
91.03942	2.5
91.05473	3.1
93.07050	3.2
95.08622	2.4
97.02893	2.7
98.21530	1.2
99.04475	1.0
101.02377	1.0
105.07040	3.5
106.96004	0.4
107.08601	1.4
109.02876	0.7
117.07051	0.5
119.08604	2.2
121.10170	1.0
127.03976	0.6
129.07028	0.5
131.08577	1.1
133.10182	1.4
135.11763	0.9
147.11684	1.0
149.13303	0.8
157.40517	0.5
159.11780	0.7
161.13304	0.5
164.80443	0.5
171.11726	0.7
185.04312	0.8
185.13327	0.6
243.08350	2.7
317.20938	0.9
333.24713	0.5
465.21143	0.6
517.27759	6.5
535.28912	5.1
589.29578	0.9
602.70740	0.5
811.49670	100.0
812.49500	2.6
862.84924	0.5
941.55908	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	947.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	41.7
68.52761	0.4
69.03429	0.8
69.06731	0.8
69.07074	9.3
69.52685	0.4
70.65556	0.4
71.04983	1.0
71.08631	0.9
71.52308	0.4
71.52715	0.7
73.02898	0.7
75.04488	0.5
77.03899	0.6
79.05496	25.3
80.11440	0.4
81.03400	0.8
81.07060	47.3
82.07418	0.4
83.01254	0.4
83.04992	1.1
83.08622	4.7
85.02898	1.4
85.06541	1.7
89.03702	0.4
91.03953	0.7
91.05486	14.4
93.07050	35.0
95.04986	2.4
95.08611	42.1
97.02894	1.1
97.06537	2.7
97.10178	1.9
98.98471	31.8
99.08105	1.4
105.04520	0.6
105.07032	10.2
107.03334	0.4
107.08601	19.3
109.06495	0.9
109.10161	19.8
111.08104	1.2
111.11736	0.6
112.08629	0.4
113.09655	1.1
117.07034	4.0
119.08593	9.5
121.10151	19.5
122.86137	0.4
123.08096	1.4
123.11703	8.7
125.09656	0.5
127.03880	0.5
129.05481	1.0
129.07045	0.7
131.08575	9.4
133.10143	7.6
135.07979	0.7
135.11691	14.4
137.09619	1.3
137.13252	3.1
139.11172	0.9
140.01096	0.8
145.10118	7.2
147.11679	5.7
149.09628	0.7
149.13261	10.8
151.11186	1.1
151.14821	1.2
155.01051	6.4
159.11691	6.5
161.13286	5.9
163.11227	1.0
163.14822	6.4
165.12784	1.5
165.16444	0.6
173.02130	6.5
173.13275	7.3
175.14876	2.2
177.12753	1.2
177.16385	3.2
179.14316	1.5
184.07312	0.5
185.13251	0.4
187.14847	4.5
189.16458	0.4
191.14323	1.1
201.16400	1.1
205.15875	1.1
215.18045	0.6
219.21124	0.5
220.51099	0.4
233.18959	0.5
233.22684	1.5
243.21095	16.5
261.22156	47.9
279.23239	2.1
291.23209	0.6
299.23709	0.5
317.24857	2.7
317.28189	0.6
330.02231	0.4
335.25812	100.0
336.26019	1.2
349.90228	0.4
353.26895	9.9
377.73108	0.5
415.22549	1.8
433.23502	1.2
497.31149	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	952.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.3
69.07067	1.4
71.07378	5.5
71.52606	0.8
77.47858	0.5
79.05486	1.2
81.07072	2.7
83.08641	0.8
86.09711	49.1
91.05448	0.6
91.24533	0.4
93.07019	1.0
93.52175	0.5
95.08627	2.5
98.98483	3.5
104.10749	99.6
105.07069	0.5
107.08633	0.8
109.10184	0.8
121.10169	0.8
121.49982	0.5
125.00012	28.6
147.28787	0.5
149.02338	1.6
184.07352	99.3
193.04977	2.0
275.28995	0.6
337.27319	1.7
385.09381	0.5
430.83832	0.5
502.33060	8.1
520.34015	100.0
521.34326	1.8
943.41339	0.6
970.64838	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6154
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	63.7
69.03413	3.0
69.06732	1.1
69.07072	15.2
69.07444	0.5
69.20576	5.8
70.13190	0.7
71.04991	1.8
73.02909	3.5
79.05498	43.3
81.03403	2.0
81.07059	64.4
83.04967	1.8
83.08625	10.2
85.02907	15.6
85.06530	1.7
91.03960	11.0
91.05485	30.9
92.43624	0.7
93.07049	49.3
95.04997	3.6
95.08613	50.2
96.04482	0.8
97.02898	8.4
97.06513	3.9
97.10162	2.8
99.04427	1.0
99.08100	1.9
104.88748	0.6
105.04523	2.7
105.07033	26.7
107.04981	0.9
107.07878	1.5
107.08600	28.3
109.06544	1.1
109.10159	24.1
111.08065	1.9
115.05434	1.5
117.07024	10.6
119.08586	22.4
121.10143	24.0
123.04398	0.9
123.08081	0.8
123.11715	9.8
125.09623	1.4
127.03929	3.9
129.07033	3.4
130.07788	1.2
131.08578	15.8
133.09122	1.0
133.10141	18.7
135.08057	1.1
135.10690	1.5
135.11702	18.3
137.13251	3.5
139.11206	0.9
142.07841	0.7
143.08600	3.5
145.05002	5.6
145.10126	12.3
147.11691	13.7
149.09621	1.5
149.13275	10.8
151.11153	1.1
151.14783	1.1
155.08545	1.7
157.10159	3.5
159.11711	13.2
161.13269	8.6
163.06026	9.5
163.11223	1.2
163.14806	5.4
169.10133	1.7
171.11690	3.6
173.13287	8.7
175.14839	4.4
177.12694	1.0
177.16411	1.3
179.14194	1.0
181.10094	0.8
183.11722	2.9
185.13217	3.9
187.14803	3.6
189.16408	1.9
191.17958	0.7
194.09447	0.7
195.11659	0.8
195.13701	0.9
197.13316	1.7
199.14847	2.1
201.16483	1.8
203.17949	1.2
205.15869	0.8
211.14745	1.3
213.14680	0.7
213.16556	1.0
215.17996	1.5
217.19455	0.8
231.20956	1.4
232.93193	0.9
239.17935	1.2
241.19699	4.6
243.21063	6.2
247.20544	0.9
257.19040	1.5
259.20590	10.7
261.22147	19.1
263.23758	1.7
273.22107	0.9
275.20007	1.7
279.23206	0.9
299.23785	0.9
315.23172	2.0
317.24792	3.3
327.26703	0.8
333.24249	10.4
335.25818	100.0
336.26202	1.4
337.27405	13.8
343.26471	1.0
437.34088	0.8
489.36035	0.8
497.31439	1.0
521.43469	2.9
539.44324	1.3
543.39825	1.0
591.43939	0.9
595.47223	20.1
613.48267	31.1
614.48578	0.8
705.94720	0.7
771.55896	0.8
785.56110	1.1
789.56622	1.7
803.57434	2.2
883.64099	3.5
901.65460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05186	0.2
67.05505	3.0
69.07071	16.3
70.06569	0.2
70.92206	0.2
71.02357	0.4
71.08632	4.6
76.03386	0.2
79.05497	1.3
81.06607	0.2
81.07063	4.1
82.08462	0.2
83.04995	0.4
83.08620	15.2
85.06529	0.2
85.10177	2.0
91.05489	0.4
93.07039	2.3
95.08614	2.6
97.06534	1.4
97.10171	11.4
98.98469	5.6
101.06023	0.3
105.07041	0.3
107.08580	1.4
109.10175	1.1
111.08105	1.0
111.11724	3.5
119.08601	0.3
120.08052	0.2
121.10146	2.6
123.11692	0.7
125.09618	0.6
125.13267	0.6
135.11702	1.9
137.13266	0.4
139.11159	0.3
140.99463	0.4
149.13278	1.0
153.12762	0.2
155.01050	2.6
161.13303	0.2
163.14827	0.6
171.68211	0.2
173.02083	0.7
177.16373	0.2
197.02180	0.5
219.21127	0.4
229.04659	0.3
237.22162	0.5
247.05748	0.5
311.25803	100.0
312.26138	1.3
334.94748	0.2
337.27347	2.6
378.08670	0.2
424.84085	0.2
447.25137	4.8
461.51517	0.2
465.26120	0.2
504.99304	0.2
634.76959	0.2
742.76062	0.2
959.43903	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	960.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	19.5
69.07076	9.7
70.25414	0.3
70.97725	0.9
71.04970	0.7
71.08618	0.8
71.86548	0.3
79.05493	6.0
81.07059	23.6
83.04972	0.7
83.08626	5.7
84.29543	0.3
85.06532	0.4
85.10146	0.5
91.05003	0.3
91.05490	3.8
93.07047	7.2
94.74014	0.4
95.04959	0.5
95.08613	17.6
97.06496	1.4
97.10181	3.4
98.06024	1.4
98.98473	7.4
99.08062	0.8
105.07045	2.2
107.08607	5.4
109.09486	0.5
109.10159	7.2
111.08034	0.6
111.11639	0.7
119.08584	3.0
121.09472	0.4
121.10159	3.8
123.08025	0.4
123.11717	2.8
124.01628	1.9
131.08533	0.5
133.10149	2.9
135.11694	2.3
137.09587	0.5
137.13242	1.9
142.02620	1.1
147.11702	1.8
149.13220	1.2
151.14839	0.8
153.12750	0.4
155.01053	4.7
159.11743	0.4
161.13226	1.5
163.14784	0.9
165.16316	0.5
173.02077	1.3
175.14771	1.0
177.16397	0.7
178.97728	0.3
184.07315	0.6
189.16301	0.6
198.05263	1.8
215.88737	0.3
216.06345	3.9
245.22644	1.8
263.23776	5.2
294.77524	0.4
306.27939	11.4
311.25745	2.5
312.26114	1.7
319.26294	0.5
337.27377	100.0
338.27731	1.0
343.84567	0.4
362.71292	0.4
417.24078	5.2
460.28241	40.8
461.28665	0.5
478.29327	54.9
479.29807	1.1
592.77405	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.6204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	44.7
67.22067	1.2
67.60410	1.4
69.03437	7.2
69.07073	19.2
69.17474	13.7
71.05004	2.8
71.08640	28.0
71.33935	1.2
73.02919	4.0
74.56245	1.3
79.05497	31.8
81.03426	8.2
81.07059	57.5
83.04996	9.9
83.08628	19.1
85.02907	11.2
85.06556	2.6
85.10193	18.2
86.09742	1.4
86.55307	1.2
87.79190	1.3
91.03958	4.4
91.05485	29.7
93.07050	37.2
95.04969	6.3
95.08613	38.5
97.02924	9.5
97.06527	8.9
97.10176	10.5
98.21555	3.0
99.04483	1.7
99.08102	2.5
103.05502	1.7
105.04520	2.3
105.07042	21.6
107.04964	6.7
107.08610	22.3
107.22405	1.3
109.02903	2.2
109.06515	5.6
109.10172	21.3
111.08104	4.4
115.05479	1.4
115.66485	1.3
117.07047	11.6
119.08600	17.4
121.06533	3.1
121.10137	9.7
123.04472	1.3
123.08109	2.0
123.11729	7.1
125.09652	2.1
127.03939	6.0
128.06201	1.3
129.05499	1.8
129.07051	4.1
131.08591	15.5
133.10136	14.0
135.08095	3.2
135.11716	12.3
137.09641	2.5
137.13246	2.0
141.07054	1.4
143.08559	3.8
145.04926	1.5
145.06511	1.5
145.10121	10.0
147.08101	1.8
147.11641	7.2
149.09633	8.8
149.13257	8.5
157.10138	4.7
159.11731	11.1
161.09656	1.8
161.13300	2.1
163.11235	4.7
169.10202	1.6
171.11644	1.9
173.04451	3.7
173.13293	4.5
177.12735	4.1
179.14284	2.0
183.11667	2.9
184.07370	3.5
185.13281	2.0
189.16510	1.8
195.13864	3.6
197.13231	1.7
199.14894	1.9
217.15883	2.8
227.12834	5.8
229.14395	4.5
229.19618	2.1
239.17909	2.6
239.23802	2.8
247.20627	1.7
251.16771	1.4
255.15970	11.2
257.19055	7.9
257.24646	2.8
261.14731	1.7
267.16058	1.8
269.17484	35.5
275.20108	27.5
289.06067	1.3
291.19437	4.0
293.20978	2.7
309.20615	4.1
313.27386	100.0
331.22626	3.8
339.17963	1.7
349.23718	30.6
367.24765	5.5
413.21893	2.8
467.37277	6.0
493.38904	17.6
507.40457	84.5
508.40598	2.2
521.41498	1.5
547.43701	16.5
587.46686	49.8
605.47949	14.7
651.44141	4.1
749.51532	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	965.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.4
69.07070	15.4
70.65657	0.2
70.65989	0.2
71.05000	0.2
71.08633	4.1
73.02905	0.1
73.06555	0.2
75.04488	0.1
79.05492	1.6
81.07056	3.5
81.07534	0.2
83.04979	0.4
83.08618	16.3
85.06551	0.2
85.10184	2.3
91.05473	0.2
93.06473	0.2
93.07047	2.4
95.08611	2.7
97.06535	1.6
97.10172	12.4
98.98466	5.8
99.08076	0.1
101.06018	0.2
107.08598	1.9
109.10163	1.0
111.08081	1.0
111.11723	3.7
115.11228	0.1
118.00732	0.1
121.10145	2.7
123.11729	0.5
125.09622	0.7
125.13261	0.6
129.05562	0.1
135.11691	1.9
136.99982	0.2
137.13239	0.5
139.11186	0.4
139.14856	0.2
149.13260	0.9
151.14864	0.1
153.12720	0.2
155.01045	2.5
157.06691	0.1
163.14830	0.4
167.14265	0.2
173.02040	0.8
177.16371	0.2
177.88535	0.1
181.15855	0.2
219.21132	0.4
229.04680	0.4
237.22141	0.7
247.05751	0.8
255.46965	0.1
274.56616	0.1
279.80011	0.1
311.25800	100.0
312.26135	1.5
391.22217	0.2
447.25101	5.0
465.25946	0.3
855.75421	0.1
988.10730	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	965.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	2.0
69.07069	15.8
69.54891	0.6
71.04994	0.2
71.08237	0.2
71.08632	4.5
73.02927	0.2
73.06573	0.1
75.04480	0.2
79.05494	1.5
79.69641	0.1
81.06583	0.2
81.07058	3.2
83.04989	0.5
83.08618	15.2
85.06548	0.2
85.10182	2.0
85.91904	0.1
86.64925	0.1
91.05493	0.2
93.07037	2.1
95.08609	2.5
97.06537	1.7
97.10169	12.0
98.98467	5.9
101.05986	0.2
101.50299	0.1
105.07052	0.1
107.08593	1.9
109.10158	0.9
111.08092	0.8
111.11723	3.3
116.99514	0.1
121.10145	2.6
123.11723	0.5
125.09650	0.7
125.13282	0.7
135.11693	1.8
137.00008	0.3
137.13261	0.4
139.11221	0.5
139.14885	0.2
149.13261	0.8
153.12790	0.3
155.01042	2.7
163.14867	0.5
167.14371	0.1
173.02080	0.8
177.16393	0.1
193.02702	0.1
211.03700	0.1
219.21046	0.5
229.04643	0.3
237.22121	0.7
247.05833	0.6
311.25797	100.0
312.26178	1.3
391.22278	0.4
447.25076	5.0
465.25919	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
67.73318	1.0
69.03408	3.5
69.07067	22.7
69.56666	4.6
69.57069	1.9
71.04978	2.7
73.02914	6.5
73.25558	1.1
77.03912	1.9
79.05494	63.7
81.03394	3.5
81.07056	73.9
83.04964	3.4
83.08617	11.6
85.02905	15.7
85.06525	3.1
87.04486	1.6
91.03956	11.5
91.05481	66.9
91.30537	1.0
93.07043	78.0
95.04981	6.8
95.08607	62.4
95.09116	0.8
95.09251	1.1
97.02885	9.7
97.06513	5.2
97.10188	4.7
98.20823	1.1
99.04424	1.3
99.08080	2.6
103.05418	1.6
105.04485	3.1
105.07033	60.9
106.09869	1.0
107.04951	2.5
107.07877	2.2
107.08596	40.6
109.06489	3.4
109.10155	24.7
111.08089	1.9
111.11693	1.0
115.05434	2.2
115.92388	1.0
117.06232	1.6
117.07016	23.2
119.08584	54.0
121.10146	38.5
123.08051	4.1
123.11692	7.3
125.09651	1.8
127.03915	5.4
128.06236	1.8
129.07014	10.0
130.07790	1.5
131.07597	2.0
131.08565	31.9
133.10132	44.1
135.08034	2.3
135.10698	1.7
135.11696	25.5
137.09593	1.8
137.13287	1.6
139.11148	1.1
141.06999	2.7
142.07755	2.2
143.08574	10.7
145.04984	6.3
145.05983	0.9
145.09073	1.9
145.10130	26.9
147.11690	33.6
149.09598	2.3
149.13278	12.6
152.39859	1.0
155.08499	3.2
157.10126	10.3
159.11684	25.6
161.09615	1.1
161.13258	24.5
163.06012	9.6
163.11101	1.6
163.14799	6.8
169.10121	4.1
171.11691	11.5
173.09601	1.0
173.13249	16.3
175.14853	10.7
177.12703	2.1
177.16389	2.0
181.10132	1.7
183.11707	3.9
185.13231	11.7
187.14789	6.7
189.16405	2.4
195.11612	2.7
197.13234	2.7
199.14859	6.6
201.16385	3.2
203.17848	1.3
211.14844	1.6
213.16406	4.7
215.17941	1.7
217.15787	1.5
217.19460	1.2
223.14909	1.3
225.16312	1.2
229.19499	2.0
231.21022	3.7
237.16264	1.4
239.17882	3.0
241.17337	1.2
241.19554	22.9
243.21078	4.2
257.19016	7.0
259.20575	59.1
261.22144	10.8
271.20557	2.4
275.20175	2.1
277.21664	1.8
299.23645	1.4
301.21603	1.8
313.21722	1.2
315.23273	5.2
325.25171	1.1
331.22650	4.4
333.24225	48.3
335.25809	84.9
336.26187	2.1
337.27420	7.7
351.25522	2.8
365.28571	1.1
367.22607	2.2
385.23480	1.6
459.27234	1.6
475.33835	1.2
489.35983	1.6
501.41360	1.5
503.37115	1.9
515.37213	1.3
519.42035	7.5
537.43298	2.7
541.39063	1.9
542.39655	1.4
593.45673	16.1
611.46735	100.0
612.46759	2.0
623.46100	2.1
635.45471	1.1
647.47156	1.4
677.46893	2.2
701.47809	4.6
719.48254	3.5
737.50195	5.1
755.50555	3.6
942.63501	1.2
970.57849	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	978.6043
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07058	0.5
69.30902	2.2
71.07377	4.9
71.08626	1.7
81.07059	0.6
83.08612	0.6
85.10178	1.3
85.20640	0.3
86.09708	45.8
87.10066	0.3
95.08612	1.0
98.98478	3.0
104.10748	94.8
105.11099	0.4
109.10140	0.3
123.17153	0.3
125.00011	24.5
163.01570	0.8
181.02708	0.5
184.07346	100.0
185.07648	0.5
258.11099	1.0
313.27328	2.5
419.25662	0.8
456.23810	0.3
478.32956	10.2
496.33994	99.2
497.34134	2.0
519.66791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.605
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	8.1
69.07069	21.1
69.49014	5.8
71.04980	3.3
71.08632	0.8
72.74354	0.7
73.02898	2.6
77.03907	1.0
79.05492	57.4
81.03412	8.7
81.07053	74.5
83.04967	6.3
83.08619	9.7
85.02901	11.5
85.06532	3.8
86.09715	1.3
91.03957	4.4
91.05478	49.3
93.07040	64.9
95.04967	8.3
95.08606	50.8
97.02894	9.1
97.06516	9.2
97.10175	5.5
99.04443	2.2
99.08062	1.8
103.03970	0.9
103.05486	1.0
103.51057	0.7
105.04520	2.5
105.07027	34.5
107.04956	4.9
107.08595	36.6
109.02887	2.0
109.06525	5.4
109.10152	25.9
111.04362	0.8
111.08088	4.0
113.09644	1.4
115.05436	2.6
117.07019	15.5
119.08578	30.7
121.06487	2.8
121.10143	23.5
121.91103	0.8
123.08098	3.9
123.11720	5.4
123.12458	0.9
125.09583	4.9
127.03920	5.2
128.06241	1.1
129.05487	2.0
129.07005	6.4
131.08571	23.5
133.06514	1.7
133.10129	22.1
135.08044	3.5
135.11690	14.4
137.09584	3.1
137.13231	1.9
139.11198	0.9
140.90070	0.8
141.07005	2.0
143.08580	8.1
145.04915	2.4
145.10127	17.5
147.08080	2.0
147.11685	13.2
149.09631	6.3
149.13234	10.4
151.11093	1.6
153.12772	0.9
155.08549	2.4
157.10144	6.5
159.11687	16.0
160.64828	0.8
161.09555	1.6
161.13249	7.0
163.05998	2.2
163.11176	3.5
163.14807	1.9
165.12811	1.1
167.08485	1.5
169.10141	2.8
171.11694	4.0
173.04440	3.3
173.11781	2.2
173.13268	9.5
175.11166	1.5
175.14816	2.5
177.12718	3.3
179.48012	0.8
181.10141	1.2
183.11659	3.8
184.07346	2.6
185.13255	4.9
187.14796	3.1
189.11183	1.2
189.16295	1.4
191.14268	1.2
195.11768	1.1
195.13779	2.9
197.13210	3.0
199.14806	2.3
201.16380	1.9
203.14293	1.3
213.12865	0.9
215.14377	1.0
215.17857	1.1
217.15822	2.2
219.17416	3.6
227.12791	4.8
229.14284	10.3
229.19418	1.6
235.16856	2.2
239.18082	4.1
243.21080	3.6
247.20485	2.2
255.15932	2.5
257.18985	8.3
259.20596	2.6
261.22162	11.8
267.15964	2.3
269.17450	16.7
275.20074	26.4
277.21582	2.2
283.19101	2.6
291.19522	3.0
293.21158	2.4
296.73846	0.8
309.20572	9.5
314.27322	1.0
317.24811	2.6
331.22638	2.8
333.24191	3.0
335.25790	100.0
337.26990	1.4
349.23734	29.7
351.25235	2.4
365.23688	1.0
367.24734	4.3
411.39236	0.9
413.21613	1.4
489.35794	9.4
491.10165	1.0
493.27637	1.0
505.34869	1.3
511.38351	1.3
515.37335	6.8
517.40485	1.1
529.38867	55.1
530.39130	1.1
543.40222	4.5
551.40479	1.5
553.42255	1.2
555.40656	1.5
569.41998	32.9
609.45105	43.6
610.45404	1.1
627.36835	1.0
627.46271	14.7
673.43225	2.0
729.72998	0.9
735.48322	1.2
753.48163	1.5
771.50061	2.1
833.95941	0.9
909.75903	0.9
986.57098	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	991.5528
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07072	21.1
71.04987	0.6
71.08637	3.4
71.52669	0.3
79.05497	5.5
81.07063	23.2
83.04970	1.2
83.08625	19.1
85.06526	0.8
85.10199	2.0
91.05483	3.5
93.06491	0.5
93.07048	6.2
95.04961	0.4
95.08615	16.1
97.06537	2.9
97.10177	13.0
98.98475	9.0
99.08099	0.5
104.10722	0.3
105.07018	2.5
107.08605	4.5
108.35883	0.3
109.06574	0.4
109.10161	5.9
111.08089	1.4
111.11725	3.1
113.09654	0.4
119.08591	1.9
120.55429	0.3
121.10154	4.1
123.11704	2.5
125.09619	1.0
125.13238	1.1
129.05463	0.3
133.10135	2.7
135.11720	3.0
135.13969	0.3
137.09578	0.4
137.13246	1.1
139.11108	0.5
140.10532	0.3
147.11700	1.7
149.13263	1.5
151.14813	0.4
153.12723	0.3
155.01044	3.9
161.13292	0.9
163.14842	1.2
173.02165	1.4
174.49876	0.3
175.14825	0.5
177.16348	0.4
184.07349	0.6
215.68892	0.3
219.21196	0.6
229.04630	0.4
237.22113	0.4
245.22665	0.6
247.05852	1.0
263.23721	1.0
311.25812	92.0
312.26111	2.5
335.25912	0.5
336.26147	0.7
337.27383	100.0
338.27753	1.8
383.61420	0.3
391.22293	0.4
447.25150	4.2
473.26892	1.4
529.29138	0.3
679.03961	0.4
786.47766	0.4
991.54004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07082	0.1
69.26252	0.5
70.06612	0.1
71.07378	2.1
79.05500	0.2
80.97421	0.1
81.07058	0.3
86.09708	25.4
91.05447	0.1
93.07037	0.2
95.08596	0.2
96.98901	0.1
97.10152	0.1
98.98466	2.1
99.26029	0.1
101.88522	0.1
102.77291	0.1
104.10749	2.5
105.07051	0.1
105.36333	0.1
109.10153	0.1
115.10538	0.1
121.10145	0.1
125.00008	17.1
157.30748	0.1
184.07346	100.0
185.07692	0.3
198.54066	0.1
258.11148	0.2
335.25836	0.2
376.43222	0.1
500.31393	2.0
518.32452	25.6
519.32776	0.5
674.65912	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	997.6254
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07079	0.2
70.06610	0.1
70.12531	0.2
71.07374	2.5
79.05485	0.1
80.97423	0.1
81.07047	0.4
83.08646	0.1
86.09705	28.2
87.10042	0.1
91.05482	0.1
93.07041	0.1
95.08604	0.3
98.98461	2.4
104.10741	2.9
105.07063	0.0
107.08596	0.1
109.10153	0.1
119.08593	0.1
119.91048	0.0
123.11738	0.0
125.00003	19.9
126.00364	0.1
143.01073	0.1
163.01616	0.1
166.02704	0.1
184.07335	100.0
185.07700	0.3
258.11145	0.1
337.27313	0.2
338.27759	0.0
434.60336	0.0
447.89163	0.0
476.72705	0.0
502.32938	1.9
520.33972	24.6
521.34357	0.4
523.10565	0.0
558.75702	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	997.6259
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07074	1.0
70.06594	0.3
71.06988	0.2
71.07381	4.5
71.52766	0.2
79.05492	0.7
81.07061	2.5
83.08615	0.5
86.09711	43.2
87.10067	0.2
91.05505	0.5
93.07044	1.1
95.08598	1.5
97.10171	0.2
98.98470	2.7
104.10750	81.0
105.07013	0.3
105.11086	0.4
107.08581	0.4
109.10179	0.7
119.08573	0.2
121.10136	0.3
125.00011	24.4
133.10123	0.2
135.11784	0.3
136.07841	0.2
143.00990	0.2
163.01561	0.7
181.02637	0.3
184.07350	90.5
185.07707	0.6
191.40990	0.1
197.92793	0.2
199.03587	0.2
204.12636	0.2
206.82243	0.2
258.11130	0.7
283.45316	0.2
311.25836	0.5
337.27469	0.9
443.25540	0.3
502.33008	8.2
503.33084	0.3
520.34015	100.0
521.34222	3.0
604.01794	0.2
651.74158	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	999.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04980	0.2
71.07362	0.7
71.08629	0.4
72.69054	0.2
79.05077	0.3
79.05493	3.8
81.07058	17.1
83.04968	0.6
83.08159	0.3
83.08622	5.5
85.06544	0.3
85.10178	0.3
86.09714	6.5
87.10039	1.1
88.03990	0.3
91.05483	2.8
93.06493	0.3
93.07050	4.8
95.04958	0.3
95.08608	13.0
97.06557	1.2
97.10175	3.0
98.21532	0.3
98.98471	1.4
99.08086	0.4
104.10743	0.6
105.07019	1.9
106.05066	0.3
107.08608	2.9
109.06538	0.4
109.10157	5.5
111.08067	0.5
111.11707	0.6
119.08595	1.6
121.10162	2.2
123.08082	0.4
123.11712	2.7
124.01558	0.2
125.00018	4.6
125.09608	0.3
126.00363	0.4
131.90218	0.2
133.10135	2.1
135.11703	1.2
137.09624	0.3
137.13266	0.8
142.02635	0.2
147.10689	0.2
147.11652	1.2
147.16048	0.2
149.13251	0.7
149.27776	0.2
150.82655	0.2
151.14801	0.4
153.12703	0.2
155.01016	0.2
161.13283	0.7
163.14833	0.9
165.12686	0.3
173.02161	0.2
175.14804	0.8
184.07349	22.7
185.07706	4.1
186.07794	1.2
189.16373	0.2
198.05257	0.4
216.06360	0.7
243.85095	0.2
245.22693	0.3
263.23737	1.0
286.44128	0.2
306.27921	2.9
337.27371	100.0
338.27771	1.7
460.28314	1.0
478.29327	6.5
502.32755	0.2
503.33206	0.2
520.33954	1.7
521.34314	2.5
522.34692	2.0
719.22803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5887
Annotation	Unknow
Peak:m/z	Relative Intensity
71.09138	0.3
71.09509	0.4
78.95897	26.8
87.88786	0.2
93.16647	0.2
96.95992	0.3
96.96941	2.6
96.97404	0.2
100.21313	0.2
111.75745	0.2
150.98013	0.5
152.99574	38.0
159.57863	0.3
171.00633	11.1
227.03232	2.2
245.04280	51.2
246.04701	0.6
253.21701	22.6
254.22014	0.9
279.23242	0.5
311.33447	0.3
376.06747	0.3
481.25668	100.0
482.26022	5.2
501.17715	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.5694
Annotation	Unknow
Peak:m/z	Relative Intensity
69.71888	0.3
71.01375	9.0
71.52684	0.3
71.53117	0.6
72.99304	0.9
73.02950	1.1
81.03423	0.7
83.01387	0.7
83.05029	0.8
85.02464	0.5
85.02952	7.8
85.92072	0.4
86.02747	0.4
87.00864	1.7
89.02436	8.1
95.01382	0.9
95.04978	0.7
96.95975	0.7
97.02953	2.7
97.06590	2.0
99.00871	0.4
101.02449	7.2
104.24843	0.4
113.02446	3.6
119.03501	1.9
122.57881	0.4
125.02441	2.9
125.09710	1.7
127.11259	1.1
131.03453	0.6
135.04584	0.5
137.09709	2.8
143.03468	1.3
150.34093	0.4
155.10689	0.9
155.88594	0.4
161.02434	0.9
161.04512	2.0
165.12836	0.7
167.14433	0.4
171.10254	26.4
172.10658	0.6
177.12772	0.5
179.05594	4.2
179.14404	0.4
183.13919	2.7
185.11777	0.8
193.12405	0.5
195.13899	3.3
201.11284	1.2
209.11844	1.6
211.13374	12.1
221.06595	1.1
221.11786	1.9
223.13319	2.7
227.12814	0.7
229.14421	9.8
235.08177	2.4
239.12851	2.1
253.09262	0.8
275.20227	2.0
287.07703	0.7
291.19650	4.2
293.21213	38.6
294.21625	1.7
305.08704	0.9
309.20706	10.8
310.20978	0.5
323.09912	0.8
327.21741	100.0
328.22040	4.2
331.86700	0.3
351.21753	0.5
379.12274	0.4
397.13474	18.1
415.14514	20.2
416.14877	0.7
531.83209	0.4
545.29053	0.7
563.30267	0.4
584.17798	0.5
603.42584	5.1
613.23682	0.4
691.35510	3.7
707.34888	12.3
708.35583	0.8
725.36047	10.6
1001.57098	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	1002.6049
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	27.5
96.96949	2.2
98.20673	0.3
139.33804	0.1
150.98012	0.4
152.99570	40.4
153.99922	0.2
171.00621	9.5
204.88324	0.1
227.03233	2.5
227.19011	0.1
245.04282	39.8
246.04634	0.6
253.21695	16.3
254.22101	0.6
290.79926	0.1
307.56937	0.1
481.25656	100.0
482.25952	4.7
507.27289	0.4
552.34821	0.1
961.08142	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1002.6054
Annotation	Unknow
Peak:m/z	Relative Intensity
76.06223	0.1
78.58929	0.1
78.95901	24.6
85.42938	0.2
96.96958	1.7
99.92574	0.2
116.92870	0.7
117.92854	0.3
134.98596	0.2
150.97995	0.4
152.99576	39.3
153.99913	0.3
171.00629	6.0
182.80690	0.1
227.03249	2.8
230.04520	0.3
245.04294	24.5
246.04646	0.3
253.21706	11.0
254.22012	0.4
283.93875	0.2
332.61432	0.2
389.21158	0.2
481.25677	100.0
482.25983	4.6
543.75647	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4953
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	3.9
71.53122	0.4
73.02941	0.9
78.95896	0.6
78.98587	2.7
79.95734	6.3
80.96511	35.4
85.02937	1.1
87.00884	1.6
88.98808	2.4
89.02444	0.4
94.98083	8.3
96.95990	0.9
97.02930	0.9
99.00900	0.3
99.80552	0.3
101.02430	1.3
106.98066	1.4
122.97614	1.9
125.02409	1.4
127.04018	0.6
134.97571	2.6
136.99135	1.0
148.99132	3.2
152.98619	3.4
164.98613	7.8
185.20224	0.3
206.99667	1.6
212.72424	0.3
225.00739	10.4
225.02979	0.5
239.80994	0.3
240.75632	0.3
243.94846	0.4
262.57889	0.3
277.21719	1.4
299.04352	2.9
577.26825	100.0
578.27191	6.4
909.20557	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	3.5
73.02939	0.9
78.95921	0.5
78.98579	2.6
79.95731	6.1
80.96515	35.2
81.03419	0.5
85.02955	1.3
87.00879	1.7
88.98814	0.5
94.98079	8.7
95.01357	0.4
96.96031	0.7
97.02942	1.2
101.02443	1.3
105.01916	0.4
106.98087	1.7
107.46081	0.4
115.56655	0.4
122.97551	2.3
125.02418	1.3
127.04031	0.4
134.97551	2.3
136.99152	0.8
140.70404	0.3
148.99103	3.2
152.98601	3.6
161.23853	0.4
161.27118	0.4
164.98627	7.1
167.00151	0.4
182.99686	0.9
206.99658	1.6
225.00726	13.3
233.04045	0.4
243.01840	1.0
249.20477	0.4
277.21777	2.2
299.04401	1.9
306.57925	0.4
516.67218	0.5
577.26843	100.0
578.27155	8.1
1045.08997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
55.01876	65.3
57.03439	37.9
58.00588	7.9
58.03754	3.2
59.01380	64.9
66.61622	3.4
66.79457	3.3
69.35663	28.4
71.01374	42.9
72.99298	5.4
73.02942	100.0
78.77489	3.7
83.01387	18.1
100.94617	39.2
101.02438	98.6
102.02747	3.9
102.05606	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	1013.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01394	0.4
83.01378	0.5
92.11803	0.3
92.77813	0.3
93.53146	0.3
95.92432	0.3
99.04543	0.3
99.14072	0.3
105.35909	0.3
107.01401	1.7
108.02192	1.1
109.02928	1.0
110.77238	0.3
113.02417	0.5
121.02934	0.9
135.00928	0.8
137.02467	0.4
143.10332	0.3
148.01654	0.4
151.00357	5.8
161.02467	0.3
163.00375	1.3
169.01401	0.4
173.04596	0.5
178.99857	3.2
199.03928	0.6
203.03410	0.4
211.03966	0.4
226.02657	0.8
227.03526	1.7
243.02965	5.7
245.04402	0.7
254.02205	1.2
255.02968	16.3
256.03357	0.7
271.02460	35.7
272.02975	1.8
273.03812	0.5
283.02444	1.0
299.01920	0.5
300.02725	77.0
301.03467	25.9
302.03796	1.2
328.15335	0.3
356.09802	0.4
463.08798	1.8
505.09854	100.0
506.10153	5.8
525.16077	0.5
651.67932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1014.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
71.15371	74.2
101.02447	68.4
123.91672	45.3
217.66870	49.0
246.94983	53.2
277.21722	81.4
293.21158	100.0
294.21521	93.0
301.65625	54.7
344.23526	50.2
397.13522	70.0
399.14130	64.2
643.58966	56.0
655.70392	51.5
662.86395	56.4
684.08203	57.3
835.89014	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	1015.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52432	0.4
83.01370	0.6
90.53065	0.2
93.03430	0.2
98.66420	0.2
107.01385	1.5
108.02196	1.2
109.02966	1.0
119.01336	0.3
121.02951	1.3
123.00892	0.2
135.00865	0.7
135.04428	0.2
148.01675	1.0
149.02383	0.2
151.00360	7.2
152.01035	0.3
158.16061	0.2
161.02385	0.2
163.00368	1.7
164.01146	0.5
169.01363	0.3
178.99841	3.4
180.60042	0.2
183.04512	0.3
187.03983	0.3
190.99898	0.3
192.00624	0.3
199.03993	0.4
203.03490	0.3
211.03995	1.0
215.03508	0.4
216.04201	0.4
226.02661	1.1
227.03459	1.8
228.04016	0.2
229.01387	0.2
229.05112	0.5
243.02971	6.4
244.03427	0.8
245.04448	0.8
254.02205	1.3
255.02975	20.2
256.03409	1.2
257.04498	0.3
271.02460	40.8
272.02954	3.6
273.03583	0.7
283.02380	1.1
299.02127	1.0
300.02731	78.7
301.03442	29.4
302.03583	2.6
397.84171	0.2
421.21057	0.2
463.08688	1.5
464.09378	0.2
505.09857	100.0
506.10153	10.1
507.10410	2.8
536.54596	0.2
540.81012	0.2
645.53711	0.2
668.39075	0.2
781.11078	0.3
1007.53070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71288	0.4
70.71609	0.4
71.01379	1.0
75.80235	0.3
83.01360	0.4
85.02935	0.5
87.00883	0.4
89.02436	0.3
89.03983	1.0
93.03476	0.5
95.01359	0.4
101.02435	0.5
104.02691	0.6
109.02953	0.4
113.02449	0.8
117.03465	29.5
118.03801	0.5
119.05032	6.8
121.02948	0.4
125.02460	0.3
132.02170	36.9
133.02986	6.3
134.03743	16.4
135.04549	3.1
137.02425	1.2
145.02951	47.6
146.03320	1.0
147.04507	0.8
149.06079	3.2
150.09669	0.3
159.04515	0.8
160.01656	100.0
161.02438	13.1
161.06076	0.4
163.04008	3.9
173.05992	0.3
175.03995	72.7
176.04305	1.5
177.05530	0.6
178.02705	3.3
179.03499	3.0
187.04024	1.8
188.04712	0.6
189.05435	0.3
191.05576	0.4
191.07176	0.5
193.05045	13.7
197.06088	0.4
203.03551	0.3
203.07198	0.5
205.05026	0.4
207.06644	0.4
209.11937	0.3
213.05486	0.3
214.79236	0.3
217.04999	0.6
221.08180	0.3
225.05489	0.7
226.06331	7.9
227.06960	0.4
229.58366	0.3
233.04466	0.4
235.05988	0.4
241.05046	1.2
241.08618	3.0
242.05855	0.5
247.06007	0.9
251.07169	0.4
251.25754	0.4
256.07428	0.5
265.07120	2.1
271.09821	0.5
307.08136	0.6
319.08209	0.8
329.23279	0.8
337.09265	0.5
372.76031	0.3
386.35672	0.3
499.14462	0.4
513.13849	0.5
531.15204	0.4
579.13519	1.0
597.14661	0.5
627.96393	0.3
637.82953	0.3
645.18109	0.8
657.17950	0.4
663.19043	1.0
675.19379	3.8
693.20013	1.7
743.18311	1.5
773.19305	7.7
821.22729	4.4
822.23181	0.5
839.23944	12.5
840.23773	0.7
851.23901	9.2
852.24451	1.1
853.25024	0.4
869.25067	3.0
870.26013	0.4
927.65167	0.4
1015.28693	47.4
1016.28955	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	1015.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
70.71566	0.7
71.01379	3.0
72.99282	0.6
73.02943	0.6
83.01382	0.4
85.02964	1.2
87.00854	0.4
89.02460	1.0
89.03976	0.8
90.00066	0.3
93.03454	1.2
95.01385	0.8
96.96017	0.4
99.00874	0.9
99.04474	0.3
101.02442	0.9
104.02673	0.5
108.02214	0.3
108.21775	0.3
108.22773	0.3
109.02976	0.5
111.00899	1.0
113.02454	2.1
115.00344	1.2
117.03465	23.6
118.03840	0.4
119.05030	4.2
121.02953	1.0
121.87909	0.3
123.04552	1.1
125.02451	0.8
132.02170	36.2
133.02983	4.5
134.03737	25.9
135.04549	2.3
137.02454	1.8
139.00357	0.8
139.03986	0.5
143.03447	0.4
143.04997	0.5
145.02951	40.1
146.03397	1.1
147.04475	0.8
149.06090	4.7
156.03015	0.3
158.03683	0.6
159.04492	0.9
160.01654	100.0
161.02403	6.1
162.03114	0.5
163.04018	2.9
167.03584	0.3
169.06505	0.4
173.04631	0.6
175.03995	75.7
176.04417	1.9
177.01973	0.8
178.02719	5.2
179.03517	2.0
179.05614	0.8
185.06070	0.9
191.07104	0.8
193.05046	26.8
194.05353	0.5
195.04562	0.4
196.05219	0.4
197.06067	1.2
203.03494	0.3
206.05775	0.5
209.11763	0.5
211.07637	0.5
213.05568	3.2
215.06946	0.4
216.04333	0.4
217.05009	0.8
221.08182	0.5
224.04759	0.6
225.05569	3.5
226.06343	59.5
227.06879	3.5
235.06067	1.0
240.07875	0.7
241.05038	7.0
241.08694	21.3
242.05800	0.9
242.09053	0.8
247.06064	1.1
251.07275	0.7
252.07805	0.4
256.07416	4.6
257.08118	1.4
265.07156	5.4
271.09680	2.8
277.05426	0.5
280.07346	1.0
319.08160	2.1
321.07651	0.6
337.09387	1.0
339.08850	0.5
357.09738	1.5
433.61407	0.5
442.58051	0.3
481.13403	1.0
499.14478	1.4
527.34271	0.4
531.14868	0.8
563.88904	0.4
579.13507	7.9
580.13544	0.4
597.14380	3.4
645.18353	1.1
675.19177	6.4
676.19623	0.9
743.18243	9.5
744.18433	1.3
757.20264	0.6
773.19342	60.0
774.19623	6.4
787.21436	0.4
821.23053	1.8
839.24194	1.2
869.24683	0.8
1015.28674	38.4
1016.29053	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	1037.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99297	0.1
73.02938	0.7
78.98588	2.9
79.63895	0.1
79.95319	0.1
79.95731	5.2
80.96513	31.4
81.03451	0.4
83.01369	0.2
85.02949	1.3
87.00867	1.2
94.98082	8.6
95.01395	0.3
96.96002	0.5
97.02940	0.8
98.20680	0.2
99.00871	0.3
99.04536	0.1
101.02441	1.5
106.98085	1.6
113.02444	0.2
115.03962	0.1
116.24624	0.1
122.97582	2.9
125.02445	2.0
127.04015	0.4
127.50242	0.1
134.97581	2.6
136.99139	0.9
143.03493	0.2
145.05154	0.1
146.97568	0.2
148.99132	3.2
152.98624	3.9
164.98616	6.5
165.98969	0.1
167.00160	0.3
179.00217	0.2
182.99678	1.4
188.98698	0.1
206.99680	2.1
209.86861	0.1
225.00725	15.3
226.01007	0.3
243.01768	1.3
255.23280	2.0
299.04391	2.9
304.72443	0.1
317.05551	0.2
337.88049	0.1
357.20636	0.1
555.28357	100.0
556.28729	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	1039.5989
Annotation	Unknow
Peak:m/z	Relative Intensity
76.48370	0.2
78.95901	56.2
82.41333	0.2
88.24834	0.2
96.96956	6.5
117.36325	0.2
130.30257	0.2
150.97990	1.8
152.99576	100.0
153.99936	0.7
171.00616	3.3
279.23227	1.3
308.43085	0.3
317.11990	0.3
383.61084	0.2
424.17419	0.3
433.23557	28.3
434.23785	1.7
520.26746	43.0
521.27051	2.6
949.22784	0.3
961.67987	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1045.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
77.95648	0.2
83.01395	0.3
85.02950	0.2
87.00863	0.3
88.98833	0.2
89.03968	0.5
93.03435	0.2
93.75409	0.2
96.96004	0.2
97.02975	0.2
101.02457	0.3
104.02687	0.6
108.02132	0.2
113.02459	0.6
117.03489	1.2
119.05059	0.6
121.02980	0.5
132.02167	38.4
133.02983	5.3
134.03734	17.2
135.04535	2.6
136.01688	0.3
137.02452	1.0
139.04054	0.5
145.02975	0.5
147.04543	0.7
149.06093	2.9
159.04486	0.4
160.01648	100.0
161.02428	10.8
162.03056	0.2
163.03998	0.4
173.02426	0.3
174.03285	0.4
175.03989	70.2
176.04311	1.7
177.01880	0.4
177.05621	0.2
178.02696	2.9
179.03455	2.2
185.06035	0.3
187.03935	0.5
188.04880	0.3
189.05553	0.3
191.07115	0.4
193.05040	12.1
194.05310	0.3
195.04443	0.2
202.02696	0.5
203.03596	0.3
203.07141	0.4
207.06676	0.5
213.05540	0.7
217.05032	0.8
235.06140	0.6
241.05072	2.1
242.05971	0.3
247.06096	0.6
253.51245	0.2
256.07434	0.9
257.07870	0.3
265.07336	1.0
271.09720	1.1
319.08203	0.7
337.09256	0.7
499.14374	0.5
513.13885	0.7
531.14899	0.2
579.13361	0.3
657.18066	0.7
675.19202	3.5
689.19330	0.2
693.20343	1.9
773.19318	2.9
774.19653	0.3
851.23975	16.3
852.23773	1.5
869.25031	12.8
870.25586	1.2
1030.27368	0.3
1045.29785	37.0
1046.29785	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	1045.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
80.54021	0.3
81.03471	0.3
83.01402	0.4
85.02940	0.9
87.00875	0.4
88.98790	0.3
89.02468	0.7
89.03983	0.5
91.01853	0.4
93.03475	0.5
95.01383	0.7
97.02946	0.7
99.00898	0.5
101.02445	0.9
104.02642	0.6
108.02222	0.4
109.02941	0.8
111.00883	0.9
111.04514	0.3
113.02444	1.8
115.00367	0.9
117.03441	1.6
119.05043	0.5
121.02977	0.6
121.28836	0.3
123.04540	0.4
123.87505	0.3
125.02446	0.5
131.95859	0.3
132.02167	36.7
133.03004	3.2
134.03738	24.6
135.04584	2.3
137.02440	1.5
139.00342	0.4
139.03995	0.4
144.69617	0.3
145.03020	1.5
146.03630	0.4
147.04512	0.8
149.06088	4.8
153.05554	0.3
158.03769	0.7
159.04462	0.9
160.01649	100.0
161.02417	6.5
163.04010	0.4
167.05064	0.4
171.04492	0.7
175.03989	76.9
176.04382	1.6
178.02689	4.4
179.03470	1.6
179.05511	0.6
185.06073	3.5
187.04030	0.5
191.07141	0.7
193.05043	23.4
194.05376	0.7
195.04475	2.6
196.05290	0.9
197.06078	0.9
199.04004	0.7
207.06589	0.4
209.11804	0.7
211.03999	0.5
212.04691	1.5
213.05545	13.7
221.08157	0.9
223.04016	2.7
224.04785	2.5
234.56760	0.3
235.06036	1.1
239.03546	0.5
240.04274	1.3
241.05043	39.7
241.28169	0.3
242.05661	3.6
247.06082	1.4
255.06610	1.1
256.07385	22.3
257.08081	3.7
265.07153	5.8
266.05624	0.4
267.06570	0.4
271.09726	17.8
272.10181	0.6
277.05264	0.3
281.08179	0.5
295.05988	0.6
310.08444	0.6
319.08191	2.1
325.10672	0.8
337.09521	1.4
351.08517	0.5
369.09680	0.7
387.10730	1.9
406.05707	0.3
481.13495	0.7
499.14624	1.0
513.14069	0.5
531.14966	1.1
579.04395	0.5
579.13470	7.5
580.13611	0.6
597.14648	3.8
675.19189	7.7
676.19427	0.6
773.19312	60.2
774.19476	4.7
775.20947	0.4
787.20819	1.9
851.23926	1.6
869.25269	1.9
1045.29749	36.1
1046.30066	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	105.0193
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01377	19.3
67.52043	0.9
69.35484	2.0
69.35889	4.8
72.99307	66.8
75.00868	18.8
103.00352	1.1
105.01933	100.0
106.02291	3.5
115.44143	0.9
118.56670	1.0
121.23851	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	1050.6162
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02938	0.6
74.11887	0.1
78.95903	1.6
78.98583	2.4
79.95733	4.8
80.96513	27.3
81.03442	0.3
85.02942	1.1
87.00867	1.0
92.30626	0.1
94.98082	7.5
96.95992	0.5
97.02940	0.8
99.00858	0.3
101.00812	0.1
101.02437	1.2
106.98077	1.2
113.02455	0.3
118.33598	0.2
122.97580	3.3
125.02441	1.8
127.03970	0.5
134.97580	2.0
136.99121	0.5
143.03508	0.2
143.57500	0.2
146.97551	0.2
148.97998	0.3
148.99139	2.7
152.97479	0.3
152.98628	4.1
152.99597	0.2
164.98615	6.6
167.88042	0.1
168.04230	0.2
179.00046	0.2
180.10959	0.2
182.99683	1.2
188.98683	0.2
206.99664	2.0
224.06898	1.0
225.00728	13.0
226.01169	0.3
242.07999	0.2
243.01724	1.5
255.23276	11.5
256.23602	4.0
265.39563	0.2
299.04376	2.7
317.05475	0.2
480.30933	7.8
481.31238	5.7
482.30801	0.2
554.34698	0.3
555.28369	100.0
556.28717	6.5
658.03357	0.2
731.11005	0.2
867.51434	0.2
1004.18866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1052.5372
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02942	0.7
78.98592	3.1
79.95732	5.5
80.96513	33.3
81.03456	0.2
85.02929	1.3
86.18567	0.2
87.00875	1.4
94.98089	8.1
96.95997	0.5
97.02931	0.8
99.00915	0.2
101.02439	1.7
106.98093	1.8
109.07716	0.2
122.97586	2.8
125.02448	1.8
127.04008	0.5
134.97583	2.2
136.99149	0.9
146.97574	0.2
148.99135	4.3
152.98642	4.0
164.98619	6.9
167.00215	0.4
182.99644	1.4
206.99673	2.1
225.00726	14.5
226.01118	0.2
243.01831	1.8
277.21753	1.5
299.04385	2.7
397.59183	0.2
433.31018	0.2
577.26837	100.0
578.27130	8.6
864.61694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1054.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02951	0.8
78.95936	0.2
78.98587	2.8
79.95732	6.2
80.96514	33.0
81.03452	0.5
85.02953	1.2
87.00854	1.3
94.98082	8.4
96.96008	0.9
97.02947	0.8
98.20651	0.5
99.00880	0.3
99.04501	0.2
101.02442	1.4
106.98080	1.7
113.02441	0.3
122.97581	1.8
125.02440	1.6
127.04018	0.4
134.97581	3.4
136.99142	1.0
137.67265	0.2
146.97569	0.3
148.99127	3.5
152.98619	3.6
152.99747	0.3
164.98630	7.2
165.00043	0.4
167.00180	0.3
179.35910	0.2
182.99590	0.2
206.99689	1.6
225.00731	14.2
277.21695	1.5
279.23239	0.4
299.04416	2.6
304.16553	0.2
344.93896	0.2
577.26849	100.0
578.27130	6.6
905.10986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1057.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02957	0.8
81.03416	0.4
83.01388	0.7
85.02921	0.6
87.00890	0.4
88.03273	0.3
89.03970	1.2
89.26769	0.3
89.51892	0.3
93.03455	0.8
95.01376	0.6
96.99359	0.4
97.02943	0.4
99.00886	0.9
101.02445	1.3
104.02667	0.7
109.02930	0.5
111.00865	0.6
113.02434	1.5
115.00377	1.1
117.03471	15.9
119.05047	2.7
121.02955	0.5
123.04531	0.7
125.02425	0.6
129.10370	0.3
132.02170	40.0
133.02985	4.8
134.03741	23.3
135.04565	2.6
137.02438	1.6
139.00404	0.3
139.03976	0.7
143.03542	0.4
143.04919	0.3
145.02951	24.0
147.04559	0.8
148.01517	0.3
149.02553	0.4
149.06071	3.8
158.03734	0.5
159.04524	1.0
160.01654	100.0
161.02426	6.8
162.03117	0.3
163.04008	1.4
175.03995	74.5
176.04335	2.0
177.05515	0.4
178.02708	4.2
179.03488	1.3
185.06161	0.6
187.03964	0.6
191.07144	0.7
193.05048	22.7
194.05324	0.6
197.06096	1.8
207.06395	0.4
207.37366	0.4
213.05533	2.0
217.04904	0.5
221.08261	0.6
223.04050	0.5
224.04813	0.6
225.05556	4.4
226.06346	67.9
227.06874	4.3
235.06096	1.1
240.07849	0.6
241.05132	5.5
241.08694	22.3
242.05777	0.7
242.09085	0.9
247.06111	1.3
251.07207	0.6
255.06747	0.4
256.07358	2.9
257.08173	1.3
265.07086	3.6
267.06860	0.4
271.09775	2.3
279.06476	0.5
280.07385	0.7
295.06006	0.5
295.09607	0.8
319.08356	2.6
321.07602	0.8
323.16077	0.3
337.09323	0.7
339.08603	0.7
357.09717	1.5
523.14502	1.0
531.15112	0.4
541.15759	0.7
543.21753	0.4
621.14490	6.2
622.14612	0.6
639.15540	3.3
687.19348	0.9
717.20294	5.2
773.19464	3.8
785.19293	8.2
786.19897	0.7
815.20386	71.3
816.20795	7.3
829.22504	0.5
838.11761	0.4
845.13013	0.4
863.24579	1.1
881.25116	1.2
1015.28857	1.1
1057.29834	33.4
1058.30408	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	1057.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02955	0.5
73.37230	0.3
83.01390	0.5
89.03965	1.0
93.03480	0.6
93.05150	0.3
97.02951	0.6
101.02446	0.4
105.03485	0.4
111.00932	0.4
113.02438	0.7
117.03461	28.4
118.03802	0.5
119.05029	5.0
123.04516	0.8
125.02480	0.8
132.02171	40.5
133.02971	6.2
133.06584	0.4
134.03741	18.4
135.04562	3.2
137.02452	0.9
139.03995	0.6
139.29651	0.4
142.59007	0.4
145.02950	46.5
146.03313	1.3
147.04486	0.7
149.06070	3.1
159.04536	0.6
160.01656	100.0
161.02441	13.6
161.04480	0.7
163.04001	2.9
173.86284	0.4
175.03993	75.1
176.04382	1.7
176.89481	0.4
177.05505	0.5
178.02710	2.8
178.78552	0.4
179.03497	2.8
185.05968	0.7
187.04044	1.2
189.05513	0.5
191.07060	0.5
193.05040	13.3
197.06055	0.5
201.05418	0.4
202.02650	0.4
213.05540	0.9
225.05537	1.4
226.06351	20.2
227.06870	0.8
235.06210	0.5
241.05016	1.6
241.08704	6.7
247.06120	0.8
256.07361	0.7
257.08264	0.8
262.78613	0.4
265.07205	2.1
271.09839	0.8
280.07611	0.4
294.15915	0.5
319.08270	0.8
337.09250	0.6
357.09885	0.7
441.12070	0.4
541.15167	0.5
621.14294	2.0
639.15894	0.9
687.19165	1.1
705.20056	1.0
717.20306	3.8
735.21533	1.5
773.19189	1.1
785.19604	1.7
786.18652	0.6
815.20428	20.6
816.20959	1.6
863.24274	5.9
864.24152	0.7
881.25079	11.3
882.24835	1.2
893.24890	7.9
894.25464	1.2
911.25977	3.2
997.27667	0.6
1015.27734	0.6
1057.29822	47.9
1058.30029	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	1061.548
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95892	0.2
78.98592	3.0
79.95734	5.7
80.96516	33.1
81.03435	0.3
83.01422	0.2
85.02950	1.4
87.00880	1.4
91.04031	0.2
94.98083	9.3
95.01395	0.1
96.96001	0.6
97.02966	1.0
99.00892	0.2
101.02436	1.6
106.98095	1.6
113.02437	0.2
122.96756	0.3
122.97586	3.1
122.98492	0.1
125.02439	1.7
127.03993	0.4
128.56561	0.1
134.97578	2.3
136.99167	0.8
146.97609	0.3
148.99138	3.6
152.98627	4.4
164.98625	7.4
167.00163	0.3
182.99727	1.3
206.99699	1.8
225.00732	15.4
226.00951	0.2
243.01791	1.3
279.23248	2.2
288.91998	0.3
299.04361	2.5
310.50549	0.1
317.05515	0.4
384.48965	0.1
435.65314	0.1
481.25403	0.3
529.04059	0.4
553.26715	0.3
555.28845	0.3
579.28412	100.0
580.28723	6.8
1041.71716	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1068.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	34.4
82.33176	0.2
85.43439	0.2
96.96001	0.5
96.96959	5.7
127.26882	0.2
150.97977	0.5
152.99577	46.0
153.99934	0.4
171.00630	1.0
190.96873	0.3
222.39392	0.2
223.00117	5.3
241.01170	13.7
259.02237	1.0
259.20697	0.2
275.19934	0.3
277.21704	31.8
278.22110	1.7
314.75101	0.2
315.04868	5.5
333.06046	0.6
593.27264	100.0
594.18555	0.5
594.27643	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	1069.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95898	14.5
80.96506	2.0
89.52323	0.4
94.98095	0.7
96.96935	1.3
152.99594	8.3
154.00014	0.5
168.04277	1.4
187.12181	0.4
223.00156	1.1
224.06938	1.6
225.00731	0.5
233.22813	0.5
238.68613	0.4
241.01115	1.9
242.07925	2.8
246.54045	0.4
249.20921	0.4
259.20694	0.5
262.80579	0.4
277.21701	100.0
278.22086	5.7
301.35757	0.5
315.04767	1.3
388.71625	0.5
473.56836	0.4
474.26108	0.5
502.29382	87.9
503.29666	6.0
551.25360	3.3
552.28479	5.6
593.27197	8.5
594.27502	8.4
595.27478	0.7
723.56049	0.5
733.39398	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1072.574
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	39.2
80.96516	0.8
85.19868	0.4
88.98833	0.5
92.15237	0.4
96.96962	5.7
132.24533	0.3
149.45166	0.3
150.97987	0.8
152.99585	51.1
153.99876	0.5
159.22192	0.4
171.00656	1.5
182.81882	0.3
223.00128	6.0
225.00951	0.4
241.01175	14.6
259.02100	1.1
261.22287	0.6
262.08121	0.4
279.23279	41.0
280.23621	2.0
315.04880	5.6
333.05975	0.5
338.71799	0.3
359.06015	0.3
400.80606	0.3
446.63068	0.4
476.27802	1.0
577.26294	0.8
578.26929	0.8
579.27393	0.8
595.28864	100.0
596.29218	6.4
788.13135	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.6309
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95915	0.2
78.98592	2.2
79.57967	0.1
79.95732	4.6
80.96515	27.7
81.03452	0.3
83.01358	0.1
85.02952	1.0
87.00874	1.3
94.43828	0.1
94.98083	7.3
95.01394	0.1
96.96001	0.4
97.02933	0.8
99.00874	0.1
99.04503	0.1
101.02446	1.1
106.77362	0.1
106.98086	1.2
108.12601	0.1
113.02480	0.1
122.97581	2.7
125.02451	1.8
127.04021	0.5
134.97575	2.1
136.99103	0.6
146.97581	0.1
148.99132	3.0
149.00339	0.2
152.98625	3.6
157.77112	0.1
162.74350	0.1
164.98621	6.0
167.00189	0.2
182.99660	1.4
186.37726	0.1
188.28105	0.1
188.98587	0.2
206.99678	2.0
212.53911	0.1
220.06064	0.1
225.00728	13.8
226.00981	0.3
243.01767	1.4
248.63678	0.1
255.23311	2.1
256.23584	0.1
276.86392	0.1
281.24854	0.4
299.04431	2.3
317.05444	0.1
337.23846	0.1
483.26965	0.1
506.32343	0.4
555.28381	100.0
556.28705	6.6
713.17389	0.1
738.23157	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	1076.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95891	0.7
78.98587	2.4
79.95736	4.6
79.96208	0.2
80.96513	26.7
81.03478	0.3
83.01380	0.3
85.02946	1.2
87.00864	1.1
94.98080	6.5
95.01378	0.3
96.96014	0.5
97.02949	0.6
98.19909	0.5
99.00887	0.3
99.04483	0.1
101.02456	1.2
106.98091	1.3
113.02443	0.3
122.97574	2.6
125.02441	1.8
127.04002	0.4
134.97583	2.3
136.99133	0.7
146.97531	0.2
148.99135	3.1
152.98611	3.3
152.99721	0.3
155.00212	0.1
156.54568	0.1
164.98615	5.8
167.00200	0.2
182.99666	1.3
188.98645	0.2
200.37056	0.1
206.99631	1.5
225.00720	14.1
226.01041	0.3
243.01749	1.4
255.23259	3.2
256.23624	0.6
279.36722	0.1
281.24847	2.7
282.25104	0.7
299.04382	2.1
354.20450	0.2
480.30981	0.8
481.25467	0.2
481.31183	0.7
506.32416	2.0
507.33102	0.8
555.28369	100.0
556.28699	7.4
657.98810	0.2
703.35999	0.2
892.30774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1077.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	37.0
96.96955	6.9
98.35719	0.2
98.36389	0.2
119.48345	0.3
134.98543	0.2
150.97971	0.5
152.99580	35.9
153.99939	0.3
171.00648	0.5
223.00136	1.7
241.01173	20.5
242.01430	0.4
244.80171	0.2
245.04251	0.3
259.02225	0.8
261.22235	0.5
279.23273	44.9
280.23587	2.2
315.04852	4.8
333.05896	0.3
415.22406	1.4
481.25406	0.7
579.28656	0.3
595.28857	100.0
596.29163	6.9
795.87048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
76.33496	0.3
81.03479	0.3
83.01377	0.4
85.02940	0.8
87.00890	0.3
89.03979	0.8
93.03448	0.3
95.01389	0.4
96.99239	0.3
97.02930	0.4
98.19918	0.6
99.00900	0.7
101.02444	1.1
104.02677	0.5
107.63126	0.3
109.02952	0.8
110.91302	0.3
111.00885	0.8
113.02434	1.4
115.00373	0.9
117.03456	1.2
119.05020	0.3
121.02969	0.6
123.04538	0.3
125.02444	1.0
132.02173	41.8
133.03008	3.7
134.03743	23.0
135.04590	1.5
136.01588	0.3
137.02448	1.3
139.00381	0.5
139.04042	0.3
143.03563	0.4
145.02968	0.6
146.03716	0.3
147.04503	0.9
148.05290	0.5
149.06076	3.9
150.03320	0.3
158.03743	0.4
159.04507	0.9
160.01657	100.0
161.02431	5.7
161.04498	0.3
162.03119	0.3
163.04056	0.3
167.05019	0.4
171.04483	0.6
173.06012	0.4
174.03230	0.3
175.03996	71.7
176.04333	2.1
178.02719	4.5
179.03499	1.3
185.06068	3.7
187.03984	0.5
188.04799	0.4
191.07135	0.4
193.05045	21.5
194.05396	0.5
195.04483	2.9
196.05318	0.9
197.06056	1.1
199.04027	0.4
203.07010	0.3
206.05782	0.4
207.06758	0.5
211.03984	0.8
212.04782	1.7
213.05559	15.6
214.05928	0.4
221.08286	0.7
223.03975	2.7
224.04747	2.2
227.94582	0.3
231.06580	0.3
235.06097	0.9
239.03336	0.4
240.04266	1.6
241.05055	42.5
242.05667	3.5
243.76680	0.2
247.06154	1.6
253.05147	0.3
255.06645	1.0
256.07401	24.0
257.08099	3.6
265.04733	0.4
265.07190	4.5
270.08984	0.4
271.09744	18.3
272.10123	0.7
281.08182	0.7
295.06143	0.7
308.07007	0.3
310.08450	0.4
319.08261	2.7
325.10907	0.9
337.09232	0.9
351.08676	0.5
369.09851	0.8
387.10788	1.1
417.07968	0.4
523.14221	0.7
531.15485	0.8
541.15625	1.0
561.12549	0.4
579.13507	0.4
621.05054	0.5
621.14575	7.2
622.15424	0.5
639.15637	2.7
717.20398	6.1
718.20593	0.6
735.20898	0.5
773.19214	3.6
774.19666	0.3
815.20398	71.0
816.20703	6.3
817.21997	0.5
829.22192	1.6
893.24982	1.7
894.76154	0.3
911.26038	1.6
1027.30176	0.4
1045.29175	1.3
1087.30872	35.4
1088.31018	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	1087.308
Annotation	Unknow
Peak:m/z	Relative Intensity
75.89011	0.2
78.23863	0.2
83.01385	0.2
85.02938	0.3
87.00900	0.2
88.32335	0.2
89.03971	0.4
93.03471	0.2
95.01397	0.2
97.02939	0.3
104.02669	0.7
108.02195	0.2
113.02454	0.5
117.03487	1.0
119.05009	0.4
119.50066	0.2
121.02955	0.3
123.04529	0.4
125.02454	0.3
132.02168	42.7
133.02983	5.6
134.03735	16.3
135.04541	2.4
136.01584	0.2
137.02455	1.1
139.03987	0.3
142.30643	0.2
145.02953	0.5
146.03688	0.4
147.04524	0.6
148.05325	0.3
149.06070	2.7
159.04524	0.5
160.01653	100.0
161.02432	12.7
161.04449	0.3
162.02913	0.4
173.02415	0.3
174.03258	0.4
175.03989	74.2
176.04382	1.9
177.01836	0.2
178.02707	2.9
179.03481	1.9
185.06097	0.2
187.04022	0.5
188.04689	0.5
189.05487	0.4
191.07161	0.5
193.05045	10.7
194.05418	0.2
195.04492	0.2
202.02641	0.5
203.03439	0.2
203.07179	0.3
207.06639	0.6
213.05511	1.3
217.05002	0.9
221.08212	0.2
223.03949	0.2
231.06769	0.3
233.04572	0.2
235.06075	0.5
241.05060	3.1
242.05711	0.5
247.06157	0.8
255.06525	0.2
256.07388	1.4
257.08081	0.4
259.06030	0.4
265.07178	1.3
271.09695	1.3
307.23251	0.2
319.08148	0.7
323.07864	0.2
327.21844	0.2
337.09158	0.4
369.09705	0.2
438.69922	0.2
447.25931	0.3
513.13995	0.7
541.15527	0.4
621.14526	0.5
689.18536	0.3
699.19525	0.5
703.18640	0.2
717.20392	4.6
718.20648	0.3
735.21228	2.5
773.18744	0.3
792.10632	0.2
815.20367	6.0
815.34839	0.4
816.21600	0.4
829.20300	0.2
851.24097	0.5
879.23462	0.2
893.25000	18.4
894.25153	1.9
909.59357	0.2
911.26111	14.5
912.26355	1.5
925.28687	0.5
1027.28809	0.6
1045.29504	0.6
1087.30835	42.5
1088.31152	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	1087.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
81.36575	0.4
89.03963	0.9
98.20637	1.0
99.00891	0.6
104.02689	0.6
108.02187	0.4
108.49223	0.4
113.02457	0.5
115.00325	0.5
117.03448	1.1
119.05007	0.5
121.02944	0.4
123.04471	0.6
132.02171	42.1
133.02992	5.4
134.03737	17.2
135.04559	3.5
137.02457	1.2
145.02971	0.8
147.04535	1.0
149.06052	2.5
151.03955	0.5
158.03770	0.5
159.04477	0.4
160.01656	100.0
160.47804	0.4
161.02441	12.2
162.03093	0.5
163.03979	0.7
174.03252	0.7
175.03995	78.1
176.04378	2.6
178.02710	2.8
179.03505	1.9
187.03990	0.9
188.04759	0.4
191.07173	0.7
193.05048	15.0
193.06825	0.8
203.07117	0.7
207.06589	1.1
213.05557	2.0
217.05061	0.9
224.04840	0.6
235.05956	0.4
241.05025	6.6
247.05954	0.7
256.07370	4.1
265.07150	1.7
271.09662	2.0
272.10297	0.4
310.08316	0.5
319.08347	0.7
325.10989	0.6
337.09158	0.8
369.09857	1.1
387.10193	0.4
474.42084	0.4
513.13934	1.3
620.09430	0.4
642.81158	0.4
689.17474	0.5
699.19495	0.7
717.20374	6.4
718.19812	0.5
735.21814	2.4
815.20331	8.2
816.20496	0.9
893.25073	16.0
894.25397	1.2
911.26056	13.1
912.26111	1.7
913.44873	0.5
1045.29785	1.1
1087.30811	38.8
1088.31360	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	1092.6598
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	5.5
80.96501	0.2
96.96972	0.2
101.02422	0.2
131.92001	0.1
134.84132	0.1
136.14583	0.1
138.29790	0.1
152.99585	1.7
166.32558	0.1
168.04305	1.2
224.06892	1.0
242.07982	2.3
253.09326	0.7
261.22235	0.4
277.21716	4.8
277.24756	0.2
278.22147	0.2
279.23267	100.0
280.23602	3.9
433.23648	0.9
504.30933	83.9
505.31250	5.0
513.30573	0.1
519.27521	0.6
578.34570	4.5
579.27814	0.2
579.35602	0.2
599.47534	0.2
625.58020	0.1
805.81018	0.1
973.33075	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	1092.6612
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	16.9
80.96522	0.6
96.95969	0.2
96.96968	0.3
101.02435	0.2
107.74977	0.1
122.98586	0.4
152.98396	0.2
152.99588	3.6
168.04312	2.8
194.05913	0.2
224.06917	8.1
225.00719	0.2
242.07991	1.8
245.04221	0.1
253.09337	0.9
261.22159	0.5
277.21707	8.3
278.22006	0.3
279.23273	88.4
280.23624	4.2
375.20129	0.2
433.23581	1.2
483.13257	0.2
504.30939	100.0
505.31226	6.5
513.30939	0.4
519.27417	0.7
578.34656	4.7
579.28174	1.7
579.34741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6461
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	6.5
78.98589	0.4
79.95731	0.8
80.96513	4.6
83.05009	0.2
85.02929	0.2
87.00867	0.2
94.98089	1.1
97.02947	0.1
101.02470	0.2
106.98071	0.2
113.06129	0.1
122.97592	0.4
124.74483	0.1
125.02434	0.2
127.07656	0.3
134.97556	0.3
148.99120	0.5
152.98550	0.4
152.99582	1.2
159.82635	0.1
164.98618	1.0
168.04312	1.6
171.00638	0.2
182.99643	0.2
190.05156	0.1
206.99692	0.3
224.06912	1.2
224.98438	0.1
225.00716	2.0
233.22719	0.5
242.07983	3.3
243.01698	0.2
259.20621	0.5
275.20059	0.6
277.21695	99.7
278.22034	4.2
299.04333	0.3
339.42371	0.1
359.35629	0.1
502.29352	100.0
503.29688	6.2
517.25653	0.9
576.33032	5.0
577.26776	14.4
675.60150	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	1094.5854
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95895	0.4
78.98228	0.1
78.98587	3.0
79.95731	5.5
80.96513	29.8
81.03456	0.3
83.01363	0.1
85.02942	1.1
87.00874	1.3
91.03970	0.1
94.98083	8.5
95.01388	0.1
96.96011	0.5
97.02945	0.8
98.76832	0.1
99.00858	0.2
99.04491	0.1
101.02447	1.5
104.38486	0.1
106.98083	1.5
113.02439	0.2
120.99603	0.1
122.97579	3.1
125.02439	1.7
127.04002	0.6
134.97575	2.5
136.99138	0.7
138.97092	0.1
143.03470	0.1
146.97614	0.2
148.99130	3.4
150.97028	0.1
152.98627	4.0
164.98616	6.8
167.00162	0.2
176.98608	0.1
179.00250	0.1
182.99669	1.5
188.98645	0.2
206.99666	2.0
224.07018	0.2
225.00728	14.5
226.01100	0.3
229.69246	0.1
243.01770	1.2
277.21719	3.1
278.22086	0.7
299.04376	2.8
300.04874	0.1
317.05423	0.3
341.66095	0.1
353.02634	0.1
502.29327	1.7
503.29730	1.1
577.26813	100.0
578.27136	7.7
584.69653	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	1094.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95904	1.6
78.98588	2.9
79.95354	0.1
79.95733	6.3
80.96513	33.4
81.03412	0.2
83.01373	0.1
85.02946	1.2
87.00873	1.2
91.04006	0.2
94.98083	8.8
95.01382	0.3
96.95996	0.6
97.02951	1.1
99.00872	0.3
99.04529	0.1
101.02433	1.5
102.31067	0.1
106.98079	1.6
109.02960	0.1
113.02435	0.3
122.97583	3.4
125.02456	1.9
127.04018	0.6
134.97586	2.8
136.99155	0.7
143.03429	0.1
146.97572	0.2
148.99132	3.8
152.98616	4.0
152.99567	0.2
155.00212	0.1
164.98624	7.1
165.98953	0.1
167.00180	0.3
168.04254	0.4
171.00513	0.1
176.98552	0.1
179.00177	0.2
182.99702	1.5
188.98607	0.3
194.67130	0.1
206.99689	2.3
224.06931	0.3
225.00734	15.1
226.01003	0.3
233.22781	0.2
242.07922	0.6
243.01773	1.4
263.93768	0.1
275.19839	0.1
277.21704	19.7
278.22049	6.3
279.22363	0.2
299.04370	2.7
317.05457	0.1
381.78152	0.1
480.22382	0.1
502.29398	13.9
503.29730	10.0
504.29773	0.3
537.07330	0.1
576.33069	0.6
577.26819	100.0
578.27142	7.5
958.86987	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	1096.6169
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	10.9
78.98624	1.9
79.95726	4.5
80.96515	26.2
81.03427	0.9
82.96104	6.4
85.02974	1.3
87.00882	1.1
94.98077	7.5
96.97084	0.8
96.97649	2.2
101.02425	1.5
106.98082	1.3
113.72896	1.0
122.97585	1.8
125.02408	1.6
134.97542	2.3
148.99126	2.0
150.98718	1.2
152.98666	1.7
152.99635	7.3
164.98643	5.3
168.04230	1.6
171.38046	1.0
177.98544	0.9
192.21016	1.1
207.99956	1.0
224.07088	1.0
225.00754	9.1
226.00833	1.4
227.00461	2.9
242.08025	3.4
244.08229	1.2
248.21497	1.4
277.21716	76.4
278.22058	46.5
279.22327	19.2
280.22571	3.9
299.04327	1.6
352.16718	1.0
365.26746	2.0
380.84103	1.1
391.68909	1.0
429.32053	1.2
431.21994	1.9
449.74734	1.1
502.29376	47.9
503.29745	42.1
503.35773	0.6
504.29980	35.3
505.30258	14.4
560.68658	0.9
561.27899	1.9
577.26740	25.7
577.34888	2.2
578.27026	37.9
579.30621	100.0
580.30634	5.9
648.19220	0.9
652.17194	0.9
789.81879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6781
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95422	0.1
78.95902	5.3
78.98598	0.8
79.95730	1.6
80.96516	7.8
82.96085	0.2
85.02947	0.4
87.00859	0.4
94.98085	2.4
96.96030	0.1
96.96943	0.1
97.02959	0.2
101.02460	0.3
103.48052	0.1
106.98086	0.4
122.97592	0.4
122.98407	0.1
125.02454	0.5
127.04012	0.1
128.93596	0.1
131.06667	0.1
134.97607	0.6
134.98483	0.1
136.99141	0.2
148.99147	1.0
149.99188	0.1
152.98572	0.5
152.99657	1.1
153.77267	0.1
164.98615	1.9
165.98990	0.2
168.04308	1.5
206.99658	0.5
224.06911	1.0
225.00717	3.1
226.01065	0.5
227.00427	0.1
242.07961	2.2
244.13623	0.1
261.22177	0.4
277.21695	0.2
278.22198	0.2
279.23267	100.0
280.23602	4.9
299.04379	0.6
300.04788	0.1
372.95331	0.1
504.30930	80.7
505.31229	5.4
505.38864	0.2
519.27411	0.7
577.26837	13.4
578.27081	13.3
578.34875	3.6
579.27216	1.7
579.35223	0.3
642.67444	0.1
742.45801	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	1097.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	17.3
78.98579	0.2
79.95715	0.4
80.96081	0.2
80.96515	1.9
85.02955	0.1
89.08767	0.1
94.98084	0.7
96.96966	0.3
101.02423	0.1
104.97504	0.1
106.98047	0.1
122.97660	0.2
122.98540	0.4
125.02438	0.2
130.28305	0.1
134.83107	0.1
134.97566	0.3
134.98479	0.1
136.99132	0.1
148.99141	0.2
152.98615	0.2
152.99608	2.7
164.98598	0.6
168.04292	2.7
168.05728	0.2
194.05788	0.2
206.38622	0.1
206.99692	0.2
224.06915	7.6
225.00717	1.1
225.07350	0.2
242.07961	1.8
243.01750	0.1
261.22104	0.5
279.23260	87.3
280.23605	4.3
280.26697	0.2
299.04324	0.1
334.40338	0.1
415.22513	0.1
504.30920	100.0
505.31247	6.2
519.27472	0.8
577.26697	0.2
578.34619	4.5
579.28314	7.5
583.60181	0.1
599.21527	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	111.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49525	0.5
55.01876	2.8
56.59174	0.4
57.16036	0.4
58.28821	0.4
67.01891	6.0
68.42271	0.4
70.05905	1.4
70.06258	0.9
71.01369	0.7
78.95901	100.0
79.93275	1.1
79.95761	0.5
83.01379	8.2
83.05019	1.2
93.03471	0.9
97.43886	0.4
110.97584	1.6
110.98515	2.9
111.00874	11.0
111.02035	0.8
111.04518	1.3
117.18585	0.6
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	Unknow
Peak:m/z	Relative Intensity
52.85324	1.1
54.19685	1.3
55.01885	11.9
60.01800	1.1
67.01888	34.3
70.50447	1.1
71.01382	3.6
71.50401	1.2
73.69024	1.2
78.95904	100.0
79.95731	1.6
83.01387	36.5
83.05044	2.0
110.97582	10.1
110.98526	3.2
111.00883	70.3
111.01992	9.6
111.04466	1.7
112.01210	2.9
117.51910	1.2
123.21994	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	111.0088
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01878	3.1
56.82329	0.5
67.01886	6.5
68.70719	0.5
71.27076	1.0
78.95905	100.0
79.95746	0.6
81.03447	0.6
83.01385	9.8
83.05040	1.6
93.03470	1.5
110.89894	3.7
110.97571	2.3
110.98502	3.2
111.00880	13.4
111.02023	1.2
111.04520	1.3
112.01214	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	1110.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	37.7
93.79201	0.1
96.96957	6.5
98.19971	0.1
127.07675	0.2
150.98029	0.5
152.99577	47.7
153.99934	0.4
171.00633	1.5
223.00105	6.8
232.90800	0.1
233.22713	0.2
241.01169	15.2
242.01509	0.3
259.02234	0.7
259.20602	0.2
275.20074	0.2
277.21701	31.7
278.22070	1.6
313.29950	0.1
315.04849	6.0
316.79993	0.1
333.05981	0.6
440.43567	0.1
483.91437	0.1
502.29227	0.1
503.29898	0.1
593.27258	100.0
594.27606	7.0
612.01691	0.1
722.58417	0.1
1149.33411	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	1110.59
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	37.9
96.96959	7.7
96.97597	0.3
116.45738	0.2
134.98578	0.2
145.67166	0.1
150.97978	0.3
152.99579	34.5
153.99864	0.3
171.00629	0.4
176.80193	0.1
179.05553	0.2
223.00171	1.2
224.26843	0.2
233.22668	0.2
241.01176	19.4
242.01498	0.3
259.02148	0.5
277.21704	35.0
278.22012	1.6
284.77661	0.2
315.04880	4.8
413.20929	1.7
541.57050	0.2
577.27051	0.2
593.27271	100.0
594.27551	7.0
872.96820	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1114.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
77.06381	0.3
78.95905	41.0
96.96957	6.8
105.63577	0.2
116.12154	0.3
150.98013	0.8
152.99582	52.8
171.00667	1.3
184.61296	0.2
193.91643	0.2
222.97876	0.2
222.98242	0.1
223.00110	7.3
241.01176	16.1
242.01570	0.3
259.02264	0.6
261.22290	0.4
279.23279	41.7
280.23666	2.1
315.04865	5.8
333.05783	0.8
415.22760	0.4
504.31714	0.3
595.28870	100.0
596.29187	7.7
611.70221	0.2
1146.92444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0245
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01878	9.0
57.03448	27.2
58.67134	1.3
62.20802	1.3
67.01866	2.4
68.99564	24.2
69.03440	2.2
69.39612	4.6
69.40037	5.0
69.42068	1.3
71.01373	3.0
72.99306	3.0
83.01381	4.3
84.02168	14.6
85.02950	100.0
86.03295	3.4
95.01372	2.9
112.98732	2.0
113.02449	20.9
114.05604	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	113.061
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69854	0.3
55.01871	1.1
57.03449	4.8
59.03025	0.3
62.86306	0.3
67.01900	0.5
68.99572	100.0
69.03452	2.1
69.99907	0.7
71.01385	1.3
71.52019	0.4
72.99312	0.4
73.41476	0.3
81.81947	0.3
83.01378	0.6
84.02174	2.3
85.02952	16.4
86.03289	0.6
96.75640	0.3
108.42554	0.3
112.98563	3.9
112.99860	0.4
113.02454	6.5
114.01968	0.4
114.05610	10.4
125.04277	0.3
125.74853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.6376
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95900	31.9
79.92645	0.2
79.95744	0.2
80.96509	1.8
81.72269	0.1
94.98087	0.6
96.96953	2.4
150.97969	0.7
152.99579	43.4
153.99924	0.4
164.98611	0.2
171.00636	12.0
181.54333	0.1
197.14085	0.1
199.17868	0.1
214.41664	0.1
225.00691	0.6
227.03258	2.2
245.04294	54.8
246.04593	1.0
253.21709	22.1
254.22063	1.2
266.33163	0.1
323.59579	0.1
481.25687	100.0
482.26022	7.4
555.28308	1.9
556.28375	0.2
579.28491	2.4
580.28729	0.2
720.89581	0.2
1088.38806	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	1135.6394
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	29.2
96.96962	2.1
98.19945	0.2
107.75524	0.1
115.60239	0.1
150.98064	0.4
152.99580	37.5
153.99924	0.4
171.00632	10.7
227.03244	2.3
245.04292	50.5
246.04617	0.8
253.21713	21.8
254.22012	0.8
310.53317	0.1
481.25684	100.0
482.26019	6.4
524.82068	0.1
589.09760	0.2
748.87433	0.2
1121.61377	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	1137.7277
Annotation	Unknow
Peak:m/z	Relative Intensity
79.34540	0.1
80.05029	0.1
81.03457	2.9
83.01395	0.7
83.05023	6.9
84.05334	0.1
85.02951	1.9
85.19427	0.1
87.00848	0.1
89.02438	0.6
95.01358	0.4
96.95979	0.2
97.02914	0.1
99.00871	0.5
101.02437	3.0
107.06158	0.1
108.04539	0.3
108.97781	0.1
109.44450	0.1
111.00848	0.1
113.01718	0.1
113.02452	1.9
119.03562	0.1
122.55561	0.1
125.02433	0.2
125.07200	0.5
126.05605	0.2
129.01889	0.1
135.04535	0.1
143.03453	0.2
143.08255	0.3
146.43486	0.1
149.04549	0.1
152.18137	0.1
159.02977	0.3
161.02470	0.1
161.04565	1.3
179.03482	0.1
181.05048	0.2
207.15036	0.7
224.17690	1.4
225.16078	8.8
226.16496	0.4
240.77049	0.1
242.18741	0.3
268.16507	0.1
285.03586	0.1
290.22491	0.2
291.20746	0.1
309.21677	0.5
324.26535	0.3
333.22968	0.5
341.29395	0.4
350.24417	0.1
351.23846	0.2
355.21133	0.2
367.27066	1.3
373.22281	3.9
374.22662	0.2
385.28207	0.3
415.23358	8.1
416.23846	0.3
417.15237	0.2
417.20361	0.1
433.31693	0.9
434.32123	0.1
450.34479	0.9
451.32892	7.2
452.33072	0.7
459.16959	1.0
468.35660	0.2
535.38574	0.2
550.43634	0.9
559.39258	0.4
565.44482	0.3
567.45618	0.1
593.43878	0.7
594.44037	0.1
616.47833	0.1
659.48541	2.9
660.48865	0.3
677.49652	100.0
678.49963	11.0
679.50153	1.0
990.36975	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
54.20006	4.5
56.71586	4.1
58.00563	4.8
59.01374	71.5
61.00437	4.7
69.43764	24.1
69.44180	10.0
71.01379	100.0
71.05016	8.3
80.76543	4.7
87.00864	26.0
98.20631	6.9
114.93409	6.7
115.00370	47.0
116.07155	17.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Maleic acid
Peak:m/z	Relative Intensity
59.01371	9.5
71.01379	100.0
71.01777	5.1
71.50069	4.3
104.80939	3.3
115.00357	14.5
116.07178	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	1150.6283
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96512	0.3
83.05020	0.3
96.96960	0.3
104.97427	0.2
122.00143	1.1
122.98510	0.1
124.65315	0.1
126.83096	0.1
127.07681	0.2
134.98528	0.2
140.01175	5.5
147.07690	0.1
152.99583	2.0
166.02736	0.3
171.00688	0.1
196.03783	9.6
197.04083	0.2
208.67596	0.2
214.04836	2.5
225.00786	0.2
233.22676	0.5
259.20660	0.5
275.20163	0.5
277.21695	81.7
278.22055	4.3
316.72031	0.1
474.26212	100.0
475.26569	7.1
577.26868	0.6
1116.05310	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.6281
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96957	8.6
96.97592	0.4
133.63193	0.2
140.01178	0.7
150.98073	0.3
152.99576	23.4
171.00630	24.5
214.04779	0.6
215.54057	0.3
277.21689	0.5
382.21545	0.4
400.22617	3.5
401.22852	0.3
474.26227	100.0
475.26572	6.1
485.49387	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.5445
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95359	0.1
79.95731	6.4
80.96513	35.3
81.03457	0.2
81.18712	0.1
83.01396	0.2
85.02943	1.4
87.00874	1.4
87.04507	0.1
91.04028	0.1
93.97320	0.1
94.98082	9.8
95.01389	0.3
95.15237	0.1
96.96013	0.6
97.02946	1.0
99.00900	0.3
99.04514	0.1
101.02436	1.5
106.98087	1.8
107.01361	0.1
109.02892	0.1
113.02472	0.4
122.97579	3.6
125.02441	2.2
127.03989	0.7
134.97580	2.9
136.99142	0.9
143.03511	0.2
146.97563	0.2
148.99133	3.9
152.98628	5.0
155.00179	0.1
161.04576	0.1
164.98616	7.8
165.98965	0.1
167.00130	0.3
176.98618	0.1
179.00182	0.2
182.99672	1.5
188.98648	0.3
197.01071	0.1
206.99677	2.4
225.00726	16.8
226.01044	0.3
243.01772	1.4
277.21695	2.1
278.22000	0.1
297.48593	0.1
299.04391	2.9
300.04831	0.1
317.05502	0.3
343.61234	0.1
577.26813	100.0
578.27148	8.7
593.80823	0.1
666.45746	0.1
864.24500	0.1
878.86865	0.1
1113.47546	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	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42376	0.5
59.01371	1.7
70.62501	1.5
71.01376	2.0
73.02946	100.0
74.03281	2.0
87.00864	0.6
88.28645	0.5
88.49358	0.4
98.20016	0.6
99.00877	8.2
99.55595	0.5
103.35089	0.5
117.01947	18.3
137.35028	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01863	0.9
57.55056	0.5
59.01369	0.7
71.01380	0.9
71.20931	0.7
73.02943	100.0
74.03287	2.2
74.48454	0.4
99.00874	8.6
99.92609	0.7
116.92845	2.2
117.01934	16.2
118.02280	0.9
125.78447	0.5
136.84866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96793	0.4
55.24306	0.5
55.62798	0.4
57.89872	0.5
59.01386	0.6
62.83750	0.5
68.75890	0.4
73.02942	100.0
74.03288	2.0
98.20660	1.5
99.00866	7.6
99.92589	1.6
115.79559	0.6
116.92846	7.5
117.01935	15.8
117.92878	0.6
118.02275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
51.72832	0.3
59.44841	0.2
69.30486	0.4
69.30891	1.5
75.76189	0.2
78.62100	0.3
91.01897	0.6
93.03459	1.6
95.01392	0.5
97.17216	0.3
99.50118	0.3
108.02163	1.9
109.34029	0.2
121.02955	100.0
122.03287	3.9
130.35628	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0452
Annotation	Orcinol
Peak:m/z	Relative Intensity
55.49570	1.4
58.77272	1.4
67.01888	10.5
68.99813	4.3
69.21514	6.3
69.21941	7.9
79.95741	1.6
80.02675	3.8
81.03456	100.0
82.03773	2.9
87.92515	10.7
95.01385	27.9
95.05033	5.3
105.93580	3.4
107.28138	1.5
108.02180	5.3
115.66362	1.6
118.92553	1.5
122.03764	4.9
123.00903	17.7
123.04520	39.1
123.94640	3.6
124.04811	1.8
125.18496	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	129.0194
Annotation	Mesaconate
Peak:m/z	Relative Intensity
55.01864	8.6
57.03447	53.7
59.01362	7.7
63.36534	5.2
67.01885	100.0
68.99809	6.8
69.03436	6.8
71.01367	7.7
85.02949	51.2
85.06567	18.8
88.04042	54.6
101.02428	7.9
111.00870	6.6
128.90143	16.9
129.01912	38.6
129.05545	5.5
130.08763	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	129.0559
Annotation	3-Methyl-2-oxopentanoate
Peak:m/z	Relative Intensity
55.01863	4.0
57.03440	13.7
59.01362	5.6
67.01890	2.8
71.01353	2.8
71.49765	2.6
71.50118	2.7
72.99284	3.8
73.02912	3.7
83.05021	19.3
85.02950	19.3
85.06589	100.0
97.22864	2.8
101.02454	6.4
105.10982	2.5
111.04523	32.2
128.90182	21.7
129.01965	15.9
129.04001	2.7
129.05576	51.4
129.07597	2.7
130.05046	3.9
130.08710	11.9
140.72154	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	129.0559
Annotation	2-Ketohexanoic acid
Peak:m/z	Relative Intensity
70.98402	23.4
85.02944	14.5
91.59779	13.7
111.69199	15.0
129.05594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	3-(1-hydroxyethyl)butanolide
Peak:m/z	Relative Intensity
53.66177	11.1
57.03422	18.1
57.86865	11.6
68.75638	11.4
70.39539	10.3
71.05447	20.1
85.02946	30.3
85.06570	17.4
87.14171	11.0
95.88181	10.1
101.06073	11.9
111.00758	12.7
111.04531	13.0
126.67650	9.8
128.90167	25.5
129.05618	100.0
149.31473	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	130.0874
Annotation	Isoleucine
Peak:m/z	Relative Intensity
58.51392	0.7
70.81834	0.8
70.82166	1.3
73.02959	1.3
76.05051	0.7
78.48768	0.8
85.02954	1.1
87.04512	11.2
88.04012	3.5
130.08733	100.0
131.03439	3.6
131.09071	3.8
147.48109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	2-Acetolactate
Peak:m/z	Relative Intensity
52.01714	2.5
57.03439	13.4
59.01378	14.2
64.40099	2.5
64.89247	2.5
66.98934	3.0
69.03460	3.0
71.01379	55.2
71.50035	2.5
73.02943	100.0
75.00866	6.2
84.52839	2.3
85.02954	28.0
85.06597	7.3
87.04509	45.2
101.02439	7.4
103.03986	3.9
113.02466	7.0
125.92400	2.3
131.03491	21.6
131.07138	2.8
137.48752	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	131.0714
Annotation	Ethyl 3-hydroxybutyrate
Peak:m/z	Relative Intensity
55.01871	4.4
57.03440	11.2
59.01368	17.4
64.11948	3.7
64.19763	3.7
68.99805	14.6
69.03432	6.6
71.01383	50.7
72.99277	7.4
73.02943	90.8
75.00473	6.0
75.00869	79.3
83.01422	5.3
85.02950	37.1
85.06596	19.8
87.03971	4.6
87.04510	73.1
88.03984	4.2
98.20396	4.0
101.02399	10.5
111.81038	3.9
113.02448	11.7
131.03510	32.5
131.05028	4.7
131.07135	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	131.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01374	2.0
61.45247	0.9
69.03460	1.1
69.85958	4.8
71.01373	3.0
73.02944	8.9
85.02940	3.4
85.06586	100.0
86.06938	4.0
87.04498	5.2
92.51160	1.1
131.03543	1.4
131.07143	58.2
132.07462	1.9
148.60689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
57.03424	3.1
59.01368	4.1
68.99811	3.6
69.03445	2.0
69.35907	5.4
69.36312	1.7
69.78301	1.0
71.01380	10.4
72.99282	0.9
73.02950	25.3
75.00883	1.4
83.05018	1.2
85.02952	6.0
85.06589	100.0
86.06937	3.2
87.04520	16.5
88.04024	1.5
88.55358	0.9
101.02426	2.0
113.02455	3.1
113.06026	1.4
129.05591	2.2
131.03519	7.2
131.07140	57.9
132.07475	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01379	1.5
70.67128	2.3
71.01379	62.8
72.01713	1.3
72.98891	1.1
72.99303	15.6
76.14990	0.7
87.00858	1.9
89.02441	8.7
97.72877	0.8
115.00371	100.0
116.00677	1.9
130.81914	0.8
133.01424	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
61.39080	0.9
68.04962	1.0
69.46641	6.6
71.01380	62.5
72.01714	1.4
72.53019	1.0
72.99303	13.2
87.00858	3.6
89.02433	8.6
93.95778	1.0
104.95380	1.2
115.00367	100.0
116.00703	2.2
133.00465	1.9
133.01428	28.8
133.05058	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	133.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.9
63.00800	1.3
69.55391	9.3
71.01380	62.5
72.99307	18.6
76.12212	1.6
87.00890	2.9
89.02434	8.7
98.20596	3.0
111.48333	1.7
113.00543	1.6
115.00370	100.0
116.00716	2.4
133.01437	25.7
133.05099	5.2
135.48752	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	133.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31581	1.8
63.56891	1.9
69.51127	4.3
69.51537	6.3
71.01385	32.2
72.99303	3.7
77.03967	20.2
78.92474	2.0
84.67390	1.6
87.00864	13.0
87.04545	4.3
89.02441	3.3
89.03974	8.8
93.03430	2.3
94.52885	1.8
95.05029	24.9
95.72401	1.8
105.03461	77.1
106.03807	3.3
107.03678	3.2
115.00375	19.3
121.02965	6.1
123.04519	6.1
132.02153	14.2
132.86797	5.7
132.90031	5.3
133.01385	6.4
133.02960	100.0
133.05055	20.6
134.03302	3.6
134.04672	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	133.0296
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
55.39978	1.2
65.00327	1.8
69.79706	4.1
69.80118	3.8
71.01378	28.9
72.99296	1.4
74.75471	1.4
77.03960	21.3
87.00875	9.6
87.04523	4.8
89.02458	3.3
89.03958	7.5
93.03449	4.0
95.05024	25.8
98.19855	1.3
105.03465	65.5
106.03781	2.8
107.03642	1.7
115.00380	14.3
121.02933	1.5
123.04524	3.4
132.02165	12.9
132.86777	11.7
132.90038	5.1
133.01372	3.4
133.02959	100.0
133.05045	16.4
134.03340	4.5
134.04672	7.8
142.28983	1.5
149.02483	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	133.0507
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
57.22124	1.3
59.01367	2.9
60.18547	1.2
68.25764	1.2
69.87640	6.3
71.01380	100.0
72.01723	2.3
72.99311	10.0
87.00872	31.8
87.04515	5.9
88.62247	1.3
89.02428	12.4
92.02548	4.9
98.19917	2.6
107.03636	20.0
113.81635	1.0
115.00367	68.8
116.00694	3.0
132.86792	39.7
133.01427	22.6
133.04109	2.7
133.05067	39.1
134.04718	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	134.0473
Annotation	Adenine
Peak:m/z	Relative Intensity
56.15699	0.5
65.01462	0.9
71.27268	1.0
75.00869	2.7
76.32350	0.6
76.75890	0.6
92.02533	6.2
107.03632	25.7
108.03993	0.9
128.28726	0.6
134.04723	100.0
134.86545	6.8
134.89482	8.1
135.02972	1.1
135.04510	3.8
135.05234	1.1
153.42963	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72504	0.2
59.44890	0.2
64.03445	0.2
65.01436	0.9
68.09816	0.2
70.69311	0.5
72.99316	0.3
75.00878	1.9
76.56914	0.2
80.02551	0.4
86.89585	0.2
89.02460	0.2
91.03758	0.2
92.02544	6.7
95.26313	0.2
107.03637	26.5
108.03973	0.8
116.00694	0.4
134.04730	100.0
135.02980	0.7
135.04337	1.0
135.05072	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	135.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	10.0
69.91860	1.0
70.64719	2.6
71.01381	4.2
72.99306	16.4
75.00870	100.0
83.55688	1.1
87.00859	1.4
89.02439	10.2
112.87923	1.0
117.01941	2.6
124.44352	1.1
134.58244	1.1
134.86523	8.4
134.91623	3.4
135.02994	35.2
135.04523	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0301
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01378	10.0
69.91860	1.0
70.64719	2.6
71.01381	4.2
72.99306	16.4
75.00870	100.0
83.55688	1.1
87.00859	1.4
89.02439	10.2
112.87923	1.0
117.01941	2.6
124.44352	1.1
134.58244	1.1
134.86523	8.4
134.91623	3.4
135.02994	35.2
135.04523	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	136.0166
Annotation	3-Hydroxybenzoate
Peak:m/z	Relative Intensity
57.91394	1.9
67.01903	2.2
69.03452	3.3
71.27673	2.9
76.74110	1.9
79.01871	2.4
93.03452	25.7
93.70004	1.7
95.01380	12.6
98.20347	2.8
104.84483	1.9
108.02168	76.6
109.03003	2.3
124.70535	1.9
126.27022	1.6
135.89426	4.5
136.01660	100.0
136.04880	6.5
136.86287	8.9
136.89171	14.5
137.02449	42.0
150.17171	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	137.0245
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
65.03968	0.8
65.36391	0.3
66.70042	0.3
69.51330	0.6
69.51737	1.3
81.03461	2.6
91.01884	0.6
93.03451	6.5
108.02171	3.5
109.02965	3.0
119.01405	1.1
123.03324	0.4
136.01657	7.5
136.89209	0.8
137.02443	100.0
138.02773	5.2
138.05583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0197
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01859	0.4
65.55356	0.2
66.03454	0.4
67.01873	0.8
83.01391	0.8
83.01975	0.2
93.03448	0.8
94.02968	0.4
94.03169	0.4
94.03787	3.3
94.98080	0.5
95.01378	0.8
108.02166	48.3
109.02507	1.6
111.00885	2.5
123.03268	1.9
136.00385	0.3
137.89189	0.7
138.01962	100.0
138.05519	1.7
138.86028	0.7
139.00409	1.4
139.02319	3.9
139.04019	0.8
158.00363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
55.01857	0.3
56.93565	0.2
61.97897	0.3
63.08786	0.2
67.01884	0.5
68.99799	0.3
69.29126	1.8
83.01383	0.4
93.03452	0.3
94.03790	0.8
94.98113	0.4
95.01381	0.7
108.02174	49.8
109.02496	1.7
111.00877	1.5
115.16318	0.3
137.89209	1.3
138.01970	100.0
138.85997	0.5
138.88998	0.3
139.00392	1.0
139.02315	3.9
139.03981	0.4
158.55959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0561
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
55.01870	2.0
55.78001	0.9
57.50634	0.9
58.12692	0.7
61.98802	0.8
62.23458	0.7
65.99835	1.2
66.03485	1.9
67.01884	3.5
68.47819	0.8
68.99813	1.0
69.54465	1.3
69.54876	3.8
79.95743	0.9
83.01394	3.1
93.03434	2.6
94.02984	2.4
94.03787	8.5
94.98043	1.0
95.01357	1.1
95.05032	3.4
96.22989	0.7
97.02962	1.0
108.02159	6.0
109.02420	0.8
110.02462	2.3
111.00872	14.2
111.94901	0.7
116.57275	0.7
117.56949	0.7
120.04483	1.2
123.03259	75.8
124.01669	1.1
124.03589	3.2
124.33646	0.7
133.37198	0.8
136.00357	1.6
137.89185	3.4
138.01941	13.7
138.02812	8.3
138.05597	100.0
138.85991	1.5
139.00372	9.9
139.02258	0.9
139.03995	3.7
139.05931	3.0
139.07588	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	7.8
55.01884	18.4
59.01379	76.8
60.71756	5.2
70.66402	11.9
70.66741	5.9
71.01381	100.0
72.99361	5.9
80.99818	5.9
85.02972	10.2
86.22810	4.6
87.00886	20.3
96.99342	9.8
99.00882	9.1
109.94855	5.7
112.98797	19.8
115.00359	9.6
124.98808	37.2
125.02448	7.5
142.99872	72.9
143.03584	11.3
155.26295	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	143.0714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.1
59.01377	9.3
69.03458	12.5
70.20612	14.3
71.01385	46.1
71.05010	9.3
73.02959	6.1
81.03449	13.2
83.01386	6.1
83.05024	16.2
85.02953	26.4
87.00880	7.4
87.04543	4.9
97.02954	8.1
97.06598	29.1
99.04515	10.0
99.08157	100.0
113.02472	5.9
125.02442	15.7
125.06078	22.2
130.21960	3.8
143.03548	18.4
143.07127	27.4
143.10800	9.8
144.04564	20.8
144.06631	24.8
152.84381	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	143.0714
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
55.01873	9.6
57.03443	13.7
59.01377	15.2
61.82972	3.8
61.98819	11.4
63.78502	4.3
64.31609	3.8
67.01872	5.7
69.03459	19.9
70.99608	11.6
71.01379	87.0
71.05016	21.5
71.22038	3.8
71.51548	5.5
72.01698	4.1
73.02946	11.7
75.58510	3.7
81.03455	11.8
83.01382	9.0
83.05040	23.1
83.37769	4.4
85.02950	51.8
87.00877	13.3
87.04510	10.1
92.10560	4.5
97.02958	17.0
97.06584	25.5
99.00909	6.8
99.04533	14.1
99.08157	100.0
100.08504	4.8
101.02437	4.3
102.05596	4.7
107.04805	4.0
113.02475	11.9
115.00354	4.3
115.03996	5.2
117.11647	4.5
124.98784	8.7
125.02444	27.0
125.06079	31.4
126.05592	6.8
137.08136	3.5
142.98064	8.3
142.99863	11.0
143.03517	29.8
143.05257	5.3
143.07137	41.4
143.10780	18.4
144.04567	56.0
144.06651	96.5
151.52068	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	144.0455
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.49213	0.3
61.98844	0.4
65.99844	0.4
71.26598	0.5
83.05078	0.3
83.67673	0.4
94.24688	0.3
101.06071	0.4
102.03521	0.6
131.55067	0.3
144.04552	100.0
145.04907	5.2
152.97041	0.3
159.86064	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0456
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
53.23188	0.1
58.02955	0.2
59.01380	0.2
61.98823	0.5
65.99834	0.1
69.59958	0.6
71.01382	0.4
73.02940	0.2
77.94276	0.1
81.03440	0.2
83.01395	0.6
83.05022	0.4
85.02963	0.2
87.00860	0.2
88.00130	0.1
98.06157	0.1
98.20634	0.2
101.02444	0.1
101.06095	0.4
102.05580	0.3
116.05087	1.3
117.03447	0.3
126.03503	0.8
126.05615	0.4
142.02992	0.3
142.05093	0.2
144.04549	100.0
144.06613	4.1
144.96516	0.1
145.01375	0.1
145.03001	0.2
145.04904	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	145.0142
Annotation	2-Oxoglutarate
Peak:m/z	Relative Intensity
51.53800	4.1
52.14133	4.9
52.30907	4.2
57.03443	9.1
59.01374	11.5
63.53629	4.1
66.19134	4.6
70.83776	5.2
71.01384	27.7
72.99303	6.8
73.02946	21.2
83.01414	10.2
86.86001	4.8
87.00875	15.0
99.00857	10.8
101.02445	100.0
102.05641	11.6
115.00358	15.3
127.00414	6.0
139.65881	4.5
145.01427	16.4
146.04802	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	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
50.27145	8.1
55.01870	10.4
59.01385	44.5
70.65772	19.9
70.66137	10.9
71.01382	100.0
72.99310	15.3
73.02923	19.1
74.02465	10.4
76.11564	9.0
79.00378	8.6
79.18253	8.9
83.01377	23.6
87.00884	62.2
97.88987	8.3
99.00898	35.2
101.02449	74.1
102.05609	56.3
109.04047	8.5
115.00383	78.2
127.00401	26.1
127.05173	16.0
128.03528	22.2
145.01430	38.6
145.06250	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	145.0143
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
50.15268	9.5
54.36460	8.8
55.01884	13.9
57.03429	16.0
59.01369	37.3
66.90969	10.7
71.01383	100.0
71.06948	15.4
72.99296	22.2
82.67726	10.1
83.01385	25.6
87.00882	91.8
101.02429	62.8
112.98853	17.5
115.00384	90.5
127.00397	34.7
132.41046	10.6
145.01436	54.8
156.10588	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
69.34954	6.7
73.57364	0.7
77.03908	0.8
83.05035	1.4
88.89919	0.9
97.06577	2.3
98.20613	1.3
99.08156	100.0
100.08482	3.2
101.06068	1.1
104.36747	0.8
106.76710	0.7
108.09002	0.8
125.26067	0.7
127.07671	1.3
143.07147	0.9
145.05025	1.2
145.08702	54.2
146.02425	1.1
146.09058	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	147.0299
Annotation	2-Dehydro-3-deoxy-D-xylonate
Peak:m/z	Relative Intensity
50.66163	2.8
51.29618	2.7
55.01868	6.2
57.03446	7.2
58.00591	5.4
59.01374	49.4
61.98831	81.5
64.86160	2.5
68.99808	3.2
71.01379	100.0
71.49986	5.6
72.99302	8.4
75.00893	18.0
75.87831	2.6
83.01376	4.1
85.02940	19.1
87.00854	6.2
89.02444	8.3
92.95982	5.2
99.00867	48.6
101.02443	16.6
102.84650	2.7
103.03996	3.8
104.86140	3.0
117.01939	5.0
119.05006	3.2
129.01959	6.7
138.37317	2.9
147.01976	13.2
147.02960	9.8
147.04506	36.9
147.06567	15.1
148.04056	3.2
166.28516	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	147.0664
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
55.01886	1.9
57.03450	26.8
59.01367	13.3
61.98827	60.1
71.01373	13.7
71.45852	2.2
73.02950	15.7
75.00866	3.2
85.02950	100.0
86.03276	2.6
89.02484	2.0
99.00893	7.1
101.02438	60.9
101.06084	13.6
102.02756	1.7
103.04013	23.7
129.01935	2.0
147.02971	3.1
147.06631	93.1
148.07022	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	147.0663
Annotation	(2-Ethoxyethoxy)acetic acid
Peak:m/z	Relative Intensity
57.03446	22.6
59.01376	6.3
63.98687	1.2
70.06479	4.9
71.01379	9.0
71.05023	4.6
72.99289	2.1
73.02940	10.1
73.88210	1.2
75.00883	1.7
81.69930	1.4
85.02948	97.3
86.03281	1.9
87.00863	3.4
90.76164	1.4
92.95982	2.1
99.04528	2.3
101.02441	51.7
101.06074	16.8
103.04010	19.7
129.01913	2.2
129.05507	1.2
139.21399	1.4
147.02979	2.6
147.06631	100.0
148.06975	4.3
169.50102	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	SCHEMBL14401414
Peak:m/z	Relative Intensity
50.48909	1.2
56.23528	1.3
56.72005	1.1
59.01378	12.2
63.30985	1.0
69.03468	3.4
71.01379	30.6
71.20016	1.9
73.02948	23.4
75.00842	3.0
85.02960	1.6
87.00874	11.5
89.02443	100.0
90.02783	1.5
96.95632	1.1
98.24404	1.4
103.04002	7.6
105.40130	1.3
111.40865	1.2
130.93442	1.3
131.03485	14.1
149.04559	53.0
150.04938	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	149.0455
Annotation	SCHEMBL14401414
Peak:m/z	Relative Intensity
59.01381	17.4
69.03461	2.1
71.01377	33.2
73.02949	21.9
75.00851	2.2
85.02956	2.3
85.05781	1.4
87.00878	14.0
87.88608	1.6
88.45341	1.5
89.02446	100.0
90.02798	2.2
93.20170	1.5
101.02436	1.4
103.04003	6.8
109.80930	1.5
121.02952	4.6
131.03519	14.0
149.02628	2.9
149.04561	49.5
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
51.02374	0.2
67.01891	0.2
69.03471	0.2
71.23967	0.3
79.01892	0.4
88.28921	0.2
92.02702	0.4
95.01392	1.1
98.20341	0.2
108.02172	4.9
110.03717	0.2
123.00924	0.2
123.04512	0.2
136.01657	100.0
137.01994	3.0
151.04002	11.7
152.90401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0353
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
56.86584	0.3
65.00314	0.9
65.03967	0.4
66.03483	20.9
71.52348	0.4
75.25529	0.3
80.96505	0.4
81.03453	1.1
102.02749	0.4
107.05007	0.6
108.02175	10.3
108.04565	0.8
108.05299	0.7
109.02957	11.0
109.06569	0.4
110.00085	2.2
121.02940	1.0
122.03741	36.8
123.04633	2.2
124.04009	0.4
124.04841	0.5
124.98888	0.4
125.02436	1.0
134.03714	0.4
135.04536	0.5
136.01625	0.7
137.01999	3.4
137.99594	2.5
138.03328	0.3
151.00372	0.5
151.87396	0.4
152.03525	100.0
152.07027	3.0
153.01949	5.6
153.03864	3.2
153.05565	0.7
162.63162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
57.97673	0.2
59.83495	0.2
59.92943	0.2
65.00313	0.3
66.03484	12.5
68.99838	0.3
69.03458	0.3
70.46954	0.9
71.01373	0.3
81.03463	0.7
83.01395	0.4
85.02988	0.3
95.01400	0.3
95.04998	0.3
98.20476	0.4
107.05002	0.3
108.02171	11.1
108.04555	0.6
109.02947	11.1
110.00102	1.6
121.02957	0.8
122.03738	33.3
123.04485	1.8
124.04061	0.4
124.04865	0.5
125.02453	1.4
134.03749	0.3
135.04503	0.8
136.01596	0.3
137.01956	1.2
137.99567	2.0
151.87405	1.6
152.03525	100.0
153.01961	5.4
153.03879	3.5
153.05524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0714
Annotation	Cleroindicin C
Peak:m/z	Relative Intensity
51.81123	2.3
55.01866	6.7
56.92087	2.5
57.01610	2.4
58.00607	12.1
59.01378	83.6
64.81651	1.9
65.03958	3.1
67.01891	5.7
68.99815	2.8
69.03444	4.7
69.47227	12.5
71.01385	17.3
71.05012	5.7
72.02156	9.0
72.87445	2.2
72.99304	9.8
73.37228	1.9
78.95899	9.0
79.05542	2.3
80.02672	3.0
81.03442	6.9
81.07101	3.9
83.01380	29.5
83.05020	19.3
84.00893	3.2
84.02155	8.3
84.04549	8.1
85.02945	7.9
86.00094	21.7
93.03466	19.1
95.01372	6.6
95.05021	61.0
95.54887	2.0
96.96026	11.3
96.96955	6.7
97.02928	3.3
97.06579	20.7
98.02522	2.5
98.20643	2.9
99.00848	2.8
99.04506	3.1
99.08157	43.0
99.08756	3.8
99.92571	8.2
100.01643	2.7
107.05030	100.0
108.02129	3.3
109.02943	2.2
109.06581	9.7
111.00867	8.5
111.04507	35.1
111.08179	5.5
112.04067	9.9
113.02452	5.1
113.06082	20.0
114.05615	27.3
114.12928	2.2
123.04522	4.8
125.06081	41.6
127.00349	6.2
127.07648	32.7
137.02402	9.0
137.06078	6.7
140.01149	20.2
144.00499	2.3
154.86818	4.3
154.99832	6.9
155.03578	18.0
155.07129	29.7
155.10774	3.5
155.86551	28.9
156.06653	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	155.1078
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
55.01873	2.8
59.01376	5.0
65.00323	0.5
66.21340	0.5
67.01882	2.1
69.03452	0.6
69.50511	2.9
71.01367	1.4
80.85933	0.4
80.94101	0.6
81.03482	1.1
82.18558	0.5
83.01385	24.9
83.05009	2.5
84.00897	1.9
84.01677	0.9
84.04521	1.0
85.02942	3.0
93.03449	3.6
95.01398	1.3
95.05007	0.6
96.95988	0.8
98.00085	1.2
98.20608	1.1
99.92574	1.8
109.02944	1.6
110.02573	0.6
111.00872	3.7
111.04552	2.7
111.08143	3.6
112.04019	0.5
113.02423	2.3
114.05598	5.7
125.09627	0.5
127.00385	2.9
128.10857	0.5
129.09203	0.6
137.02454	2.1
137.06068	0.6
137.09706	1.3
140.01146	6.8
141.01503	0.5
153.09213	0.6
154.86874	2.8
154.99832	3.8
155.02490	0.5
155.03575	4.0
155.07288	2.6
155.10770	100.0
155.86551	14.2
156.06644	2.2
156.11235	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	158.0823
Annotation	5-Acetamidopentanoate
Peak:m/z	Relative Intensity
55.01888	1.9
57.03456	2.4
58.02985	1.5
58.63241	0.4
59.01385	6.7
60.01727	0.5
61.19134	0.5
61.98858	1.3
68.99825	2.5
69.03458	1.0
70.97185	1.0
71.01380	12.0
72.04577	0.6
72.99320	1.3
73.02943	10.6
75.00889	1.9
83.01377	2.6
83.24490	0.5
85.02955	3.7
85.99668	0.9
86.06118	0.5
87.00873	6.2
87.04523	0.8
95.01402	0.5
95.05008	0.5
95.76718	0.5
96.99319	0.5
97.02974	1.1
97.06587	2.2
97.64532	0.4
99.00886	4.4
99.92594	1.7
101.02428	7.1
111.00883	6.7
113.02440	2.6
113.06096	0.5
113.09738	0.7
114.05628	0.9
114.09250	8.0
114.92050	1.0
114.94910	0.6
115.00364	0.9
115.03970	0.6
115.07626	1.1
115.92033	0.6
116.07174	100.0
116.92854	3.7
117.01935	0.5
117.07507	2.6
127.03998	1.9
128.00722	0.8
128.05028	0.5
129.01944	8.9
130.06577	0.6
135.28505	0.4
141.01927	0.9
157.86269	3.0
158.03589	1.8
158.06094	1.9
158.08206	18.3
158.89291	3.4
159.02986	13.3
159.04324	0.7
159.06584	1.5
159.10263	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	158.0822
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
53.15942	0.4
55.01900	0.6
57.03443	1.3
58.02977	2.0
59.01371	3.4
68.99817	0.5
69.03474	0.8
70.84325	0.6
70.84663	0.6
71.01382	3.9
71.05011	0.6
73.02942	2.8
79.27651	0.4
83.01376	0.6
85.02949	1.6
85.06578	0.7
86.06116	1.3
87.00882	1.7
87.04511	0.7
95.94141	0.4
97.02937	1.9
97.06570	0.6
99.00884	1.6
101.02449	1.7
103.92022	0.9
111.00886	1.5
112.04019	0.9
113.02444	1.0
114.05595	2.1
114.09243	6.1
115.03976	0.8
116.07169	100.0
117.05576	1.7
117.07506	2.7
129.01913	1.8
141.01918	0.5
155.20389	0.5
158.04591	0.8
158.08212	18.1
158.89313	7.3
159.03017	3.6
159.04231	0.7
159.06607	1.0
159.08557	0.6
173.49612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1027
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
55.01865	0.5
57.03443	0.7
59.01368	1.3
68.99814	0.9
69.03463	0.7
69.18254	0.3
70.25667	0.5
70.26058	0.6
71.01376	2.8
72.99300	0.5
73.02945	3.5
83.01390	0.8
85.02951	0.9
85.34365	0.3
87.00880	2.1
88.04031	0.4
95.01365	0.4
97.03011	0.5
97.06593	0.5
99.00871	1.3
101.02434	1.8
111.00877	1.7
111.08177	0.4
113.02465	0.9
113.09727	18.3
114.10101	0.3
114.92003	0.4
115.07690	0.4
116.92877	0.6
123.08142	0.4
129.01944	1.6
137.19662	0.3
141.09203	1.8
157.08711	1.1
158.89313	0.5
159.03001	3.4
159.10266	100.0
159.89424	0.6
160.10590	3.1
168.07649	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67726	0.5
55.01876	0.6
56.05037	0.7
56.94497	0.4
57.03448	7.4
58.00587	0.6
58.02972	8.5
59.01378	12.4
60.99284	0.9
61.98818	1.2
63.47102	0.5
67.45090	0.5
68.99792	0.5
69.03471	0.5
69.26007	0.5
70.02973	2.2
71.01380	20.2
71.05016	1.5
71.19189	1.6
72.04555	1.2
72.99299	2.2
73.02938	4.6
74.02470	17.7
74.75381	0.5
75.00863	0.9
81.03440	0.9
83.01369	1.7
84.04543	25.6
85.02947	9.4
85.04882	0.5
86.06104	1.4
87.00875	15.1
88.04036	100.0
89.02435	2.4
89.04367	1.3
95.01401	0.6
97.02969	0.8
98.02477	5.2
98.03112	0.7
98.06119	8.4
99.00885	6.5
99.04502	1.3
101.02453	1.9
103.92033	0.8
112.04028	1.6
113.02464	1.4
113.63808	0.5
114.05602	1.6
115.48566	0.5
116.03536	3.5
117.05571	0.8
117.27029	0.5
118.05088	6.8
120.33849	0.5
130.05092	24.7
131.03500	5.0
142.05040	1.0
142.89172	0.7
143.03511	0.5
143.89008	0.6
159.89380	10.2
160.06146	23.1
160.89253	7.9
161.04538	2.9
173.14085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90092	1.0
56.05009	1.0
57.03446	8.6
58.02978	9.9
59.01381	18.6
61.98835	2.4
69.03447	1.0
69.46802	3.5
69.47207	2.3
70.02970	1.8
71.01378	20.3
71.05011	3.5
72.99290	2.5
73.02940	8.2
73.06594	1.1
74.02473	11.6
75.00898	1.0
80.64947	0.8
81.03454	3.0
83.01384	5.7
84.04543	27.0
85.02953	22.8
86.06124	1.9
87.00879	6.4
87.72120	0.9
88.04038	100.0
89.02422	4.9
89.04379	1.0
91.37045	0.8
95.01388	1.8
97.02924	1.6
98.02478	5.8
98.06112	9.9
99.00877	7.4
99.04523	3.2
101.02463	3.0
102.70304	0.8
112.04041	2.0
113.02441	3.6
114.05629	1.9
115.04024	1.2
116.03519	3.3
117.05576	3.2
118.05099	7.7
122.42843	0.9
130.05104	23.9
131.03503	9.5
131.04395	1.6
142.05095	1.3
142.97887	0.9
143.03474	1.8
160.06143	22.4
160.89326	1.0
161.04550	9.5
162.26515	1.0
167.69441	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0091
Annotation	4-Hydroxy-2-oxoglutarate
Peak:m/z	Relative Intensity
51.89951	0.8
52.96665	0.7
55.01865	2.7
57.03449	6.7
58.00588	2.9
59.01379	54.5
59.03940	0.8
60.99324	0.8
62.74707	0.8
68.99812	2.7
69.03448	2.8
69.61473	4.7
70.23225	0.7
71.01382	96.1
71.05000	3.9
72.01726	1.0
72.99305	10.7
73.02946	20.6
75.00874	3.0
77.89824	0.7
81.03462	6.5
83.01383	10.6
84.02160	0.9
84.04508	0.9
84.80250	0.7
85.02950	48.0
85.04877	1.2
87.00876	100.0
87.04530	1.9
88.01212	1.9
88.04061	4.2
89.02438	13.6
89.04372	4.8
95.01373	2.9
97.02943	3.8
99.00882	30.8
99.04524	6.3
101.02438	9.5
103.92005	2.9
111.00857	1.1
112.98790	1.1
113.02433	8.0
115.00364	2.0
115.03976	1.3
117.05589	3.0
130.05104	1.0
131.03506	24.9
131.05455	1.4
133.02899	0.9
140.63597	0.8
143.03497	3.1
143.89021	1.0
144.89169	1.0
158.44917	0.8
159.02919	1.1
160.89264	18.9
161.00896	2.6
161.02422	2.9
161.04561	15.2
161.06572	2.0
161.07944	0.9
161.89427	7.3
175.84520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89951	0.8
52.96665	0.7
55.01865	2.7
57.03449	6.7
58.00588	2.9
59.01379	54.5
59.03940	0.8
60.99324	0.8
62.74707	0.8
68.99812	2.7
69.03448	2.8
69.61473	4.7
70.23225	0.7
71.01382	96.1
71.05000	3.9
72.01726	1.0
72.99305	10.7
73.02946	20.6
75.00874	3.0
77.89824	0.7
81.03462	6.5
83.01383	10.6
84.02160	0.9
84.04508	0.9
84.80250	0.7
85.02950	48.0
85.04877	1.2
87.00876	100.0
87.04530	1.9
88.01212	1.9
88.04061	4.2
89.02438	13.6
89.04372	4.8
95.01373	2.9
97.02943	3.8
99.00882	30.8
99.04524	6.3
101.02438	9.5
103.92005	2.9
111.00857	1.1
112.98790	1.1
113.02433	8.0
115.00364	2.0
115.03976	1.3
117.05589	3.0
130.05104	1.0
131.03506	24.9
131.05455	1.4
133.02899	0.9
140.63597	0.8
143.03497	3.1
143.89021	1.0
144.89169	1.0
158.44917	0.8
159.02919	1.1
160.89264	18.9
161.00896	2.6
161.02422	2.9
161.04561	15.2
161.06572	2.0
161.07944	0.9
161.89427	7.3
175.84520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
55.01867	4.8
57.03448	19.0
58.00590	4.1
59.01378	79.2
69.03455	6.3
69.24612	7.8
69.25021	2.9
71.01379	81.1
71.05013	7.2
72.99303	11.7
73.02946	39.7
74.94405	1.3
75.00871	4.6
78.46998	1.2
81.03452	15.0
83.01385	24.4
84.02149	2.4
85.02950	100.0
87.00876	30.6
87.04526	2.1
89.02443	23.6
95.01385	4.7
97.02936	7.8
99.00879	14.1
99.04510	11.5
101.02443	16.7
113.02441	15.7
115.03976	3.0
117.05557	3.8
125.02422	2.2
129.01881	2.2
131.03505	46.7
133.02977	1.4
133.05063	1.3
143.03477	3.4
156.14851	1.2
160.84189	8.6
161.02419	4.3
161.04543	37.3
161.05904	2.6
171.16582	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0455
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
50.33772	1.4
55.01867	3.6
57.03447	23.0
58.00576	4.3
59.01378	74.4
67.32971	1.3
69.03439	4.5
69.46727	4.0
69.47122	4.0
71.01382	72.3
71.05025	6.8
72.99306	10.2
73.02943	39.4
75.00860	4.1
81.03472	11.6
83.01384	20.3
83.57426	1.2
84.02172	2.4
85.02950	100.0
87.00875	18.3
87.04502	2.0
88.04047	3.4
89.01934	1.9
89.02446	23.6
89.04366	2.0
89.16282	1.2
89.19241	1.2
95.01385	8.1
97.02951	9.6
99.00865	5.2
99.04515	15.5
101.02454	13.7
103.61176	1.6
113.02444	20.2
115.04002	3.4
117.05608	6.5
117.11491	1.2
123.81866	1.1
125.02393	1.3
130.88748	1.2
131.03497	50.4
134.58293	1.4
143.03485	11.8
161.02495	1.8
161.04546	38.2
169.68962	1.4
171.45888	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	161.0819
Annotation	D-Cymarose
Peak:m/z	Relative Intensity
57.03434	1.7
58.00565	0.7
59.01383	6.3
59.98488	0.9
60.59367	0.7
69.03445	1.6
69.97261	2.4
71.01010	1.1
71.01382	14.5
71.05020	23.4
72.99290	1.1
73.02941	5.3
75.00851	1.1
81.03446	1.6
83.01399	1.4
85.02949	10.0
87.04515	15.2
89.02444	2.2
94.73785	0.9
99.04517	75.0
100.04839	1.1
101.02444	1.4
101.06078	0.9
102.61378	0.7
113.02429	1.3
115.04011	47.0
115.07644	10.6
116.04340	1.4
117.05579	26.9
119.59274	0.8
131.03433	4.2
161.04585	3.5
161.08189	100.0
162.08554	3.3
176.07922	0.9
183.71986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27097	0.8
59.01371	1.8
69.03452	1.0
69.29720	3.0
69.30145	3.0
70.69685	0.9
71.01007	1.1
71.01384	12.6
71.05018	23.0
71.05415	1.2
73.02955	1.7
79.11185	0.6
81.03436	0.8
85.02937	3.8
85.99858	0.6
87.04514	16.4
89.73292	0.8
90.35207	0.7
99.04516	71.1
100.04865	1.5
101.02406	0.9
101.06041	1.0
115.04008	49.0
115.07639	9.5
117.05575	31.4
131.03474	1.3
161.04564	1.8
161.08188	100.0
162.08490	3.2
173.63698	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1122
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
61.98828	25.5
70.58741	3.6
70.59078	2.3
73.18665	1.8
81.55645	1.8
82.04101	1.8
98.20610	1.7
99.16796	1.5
109.23414	1.5
116.92092	20.8
117.91883	2.7
118.99249	9.4
119.05030	78.8
120.05341	3.6
121.05184	4.0
126.25224	1.9
162.89333	2.1
163.00388	4.0
163.03999	7.8
163.11284	100.0
164.11636	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	164.0716
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
58.87498	0.6
70.83231	1.4
72.00907	37.7
80.38915	0.7
91.05519	2.8
98.41026	0.6
103.05544	5.9
109.41413	0.5
119.05016	1.7
121.02958	2.4
137.02441	1.3
145.79047	0.6
146.60818	0.6
147.04517	100.0
148.04875	3.1
160.53955	0.5
164.07161	51.0
165.01958	1.2
165.07507	1.4
168.48245	0.6
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	Tricaine
Peak:m/z	Relative Intensity
56.01254	0.3
59.01369	0.5
60.15580	0.3
61.98825	0.4
63.97231	0.3
65.99816	0.3
68.99834	0.3
71.01389	0.3
71.52023	0.3
72.00904	0.6
77.03960	1.4
80.05063	2.4
89.02483	0.3
92.01445	0.4
92.05083	1.2
92.99809	0.3
93.03458	2.1
94.03719	0.3
95.01398	0.4
96.04527	0.4
108.08199	2.0
109.02937	0.7
117.91936	0.9
119.05022	2.6
120.04546	2.6
120.05344	12.9
121.02956	35.3
121.05338	3.3
121.06570	0.5
123.04495	0.7
124.04041	0.4
135.04520	0.7
136.04030	2.8
136.07678	14.2
137.02451	2.8
137.04858	1.9
137.08017	0.4
147.04523	2.9
149.04829	4.9
149.61273	0.3
150.02025	0.5
150.03223	1.2
152.03494	0.7
153.04376	1.5
164.03439	4.5
164.07158	100.0
164.83624	1.0
164.89606	1.4
165.01926	5.3
165.04092	0.6
165.05493	1.8
165.07553	2.8
165.08841	0.5
181.03781	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	165.0192
Annotation	Terephthalate
Peak:m/z	Relative Intensity
55.01861	0.3
57.03445	0.2
59.01104	0.3
59.01377	2.4
59.54429	0.2
68.99811	0.2
70.05945	0.8
71.01377	1.6
72.99312	1.4
73.02942	0.6
75.00868	11.3
75.35381	0.2
77.03959	5.3
77.04403	0.3
80.27015	0.2
85.02957	0.4
87.00873	20.5
88.98799	0.9
89.02422	0.9
92.93273	0.3
93.03475	1.0
98.20064	0.3
99.00889	2.2
101.02456	1.0
105.01930	17.2
117.01939	0.6
119.03486	0.2
119.04994	0.2
119.25443	0.2
121.02951	100.0
122.03249	1.9
129.01942	1.5
135.02972	0.5
137.02473	1.1
147.03003	2.2
147.04260	0.3
150.03127	0.3
164.74579	0.2
164.89543	3.7
165.01932	9.7
165.04048	18.1
166.02167	0.3
170.79974	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Piperonylic acid
Peak:m/z	Relative Intensity
58.54867	0.4
61.98826	0.7
65.03970	1.1
67.01901	0.9
70.98141	1.1
81.03456	3.5
83.99832	0.5
87.00877	0.8
91.01903	1.4
93.03466	4.0
95.01387	2.4
108.02174	6.4
109.02952	12.7
111.00896	1.9
119.01395	0.7
119.05065	0.8
121.02956	31.6
122.03629	0.5
123.00880	3.3
123.04540	0.7
124.01639	2.9
136.01654	8.3
137.02449	100.0
138.02820	2.8
147.04533	0.6
150.03180	1.3
164.08444	0.5
164.83589	0.6
164.89563	0.7
165.01930	81.0
165.05463	2.3
166.02306	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	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
51.97667	0.3
61.98854	0.4
62.64589	0.3
69.55807	0.8
69.56212	1.2
77.03957	2.5
91.01900	0.4
93.03455	2.1
97.68556	0.3
108.02164	0.5
109.02956	0.6
112.87589	0.3
119.05004	0.3
121.02957	100.0
122.03263	2.1
123.04521	0.5
135.04510	0.6
137.01462	0.4
137.02449	1.8
147.04535	0.7
150.03195	0.7
164.83624	0.4
164.89566	0.8
165.01933	11.8
165.04115	0.7
165.05493	1.6
179.33043	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0403
Annotation	L-Xylonate
Peak:m/z	Relative Intensity
52.15333	0.7
57.03457	1.6
59.01380	10.6
70.66676	1.7
70.67029	1.0
71.01384	8.3
72.99310	6.8
73.02940	3.4
75.00871	53.3
76.75142	0.6
78.69487	0.7
83.01361	1.1
85.02944	1.6
87.00874	100.0
88.01194	1.4
89.02442	3.4
97.70016	0.6
99.00874	13.8
100.18262	0.6
100.37377	0.7
101.02451	4.4
104.19012	0.8
105.01933	76.6
106.02245	1.8
111.00877	1.0
117.01944	3.2
121.02943	3.3
129.01953	7.4
135.02985	2.4
137.02541	0.9
147.02997	11.5
155.73517	0.8
165.04039	78.5
166.04303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59068	0.1
59.01368	0.6
59.96707	0.4
65.00319	0.6
66.03494	0.1
67.01878	0.2
67.13702	0.1
69.80441	0.1
70.69456	0.5
71.01360	0.3
72.99310	0.3
73.01155	0.3
74.99072	10.9
75.00869	0.3
75.96222	0.2
76.97008	0.2
77.03968	1.4
80.45819	0.2
81.03430	0.2
87.00866	0.6
89.02456	0.3
89.47495	0.2
91.02229	5.1
93.00140	3.8
93.03463	1.8
95.01406	0.2
95.05043	0.4
101.02444	0.2
105.01943	0.3
106.04289	0.2
107.05033	0.4
108.02175	0.3
108.04490	0.3
109.02960	0.8
111.00944	0.2
115.09691	0.2
118.96249	0.3
119.05043	0.6
120.67416	0.2
121.02958	28.6
121.06535	0.4
122.02503	0.2
122.03255	0.5
122.06064	0.3
123.00890	0.2
123.04535	0.7
135.04517	0.8
137.02455	2.5
137.06049	0.5
147.03058	0.2
147.03423	0.2
147.04509	1.1
149.00958	100.0
150.00908	4.4
150.03195	1.7
150.98880	0.7
164.83641	0.2
164.89603	0.7
165.01976	5.7
165.04097	17.7
165.05539	2.2
165.09175	2.9
166.01283	0.2
166.03983	0.8
167.02042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0509
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
69.03423	0.4
69.36551	2.9
78.95887	0.5
79.95702	0.6
85.66434	0.3
92.05051	4.1
92.40744	0.4
94.02986	1.6
108.02178	1.1
108.04554	88.4
109.04883	1.9
110.06145	0.8
120.04544	4.3
122.02458	1.3
122.03293	1.9
123.03283	0.8
123.04521	1.0
124.04134	0.4
136.04053	9.5
138.05608	100.0
139.05965	2.5
139.49763	0.4
148.04089	0.7
152.01164	1.5
152.03525	2.2
164.03568	0.6
166.05089	61.5
167.03523	1.0
167.05402	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	167.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22976	1.0
57.03428	2.1
57.69642	1.0
59.01367	2.3
62.65142	1.0
65.00339	1.7
65.03962	1.4
67.01883	4.5
68.99803	2.6
69.03455	6.3
70.12167	4.0
71.01351	2.4
71.04976	1.6
78.95914	1.6
79.01900	2.9
79.05535	2.9
80.02673	4.5
80.05032	1.6
81.03445	9.2
83.01385	2.0
83.05025	5.9
84.02183	5.3
85.02943	4.3
91.01886	4.0
91.73605	0.9
93.03460	6.9
93.07047	2.0
95.01382	11.4
95.05027	13.7
96.02191	1.1
97.02942	9.0
97.06591	9.0
98.03718	4.2
98.20622	1.5
105.07105	4.5
106.04254	1.7
107.01373	2.3
107.05045	2.0
108.02173	47.7
108.04536	1.0
109.02976	8.6
109.06589	11.3
110.03742	7.7
111.00887	2.7
111.02007	1.5
111.04504	4.0
111.08153	33.6
112.01675	18.6
121.02959	8.7
121.06608	15.3
122.03733	4.1
123.00900	11.3
123.04522	100.0
123.08144	11.0
124.01666	27.8
124.04022	2.0
124.04824	1.7
125.02502	5.0
125.06084	2.3
132.86771	3.2
134.03712	2.7
135.00912	6.1
137.02417	4.7
137.06096	3.2
138.03223	3.4
138.06816	2.0
139.00412	1.6
139.04025	16.5
139.07645	64.5
143.45294	1.1
149.02475	7.1
149.06070	35.8
152.01147	98.3
152.04733	2.0
153.00581	2.2
153.01627	1.5
167.03487	82.6
167.07129	42.7
168.03889	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	167.0713
Annotation	3-(3,4-Dihydroxyphenyl)-1-propanol
Peak:m/z	Relative Intensity
54.70881	1.0
57.03421	1.1
59.01381	1.6
62.48517	1.0
65.00305	2.0
67.01879	3.9
68.99813	1.6
69.03458	5.1
70.69054	2.3
71.01387	2.9
78.95898	2.5
79.01892	3.0
79.05542	2.1
80.02670	3.4
81.03448	7.9
82.02995	1.3
83.01385	2.1
83.05016	5.0
84.02172	4.9
85.02940	3.5
91.01881	3.3
93.03466	8.2
93.07093	2.8
95.01375	8.7
95.05031	12.7
96.51350	0.9
97.02937	8.0
97.06601	8.2
98.03732	3.8
105.07100	3.3
106.04269	1.0
107.01382	1.5
107.04998	1.7
108.02168	38.0
109.02993	7.6
109.06590	10.4
110.03742	5.3
111.00883	1.2
111.01987	1.6
111.04520	3.8
111.08157	35.0
112.01664	17.8
121.02952	7.3
121.06596	12.2
122.03719	5.1
123.00895	8.8
123.04519	100.0
123.08130	10.0
124.01663	26.9
124.04783	2.2
125.02431	3.3
125.06083	2.0
132.86769	2.1
134.03711	1.7
135.00880	3.6
137.02429	5.2
137.06049	2.0
138.03232	4.4
138.06892	1.4
138.69690	0.9
139.00363	1.4
139.03999	13.8
139.07642	60.8
149.02461	8.4
149.06076	36.0
149.07271	2.0
152.01144	84.7
152.04703	1.9
153.00497	1.0
153.01598	1.9
159.03622	1.0
166.51102	1.0
167.03487	92.4
167.07127	38.3
168.03856	2.2
168.07704	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70271	0.3
58.02975	100.0
59.03310	0.4
61.40172	0.2
61.98794	0.3
63.21349	0.3
68.99806	0.6
69.03445	0.3
70.02982	0.7
70.79790	0.4
70.80121	0.4
81.03445	0.3
82.95408	0.4
83.05066	0.3
97.02984	0.3
100.03432	0.2
107.36602	0.3
108.04558	0.4
110.93386	0.3
116.95206	0.3
122.89381	0.3
124.04891	0.3
125.02442	5.2
125.09773	0.3
132.86784	1.1
153.00572	0.3
168.13913	11.2
168.83597	0.8
168.98921	0.4
169.01413	2.6
169.14207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0869
Annotation	Boonein
Peak:m/z	Relative Intensity
51.49538	1.6
57.03431	2.6
59.01377	8.6
63.72211	1.7
64.96780	1.6
65.00300	4.2
68.99815	3.3
69.03461	17.0
71.01377	8.7
71.04987	3.8
71.51318	2.3
81.03438	5.2
82.18269	1.5
83.01393	2.3
83.05043	3.6
85.02963	4.2
93.03445	2.6
95.01373	1.9
95.05013	6.6
97.02952	8.8
97.06575	7.6
98.00014	2.2
99.00873	3.2
107.05022	3.7
108.02148	2.0
109.02950	4.5
111.00903	2.7
111.04509	3.2
113.02444	4.3
116.26337	2.0
121.06541	2.0
122.89414	8.5
123.04528	3.6
123.08160	11.5
124.01662	2.7
125.02448	29.8
125.06087	14.7
125.09721	49.2
125.99619	8.5
126.10084	2.7
126.80928	1.8
128.07097	1.6
134.86494	3.8
139.00363	36.2
141.00116	2.4
141.09196	19.5
151.00429	3.8
151.07634	19.6
153.79901	1.6
153.99060	7.3
154.02705	7.4
159.93880	1.9
166.33754	1.8
168.83641	12.1
168.99922	2.8
169.01410	20.8
169.05138	15.7
169.08688	100.0
170.04541	2.4
170.08131	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	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
51.77610	0.6
55.01878	6.8
57.03433	0.7
59.81828	0.6
61.98817	1.0
64.20726	0.5
68.99816	1.8
69.03455	8.0
71.01379	0.8
71.05016	31.6
72.05334	0.9
72.53741	0.6
80.02687	1.2
81.03460	2.8
83.05015	7.1
87.00864	0.9
92.42755	0.6
95.01367	1.0
95.05038	1.6
96.96010	0.6
96.99301	0.9
97.02956	2.6
97.06593	2.8
107.05048	0.8
109.02940	1.0
122.89445	4.0
123.04504	0.9
123.08168	8.3
124.01614	0.6
125.02447	25.2
125.06098	3.2
125.09718	100.0
126.02835	1.1
126.10052	2.9
134.86516	1.6
137.20634	0.6
141.09245	1.5
151.00468	1.1
151.03955	0.8
153.99062	1.8
157.74008	0.7
168.83623	4.9
168.98965	12.4
169.01385	11.3
169.05090	2.3
169.08691	12.9
169.12369	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1234
Annotation	9-Decenoic acid
Peak:m/z	Relative Intensity
51.21456	0.3
55.53358	0.3
57.03443	0.4
57.87774	0.2
59.01353	0.5
59.28325	0.2
67.72805	0.3
68.99808	0.4
69.03447	1.1
70.77387	0.6
71.01376	0.6
71.04999	0.3
74.40820	0.3
77.33494	0.3
79.01910	0.4
80.59653	0.3
81.03454	1.0
81.49881	0.3
83.01340	0.4
83.05007	0.3
87.00871	0.3
95.05040	0.4
97.02935	1.3
107.05031	0.3
109.02976	0.3
122.89407	0.9
125.02446	10.8
125.06062	0.8
125.09733	1.7
125.99590	0.7
134.86542	0.7
151.00478	0.4
153.99112	1.0
168.83633	2.0
168.98969	1.2
169.01425	5.4
169.05058	0.8
169.12335	100.0
169.83455	0.4
170.12685	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	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
69.77772	0.8
69.78172	1.2
86.68861	0.4
87.59084	0.5
90.22438	0.4
90.69855	0.4
98.19884	0.5
99.08142	0.8
101.66525	0.5
125.09709	3.0
127.07642	0.5
127.11282	5.6
127.29529	0.4
153.09192	1.2
171.10263	100.0
172.10605	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	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
57.03471	0.6
58.02976	1.2
59.01375	2.0
60.84474	0.3
67.01882	2.8
69.03488	0.9
70.25459	1.0
71.01380	2.2
72.99300	0.3
73.02932	1.7
81.03494	0.8
82.06631	0.4
83.05014	1.2
85.02966	0.6
85.06604	0.4
85.82394	0.2
85.83005	0.2
93.03460	14.2
98.13658	0.3
99.00893	0.8
99.04523	0.5
99.08170	1.0
99.92612	0.7
101.02447	0.3
109.02992	0.3
111.00896	0.4
111.04536	2.7
111.08161	0.7
111.96040	0.2
112.55482	0.2
112.98824	0.7
113.02465	0.4
115.80317	0.2
128.08012	0.4
128.10812	2.6
129.09212	0.7
130.08737	100.0
131.07146	1.6
131.09082	1.9
137.02428	1.4
142.99832	0.4
144.04492	0.6
145.02878	0.3
155.03479	0.5
171.91055	0.3
172.04042	0.4
172.09753	14.1
172.14200	0.3
172.83070	0.5
173.04547	11.2
173.06064	0.5
173.08112	0.4
173.10048	0.6
173.89301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00302	1.5
55.01881	9.0
57.03450	7.4
58.00586	1.1
58.02987	6.8
59.01382	10.9
60.99306	1.3
65.03951	2.4
67.01885	11.2
68.99812	7.1
69.03446	3.5
71.01379	100.0
71.05008	1.6
72.01709	1.0
72.99313	6.3
73.02945	39.6
75.00861	2.8
80.99829	1.3
81.03455	5.4
82.75613	1.0
83.01378	10.0
83.05024	17.8
84.99310	1.1
85.02947	39.9
86.06107	2.4
87.00879	5.5
93.03454	90.7
94.03771	1.1
96.99310	5.7
97.02947	1.1
99.00880	45.7
99.04518	9.4
100.07676	7.0
101.02451	7.8
101.08031	1.2
109.02944	2.2
111.00877	57.3
111.04514	30.3
111.08163	1.9
112.98808	30.0
112.99686	1.5
112.99940	1.4
113.02495	1.9
115.00368	4.7
119.00220	3.1
124.98808	22.8
127.07663	2.6
128.07178	15.5
128.09196	0.9
129.01932	11.5
129.05597	1.9
129.10335	2.2
131.08272	1.2
132.06676	1.7
135.05075	1.0
137.02449	19.0
140.98264	1.6
142.99855	59.3
143.03510	3.8
145.01393	1.5
154.99919	1.2
155.03499	8.0
172.83057	2.1
173.00912	14.4
173.04550	26.4
173.06070	1.4
173.08157	4.8
173.09409	2.0
174.07693	13.1
192.03308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
52.52283	1.1
53.00298	2.6
55.01882	7.9
57.03454	6.2
58.02967	5.6
59.01376	9.9
61.95237	1.3
65.03967	1.6
67.01888	8.3
68.99815	3.0
69.03463	4.5
70.83118	2.9
71.01382	100.0
71.59018	1.1
72.99306	9.0
73.02946	39.4
75.00864	2.4
76.87829	1.1
81.03468	4.7
83.01382	12.5
83.05029	10.5
84.99320	1.2
85.02949	28.6
85.06629	1.3
87.00859	6.4
93.03459	77.7
96.99310	3.4
99.00884	44.0
99.04527	10.2
100.07688	5.6
101.02435	5.9
109.02956	1.3
111.00884	29.6
111.04527	30.7
112.98809	37.4
115.00365	6.1
124.98808	21.1
127.07623	1.6
128.07155	9.5
129.01953	9.3
129.05539	2.0
131.08244	1.7
133.48221	1.4
137.02443	16.6
142.99861	57.1
143.03458	3.4
144.00226	1.5
155.03522	6.2
172.83112	3.5
173.00906	14.7
173.04570	17.0
173.08150	4.4
174.07713	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	173.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44325	0.4
55.01879	2.8
56.27497	0.3
57.03445	2.0
58.00596	1.7
59.01373	1.9
65.03954	2.1
67.01875	2.0
68.99823	0.6
69.03456	2.5
70.64944	0.3
71.01380	11.0
71.05034	1.2
71.50443	0.6
72.99303	1.3
73.02943	46.7
74.03281	0.3
81.03455	6.8
81.54557	0.3
83.01395	1.1
83.05022	18.4
83.98364	0.4
85.02950	15.4
87.00867	0.5
89.57776	0.3
93.03455	100.0
94.03792	0.9
97.02957	0.5
99.00876	12.0
99.04515	13.4
101.02454	1.4
105.07707	0.3
109.02946	1.5
111.00877	12.0
111.04517	33.5
112.04827	0.8
112.98804	2.1
113.02392	0.7
124.98797	0.9
127.04051	0.4
128.07214	0.5
129.01939	6.2
129.05589	1.1
137.02441	24.6
142.99815	2.1
143.03503	4.5
154.99924	0.4
155.03494	10.2
156.03760	0.3
165.17352	0.4
172.83180	0.5
173.00897	0.9
173.04541	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	173.0455
Annotation	Shikimic acid
Peak:m/z	Relative Intensity
55.01883	3.8
57.03433	3.6
58.00589	1.9
59.01368	2.0
63.98882	0.7
65.03958	1.6
67.01874	1.1
68.99812	1.2
69.03445	2.8
69.44313	3.4
69.44737	2.5
71.01013	1.2
71.01381	16.0
71.05030	0.9
72.99304	1.6
73.02944	49.3
81.03460	6.8
83.01383	1.5
83.05025	19.5
85.02948	11.5
93.03456	100.0
94.03797	2.1
96.99332	0.9
99.00269	1.2
99.00875	13.6
99.04516	12.8
101.02444	1.8
101.06044	1.0
109.02943	2.0
111.00893	4.7
111.04516	34.5
112.98824	6.3
113.02420	1.1
124.98781	2.7
129.01933	5.4
137.02435	25.4
142.99860	8.3
143.03502	2.9
144.00107	0.9
155.03493	8.2
173.00940	1.1
173.04547	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45486	0.6
55.01872	3.1
57.03444	3.3
58.00587	1.9
59.01377	4.7
60.08947	0.6
65.03949	2.2
67.01895	3.8
68.99798	0.7
69.03453	2.8
70.00335	0.6
70.78518	1.5
70.78871	1.0
71.01381	11.4
71.05011	1.1
73.02946	41.6
81.03458	6.0
83.01395	1.4
83.05022	16.8
85.02954	9.2
85.06588	3.5
87.59027	0.6
93.03457	100.0
93.65871	0.6
94.03804	1.1
99.00874	11.4
99.04512	11.3
101.02438	0.8
109.02972	1.5
111.00897	5.7
111.04520	34.0
111.08157	1.0
112.98817	1.3
113.02473	1.2
124.98830	1.5
129.01936	5.6
129.05588	2.4
131.07207	0.7
131.08264	0.8
132.85588	0.7
137.02441	23.1
142.99828	2.6
143.03485	5.0
155.03506	10.4
172.83063	23.0
173.00858	1.6
173.04552	17.4
173.06059	1.2
173.08183	2.6
173.83084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
55.01852	0.4
57.03445	1.0
58.00565	0.4
58.02970	0.5
59.01378	91.6
60.99302	0.9
61.98827	0.7
65.03966	0.6
67.01888	5.7
69.03458	2.2
69.48756	2.4
71.01377	4.2
71.05006	0.7
72.99313	1.1
73.02948	8.3
75.00882	0.5
75.27881	0.4
76.48524	0.4
81.03457	1.3
83.01407	0.6
83.05020	4.5
85.02956	3.0
85.06586	21.6
87.04528	0.4
93.03455	37.9
94.03787	0.8
95.01330	0.4
98.19972	0.8
99.00878	3.7
99.04510	2.2
100.07659	0.4
101.02435	0.8
109.02924	0.7
111.00880	2.2
111.04523	8.8
111.07548	0.4
111.08176	3.3
112.08331	0.4
112.98813	0.7
113.02454	0.9
113.06087	12.3
116.80078	0.3
117.01938	0.4
128.07130	0.9
129.01929	1.4
129.05579	1.2
129.09184	0.5
130.08717	1.1
131.07140	100.0
131.09053	5.3
132.07463	2.1
137.02423	4.4
140.01158	0.6
142.99860	0.8
143.03471	0.9
145.01428	0.5
145.02928	0.8
155.03482	2.0
172.83075	1.0
173.01006	0.5
173.02335	0.9
173.04558	9.0
173.05989	0.6
173.08173	2.9
173.10089	1.4
173.11789	1.0
174.07721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0818
Annotation	Suberic acid
Peak:m/z	Relative Intensity
52.03674	0.3
55.01849	0.4
57.03450	5.1
58.29198	0.3
59.01376	17.3
60.99307	0.7
67.01887	3.7
69.03443	1.4
69.63613	0.3
69.74568	1.9
71.01379	3.0
72.99297	0.5
73.02941	4.3
81.03456	1.3
83.01376	0.5
83.05023	14.5
85.02952	1.5
85.06590	3.4
87.00871	0.4
93.03455	22.7
94.03808	0.8
99.00889	1.5
99.04519	1.3
99.09492	0.4
101.02462	0.6
102.32748	0.4
109.06591	3.4
111.00890	1.1
111.04513	5.7
111.08155	100.0
112.08496	1.9
113.02483	0.5
113.06062	3.8
115.04071	0.5
129.01910	0.9
129.05577	0.4
129.09221	7.4
129.10091	0.3
130.06656	0.5
131.07138	17.1
137.02438	2.0
143.03522	0.3
145.02971	0.8
146.06078	0.5
155.03474	1.1
155.07133	1.2
167.30008	0.3
172.83058	1.7
173.02353	0.8
173.04616	5.4
173.08186	44.1
174.08530	1.0
188.88637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	D-Galacturonolactone
Peak:m/z	Relative Intensity
59.01380	100.0
68.99823	8.5
69.03474	6.5
71.01382	53.4
71.05011	3.2
71.20910	7.1
72.99310	8.1
73.02935	8.0
75.00867	15.7
85.02980	3.1
87.00892	23.8
96.99321	8.1
99.00871	5.6
100.98807	37.0
110.43690	4.1
113.06104	16.3
115.00386	39.6
115.03994	20.1
117.01958	9.9
124.98831	25.7
127.97505	34.4
129.01892	5.2
130.99847	5.5
136.25270	2.8
142.99834	13.1
148.98640	22.0
149.14577	3.3
157.01439	7.6
174.82831	74.7
174.88882	6.3
174.96539	5.5
175.02496	7.2
175.06087	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	175.0611
Annotation	(R)-2-(n-Propyl)-malate
Peak:m/z	Relative Intensity
53.90267	0.5
59.01375	100.0
60.12455	0.7
61.98830	0.8
68.99815	1.4
69.03467	2.0
69.46214	4.3
71.01376	8.8
71.05014	6.6
72.99303	1.7
73.02955	1.1
75.00881	1.5
78.95918	1.1
83.01378	0.7
84.99332	0.6
85.02962	1.9
85.06582	4.9
87.00870	19.8
87.04533	1.6
99.00920	0.7
100.98811	0.9
101.02431	2.9
113.02453	0.8
113.06083	60.2
114.06448	0.8
115.00349	4.3
115.04005	64.7
116.04341	1.4
124.98805	4.1
129.05577	1.1
131.03561	0.9
131.07104	0.7
133.05046	1.6
142.99834	1.3
147.04494	0.6
157.05043	6.6
174.82845	2.5
174.88963	5.5
175.02679	0.8
175.03958	1.2
175.04395	1.1
175.06104	17.7
191.70302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0975
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
50.10965	0.6
56.07536	0.7
59.01378	7.1
68.99816	1.8
69.03449	1.4
69.77776	1.1
69.78194	2.3
71.01391	5.3
71.05030	0.7
72.99302	0.7
75.00861	1.0
83.05016	0.8
85.02949	20.1
85.06585	17.2
86.40355	0.6
87.00872	2.8
87.04523	0.8
96.99307	0.9
98.20626	1.2
101.06083	19.2
103.74292	0.7
113.06088	44.1
115.00375	3.5
115.04020	1.0
115.07642	1.3
121.93533	0.6
122.10562	0.6
124.98788	1.6
129.01958	0.7
129.05582	35.2
129.09224	5.3
131.03503	1.9
131.07144	26.6
132.07570	0.6
132.98238	0.6
147.04556	0.9
157.01396	1.1
157.08757	0.7
164.00464	0.5
174.03220	2.2
174.82840	0.9
174.89001	5.8
175.03957	4.8
175.09749	100.0
176.01123	0.9
176.10097	2.2
192.05296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	2.9
63.41682	0.3
70.09045	1.2
71.01384	0.8
79.95743	0.9
87.00877	1.4
94.14968	0.3
96.96009	85.0
99.00890	0.5
101.54144	0.3
115.66517	0.3
118.99295	0.6
119.93759	1.0
134.96086	54.4
135.96158	2.7
136.94005	100.0
137.94070	4.0
151.92717	15.1
152.92880	0.8
161.04533	0.9
174.80347	0.3
178.95055	75.6
179.05612	1.0
179.95158	3.7
180.34947	0.3
196.96036	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.6
71.01373	2.2
71.17675	0.4
76.37481	0.2
84.06250	0.2
85.02947	0.3
87.00867	1.3
89.02451	1.2
91.05561	0.4
96.88945	0.2
99.00895	0.5
101.02425	0.3
102.73483	0.2
106.04231	0.3
107.05032	1.7
108.02171	0.2
113.02461	0.3
117.03482	0.4
134.03737	4.6
135.04518	100.0
136.04825	2.4
144.24889	0.2
147.96405	0.2
161.04590	1.0
164.70126	0.2
170.69821	0.2
179.03487	21.5
179.05496	1.0
180.03862	0.5
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	L-Fructose
Peak:m/z	Relative Intensity
58.00594	4.2
59.01379	100.0
69.41730	6.6
71.01381	79.5
71.05045	1.7
72.99015	0.9
72.99316	10.2
73.02937	4.3
75.00873	48.4
76.08487	1.0
81.03461	4.5
83.01377	3.5
85.02946	6.1
87.00889	11.2
89.02446	46.7
90.90954	1.1
95.01403	2.2
98.20645	1.7
99.00859	5.8
101.02443	11.1
113.02472	7.8
117.01917	1.2
119.03516	1.5
125.02523	1.1
143.03488	9.0
152.52356	1.0
161.04567	5.6
179.05606	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0507
Annotation	cis-3-(3-Carboxyethenyl)-3,5-cyclohexadiene-1,2-diol
Peak:m/z	Relative Intensity
59.01381	5.6
61.98833	8.2
64.21997	1.0
65.00320	2.4
67.01889	1.3
70.35996	2.2
70.36351	2.4
71.01365	3.9
72.99301	17.0
81.03458	1.2
83.01383	2.7
85.02954	1.1
85.49976	1.2
89.02451	2.4
93.03452	22.4
95.01395	1.2
96.96005	5.5
97.02951	1.5
98.19968	1.2
101.02422	2.5
106.04205	1.4
107.05005	3.9
109.02966	6.0
111.00864	1.4
113.02409	1.2
119.05020	31.6
121.02953	21.9
122.03730	35.4
123.00917	2.1
123.04537	18.3
123.89320	1.0
124.01648	4.2
134.03699	5.5
135.04523	50.7
136.04808	1.5
136.98866	1.6
137.02429	10.2
137.06079	3.2
138.03233	2.2
138.07446	1.1
139.04005	30.5
149.02467	7.4
150.06668	1.1
151.00352	12.5
153.01913	10.4
153.05630	1.8
154.02689	7.9
163.04004	58.9
166.02698	19.8
181.01677	6.1
181.05051	100.0
181.08527	2.4
182.05388	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	182.0457
Annotation	4-Pyridoxic acid
Peak:m/z	Relative Intensity
52.06419	0.2
59.01375	0.5
61.98825	4.7
65.61058	0.2
66.06593	0.2
69.03451	0.3
71.50152	0.3
72.17317	0.2
72.99319	0.4
88.97082	0.2
92.05055	3.7
94.02960	1.2
95.01394	0.3
95.05009	0.2
96.04565	0.4
108.04552	48.8
109.04894	0.7
110.06104	0.6
110.92598	0.5
111.04491	0.3
120.04548	5.2
120.05359	0.3
122.02507	1.3
122.03246	0.2
123.00907	0.3
123.03265	0.9
136.04024	1.9
136.04874	0.3
137.02452	0.3
138.05605	100.0
139.02649	0.4
139.04018	0.3
139.05934	1.8
146.93381	0.5
152.03503	1.2
154.15094	0.2
164.04335	0.6
166.99812	0.3
167.03070	0.6
173.60928	0.2
179.87364	0.2
181.95274	0.3
182.04561	29.6
182.66434	0.2
182.93001	0.6
183.03008	0.3
183.04793	0.5
183.10275	0.2
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	(3S)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
57.03448	100.0
58.03777	1.1
59.01382	4.1
65.03963	2.0
67.01892	2.8
68.99551	6.8
69.03460	7.0
69.51083	1.9
69.51505	3.7
71.01353	1.3
73.43152	0.8
81.03457	1.9
83.01388	1.9
83.05037	1.2
85.02937	1.0
92.31305	0.8
93.03458	1.4
94.97533	1.3
95.01382	3.6
95.04999	1.4
97.02929	1.7
101.02444	1.1
109.02947	1.9
111.00906	5.3
111.04498	1.8
111.08136	2.5
112.98576	11.7
121.06599	2.7
123.00864	1.9
123.08160	8.7
124.01662	1.4
124.98788	1.4
137.02426	1.4
139.00381	3.3
139.03990	2.0
139.07663	1.7
139.11287	43.8
152.98291	1.8
153.00639	1.4
164.98357	1.4
165.01961	4.1
165.09193	2.5
168.00629	3.8
182.99089	1.8
182.99496	1.3
183.00580	7.0
183.02954	9.0
183.06615	2.6
183.08684	1.4
183.10245	17.4
183.13869	2.8
184.06190	1.6
193.80406	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0614
Annotation	2'-hydroxypyridoxol
Peak:m/z	Relative Intensity
59.01377	56.1
69.03452	1.1
70.02979	1.6
71.01373	11.6
71.42194	0.9
71.42535	1.2
84.04544	8.8
84.50723	0.7
85.59931	0.8
90.87188	1.0
94.02984	3.7
95.05018	2.4
97.01688	6.1
98.06097	1.6
110.02474	2.3
112.04044	100.0
113.02435	2.1
113.04377	1.8
113.06100	1.1
122.02268	0.8
122.06128	9.3
124.04039	72.3
125.02356	1.1
125.04379	1.8
140.07176	37.0
141.05560	1.3
141.07486	1.1
166.02260	2.0
166.05075	5.0
184.06142	84.4
185.06540	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	185.1183
Annotation	10-hydroxy-2E-decenoic acid
Peak:m/z	Relative Intensity
57.03451	1.4
57.77273	0.6
59.01372	2.7
65.77516	0.6
68.99809	1.5
69.03465	1.8
70.21810	0.6
70.60435	0.5
71.01374	1.6
71.05007	1.2
71.51626	0.9
78.95899	0.6
83.05025	1.5
85.02923	0.9
85.06590	1.7
85.30235	0.7
87.00307	0.6
95.01353	0.7
97.02974	1.2
97.06582	2.7
99.00910	0.7
102.64097	0.7
111.04517	0.8
112.98837	3.9
123.04485	1.0
123.08132	2.4
125.09824	0.8
127.11316	0.7
131.90729	0.7
137.09769	0.9
139.11293	27.6
139.55171	0.8
141.01845	0.7
141.05571	0.9
141.09215	6.9
141.12825	1.0
155.10754	1.8
166.99817	1.2
167.10748	2.2
185.00873	0.7
185.02390	1.2
185.04613	1.1
185.06227	3.3
185.08417	3.7
185.11824	100.0
185.15381	2.1
186.12225	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	187.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01551	0.5
58.82913	0.5
59.01378	70.6
61.98829	7.2
65.95493	0.5
71.01353	0.6
71.20105	0.9
74.85293	0.6
77.35368	0.5
82.18634	0.6
85.02923	0.6
97.06567	1.5
101.00928	0.6
102.98905	0.7
113.06058	1.1
115.02535	4.8
115.05553	1.0
117.00446	6.7
125.06084	0.9
125.09722	9.7
128.33954	0.5
141.86798	7.8
142.89383	1.9
143.01981	2.7
143.07170	1.1
144.99883	1.6
159.01488	100.0
159.87840	2.2
160.01646	3.2
168.88889	1.3
168.99864	0.8
184.99326	0.7
186.92375	0.9
187.00969	15.4
187.04005	1.9
187.06068	2.0
187.07701	0.7
187.07959	0.8
187.09732	5.9
187.13354	1.2
188.00520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0975
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
50.34992	0.2
50.69757	0.2
52.90709	0.2
55.65607	0.2
57.03448	3.4
59.01371	1.0
61.98822	0.9
62.97110	0.2
67.78734	0.2
69.03449	0.7
70.52745	0.6
70.53105	0.3
71.05041	0.5
81.03480	0.2
83.05025	0.6
95.05048	0.6
97.06583	12.2
98.06908	0.2
113.06114	0.4
123.08165	5.2
125.02428	0.2
125.09720	100.0
126.10043	2.6
141.86801	3.0
143.10780	2.0
159.87881	0.4
168.88898	0.6
169.08696	2.4
187.09756	48.3
188.10081	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1338
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
50.95404	0.3
55.01883	0.6
57.03447	0.5
59.01386	1.9
61.98833	2.4
63.56609	0.3
68.99826	0.6
69.58727	2.1
71.01379	1.2
72.99304	0.5
83.05029	0.6
84.02150	0.3
90.97157	0.4
96.99329	0.3
97.06587	1.1
107.04984	0.4
113.06097	1.0
113.09723	0.8
123.08167	1.0
125.06129	0.6
125.09718	11.5
139.11269	3.4
141.12851	100.0
141.86835	5.2
142.13188	2.5
143.05019	0.4
143.07144	0.7
143.10793	0.4
159.04495	0.5
159.87843	1.5
168.88936	0.6
168.97900	0.4
169.08702	0.4
169.12325	2.6
185.11829	1.1
186.95770	0.4
187.02492	0.4
187.03998	1.1
187.06075	1.4
187.07697	1.0
187.09769	7.2
187.13380	95.2
188.13724	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	188.0353
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
52.09082	0.2
55.51687	0.2
59.01380	0.2
59.09674	0.2
65.99847	0.2
70.67829	0.2
70.68165	0.4
75.55268	0.2
100.54194	0.2
102.03488	0.6
105.49892	0.2
116.05091	0.2
127.07673	0.4
129.05576	0.4
138.80403	0.2
141.86835	0.2
144.04552	100.0
145.04895	2.8
159.03235	1.3
188.03545	4.5
189.07719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0928
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
56.53163	0.7
57.03425	0.8
58.02974	15.3
59.01379	23.2
59.83366	0.7
61.98828	9.0
66.03428	0.8
68.05053	3.3
69.03461	1.0
71.01384	2.0
71.05009	0.9
71.50695	1.1
72.99277	1.4
74.02467	1.7
75.68502	0.8
78.95920	1.3
83.05016	2.5
85.06593	1.9
87.00911	1.7
87.26913	0.9
87.92529	46.5
89.92939	0.8
97.02915	0.7
98.06104	1.0
99.04494	0.9
99.08147	2.9
100.07681	16.7
100.89551	6.7
101.06094	2.9
102.05605	2.8
103.92030	17.3
104.92786	2.3
105.93584	7.5
109.02940	1.0
109.06631	1.1
111.00927	0.7
111.04545	1.4
114.05659	1.0
114.09245	42.7
114.34480	0.7
115.03970	0.8
115.09602	1.3
115.87075	0.7
116.07160	2.0
117.03460	1.0
119.91501	1.5
123.94643	14.6
126.05569	0.9
126.06432	0.9
126.10065	1.4
127.04000	3.0
127.07650	11.8
128.03525	2.7
128.07137	1.0
129.05586	12.3
140.21579	0.7
141.86818	38.3
142.08734	78.0
143.07161	1.4
143.09045	1.0
143.25215	0.8
144.04553	34.1
144.06660	2.7
145.04924	1.4
145.08687	1.7
146.08250	5.9
147.06642	5.0
159.87866	11.6
161.02394	0.9
170.04593	1.2
170.08182	1.7
170.88954	1.2
171.02982	2.9
171.06636	2.7
177.91975	1.0
186.07797	1.4
187.86061	2.4
188.03523	2.7
188.09271	100.0
188.87538	2.0
188.89915	0.8
189.04045	1.6
189.05846	1.5
189.07675	10.9
189.09543	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	189.0768
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03444	2.6
58.20726	0.4
59.01381	3.7
61.98792	0.6
69.46118	2.9
69.93409	0.4
72.99308	0.6
80.13512	0.5
83.05017	0.9
85.02977	0.6
85.06598	2.6
98.20686	0.9
99.00852	0.7
99.08157	25.5
101.06110	1.1
113.06074	0.7
113.06859	0.5
115.04002	3.6
117.03452	0.5
119.08665	0.5
119.56365	0.5
120.15894	0.5
127.00403	0.5
127.07649	28.3
129.05580	100.0
130.05939	1.3
143.07062	0.5
143.86528	2.6
145.08730	4.4
146.02560	0.5
147.67947	0.5
161.02408	1.2
161.07201	1.7
161.87642	0.5
170.88930	1.2
171.03052	0.5
171.06610	6.4
171.11748	1.1
174.03261	0.5
189.01935	1.6
189.07697	49.8
189.11307	2.0
189.12671	3.0
190.07993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18484	0.3
57.03447	6.5
59.01377	2.1
67.01885	4.0
69.44455	1.5
69.44855	0.5
71.01384	1.1
73.02939	0.4
76.64034	0.3
83.05021	0.6
85.02949	37.6
86.03302	0.6
87.00875	51.0
88.01217	0.5
93.03456	2.9
99.00900	0.4
99.04505	0.4
101.02448	0.8
103.04002	0.5
109.02946	0.6
111.00880	100.0
111.04504	1.1
112.01225	1.6
113.02542	0.3
127.04034	2.0
129.01947	5.6
130.99881	1.0
147.03008	0.6
154.99840	0.7
169.41309	0.2
171.03075	0.5
173.00938	2.4
173.04622	0.8
174.85143	0.3
191.01984	12.7
191.05608	43.4
192.02408	0.3
192.06007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.3
59.01387	2.5
67.01882	4.2
71.01380	1.7
71.06312	0.6
71.06631	0.7
73.02944	0.5
73.12898	0.5
81.03428	0.5
85.02408	0.5
85.02946	39.5
87.00869	50.6
88.01211	0.7
93.03452	3.4
107.86584	0.5
109.02977	0.8
111.00875	100.0
111.04504	1.9
112.01218	1.3
127.04033	2.7
129.01930	5.6
130.99863	0.8
147.02985	0.5
153.68335	0.5
154.99855	0.7
171.02994	0.5
173.00877	1.4
173.04509	1.4
175.54900	0.4
191.01985	13.5
191.05594	58.9
192.06021	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0349
Annotation	Pisonin F
Peak:m/z	Relative Intensity
56.20541	0.2
57.03430	0.3
59.01376	6.2
67.43647	0.2
69.91656	1.0
71.01379	0.3
73.02942	0.3
85.02948	2.8
87.00865	2.2
93.03461	0.7
111.00878	3.8
111.04514	0.2
118.99311	0.4
119.05015	0.9
121.02953	100.0
122.03283	2.3
127.03991	0.3
129.01938	0.3
131.03516	0.5
147.04514	5.8
163.04031	0.7
173.04466	0.2
176.01143	0.7
186.68362	0.3
191.01965	0.7
191.03510	9.5
191.05611	8.6
192.03824	0.5
209.05443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.5
58.18578	0.2
59.01377	3.0
60.99304	0.2
67.01871	0.9
68.53195	0.2
69.03426	0.6
70.50684	0.5
70.51020	0.3
71.01386	2.0
73.02937	0.7
81.03449	0.9
83.01392	0.3
83.05032	1.1
85.02947	21.2
86.03322	0.3
87.00870	4.4
90.78355	0.2
93.03456	6.7
95.01412	0.3
99.04506	0.8
109.02962	1.8
111.04533	2.1
113.02415	0.4
127.03152	0.4
127.04008	4.2
137.02480	0.4
147.26196	0.2
149.37822	0.2
155.03450	0.3
161.24338	0.2
171.03023	1.2
173.04530	1.9
191.05600	100.0
192.05933	2.1
207.51094	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
53.95635	0.2
57.03440	1.0
59.01368	3.0
65.63886	0.3
67.00762	0.3
67.01883	1.6
69.03445	0.5
69.61552	1.3
71.01383	2.1
73.02930	0.9
81.03453	0.7
83.05024	0.7
85.02948	21.9
86.21577	0.2
87.00872	7.5
90.89541	0.2
93.03453	6.0
97.03025	0.3
99.04502	1.0
109.02940	1.7
111.00875	8.4
111.04512	1.7
119.11153	0.3
127.04012	3.6
129.01945	1.0
153.11499	0.3
155.03488	0.4
165.37318	0.3
171.03024	0.7
173.04523	1.4
191.05598	100.0
192.05960	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.5
59.01376	3.2
66.66624	0.2
66.82969	0.2
67.01883	1.3
69.03461	0.6
70.65864	0.6
71.01386	2.2
71.18326	0.2
72.99295	0.3
73.02938	1.0
74.65241	0.2
76.43601	0.2
81.03484	1.0
83.05045	0.9
85.02950	25.4
86.03281	0.2
87.00874	11.2
93.03460	7.0
93.21236	0.2
98.19955	0.2
99.00864	0.3
99.04504	1.0
101.02432	0.5
102.98138	0.2
109.02945	1.5
111.00881	14.9
111.04509	2.0
125.02436	0.3
127.04005	4.3
127.06382	0.2
129.01945	0.9
155.03490	0.3
171.03003	1.4
173.04543	2.0
191.02119	2.3
191.05605	100.0
192.05907	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	191.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86312	0.2
51.00702	0.2
52.66357	0.3
54.34518	0.2
57.03437	1.2
58.58221	0.3
59.01375	3.3
59.70524	0.3
64.64416	0.3
67.01872	1.2
69.03460	0.6
71.01370	1.9
71.48940	0.6
73.02937	0.9
76.84710	0.2
81.03458	0.6
81.66726	0.3
83.05023	0.8
85.02949	20.2
87.00876	7.8
90.55447	0.2
93.02882	0.4
93.03455	5.2
95.01369	0.3
99.00862	0.4
99.04514	1.1
109.02972	1.6
111.00879	9.9
111.04523	2.5
119.23498	0.3
127.04018	3.6
127.61186	0.3
129.01949	0.5
137.02426	0.4
171.02979	1.2
173.00896	0.3
173.04546	1.7
191.05602	100.0
192.05943	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	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
51.55103	0.4
55.01876	0.8
56.26056	0.5
56.84163	0.5
57.03485	0.4
59.01384	4.3
64.29659	0.5
69.03458	1.6
69.60462	2.3
69.60880	0.7
71.01382	5.5
72.99306	0.9
73.02945	4.8
75.00899	0.5
83.01392	2.1
85.02950	6.2
86.00081	1.5
87.00873	4.1
93.03454	1.6
95.01387	1.2
97.02948	2.6
99.00883	4.9
101.02443	7.4
106.04237	1.7
109.02930	0.7
111.00893	1.1
113.02452	1.3
117.03461	1.1
119.47576	0.5
121.02940	3.1
123.00860	0.6
125.02443	2.3
133.02966	6.4
134.03738	100.0
135.04117	1.9
137.02440	18.6
138.02737	0.6
139.04002	5.2
140.01216	0.5
141.01950	2.0
149.02444	1.1
149.06071	21.6
150.03188	2.6
150.06383	0.6
150.63451	0.6
155.03510	1.4
161.04553	10.1
165.01917	1.1
168.19806	0.5
178.02704	65.2
179.03098	1.2
181.11131	0.6
193.05055	33.9
193.07120	6.3
193.08705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Erbstatin Analog
Peak:m/z	Relative Intensity
54.11119	0.3
55.79594	0.3
59.01360	0.4
69.13836	2.8
71.01363	0.4
84.73667	0.2
85.02936	0.6
90.29925	0.3
93.03487	0.5
93.04144	0.3
97.02893	0.2
98.90050	0.3
99.00866	0.4
101.02437	0.9
106.04240	0.4
109.02970	0.5
111.00848	0.3
112.97253	0.2
121.02949	2.1
133.01926	0.6
133.02954	14.7
134.03743	16.5
136.01607	0.3
137.02443	12.3
139.04005	3.3
149.06068	0.6
150.03233	1.5
161.02432	26.0
161.04576	1.0
162.02740	0.5
163.03995	0.4
165.01981	0.4
173.62674	0.3
178.02708	4.4
193.05043	100.0
194.05338	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	195.0662
Annotation	1135-23-5
Peak:m/z	Relative Intensity
57.03471	0.8
59.01378	13.3
61.98845	1.7
66.03474	1.1
71.52029	0.8
83.01350	0.9
93.03413	1.3
94.85615	0.8
96.95976	1.0
104.02711	1.5
107.05000	2.9
108.02189	1.8
108.04546	1.1
109.06580	0.9
111.00887	1.7
119.05030	10.8
121.02956	29.2
123.00890	1.4
123.04483	6.3
124.01663	3.8
125.02421	1.9
127.07644	1.0
134.03740	1.4
135.04527	21.3
136.05299	100.0
137.02448	3.4
137.05664	3.2
139.00357	1.2
150.03238	4.5
151.00337	1.1
151.04028	8.5
151.07643	4.7
151.11270	0.9
152.01140	1.4
152.07196	1.0
152.71602	0.9
160.84221	5.6
162.03255	1.3
165.01933	6.8
165.05591	1.9
167.03334	1.1
177.05562	1.9
180.00580	0.7
180.04285	6.0
195.02995	18.9
195.06613	85.4
195.10194	3.8
195.81046	1.5
196.06969	1.7
208.99184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1389
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
50.39437	0.2
59.01369	0.6
61.98829	0.9
68.04073	0.2
69.69152	1.3
109.06586	3.2
111.08156	3.3
117.59005	0.2
122.03714	0.3
125.09740	0.7
135.11821	0.4
138.06847	0.6
139.07634	0.3
150.03241	0.4
151.03926	0.2
151.11275	0.4
160.84224	2.3
163.02498	0.2
163.05035	0.2
167.13025	0.4
167.14401	5.5
172.53821	0.2
179.10774	4.2
180.04282	0.4
180.11440	0.4
183.13890	0.3
194.91817	0.2
195.13889	100.0
195.81134	1.0
196.14241	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	196.025
Annotation	3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
Peak:m/z	Relative Intensity
59.01382	2.1
59.18559	0.3
59.81916	0.3
61.98827	35.5
66.03473	0.8
71.01332	0.5
71.19102	0.7
72.99317	0.8
75.00853	0.8
76.01186	0.6
77.05299	0.4
78.95884	0.4
80.05023	0.6
82.84233	0.3
87.00890	0.5
88.01243	0.3
95.01394	0.5
100.01436	0.3
103.92005	0.5
106.02973	0.4
107.03745	0.7
108.04554	100.0
109.04859	1.4
109.06586	0.4
110.02489	0.4
110.46087	0.3
115.00385	0.4
118.02997	1.2
122.06058	0.4
123.00898	2.0
124.01707	0.5
124.04047	0.5
126.90519	2.9
130.02299	0.4
134.02376	0.5
134.86545	1.5
135.04485	0.5
139.04070	0.4
142.99872	0.4
145.99049	0.3
146.02405	0.5
152.03529	43.9
152.07114	1.0
153.01833	0.5
153.03897	0.8
153.05528	0.3
158.84654	1.4
160.62000	0.4
160.84204	72.7
161.84297	0.7
164.03560	0.9
166.99883	0.8
179.03503	0.6
182.02211	2.1
195.81081	30.6
195.85474	2.0
196.02498	11.5
196.05743	1.2
197.04520	1.0
197.11853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10889	0.3
52.41287	0.2
55.31334	0.3
59.01380	0.4
61.98829	6.9
69.03456	0.5
69.62283	1.5
72.99281	0.3
78.95901	0.6
81.03455	0.7
83.01437	0.5
84.66216	0.3
91.01888	0.3
93.03455	0.9
94.98759	0.3
95.01382	1.2
96.96027	1.0
98.20683	0.5
105.85198	0.3
106.85799	0.3
108.02149	1.5
109.02960	5.0
111.00903	0.5
116.92862	1.7
119.01389	0.5
121.02952	1.1
123.00877	3.6
124.01665	0.9
125.02409	0.3
126.90489	1.8
134.86638	0.4
135.04512	0.3
136.01660	2.2
137.02441	36.9
138.02893	0.9
139.03976	0.4
139.42790	0.3
153.01956	0.5
153.05522	0.8
153.09200	0.4
160.84201	1.9
162.83917	5.6
165.01923	100.0
166.02269	2.9
166.99843	1.9
182.02184	4.7
196.89481	0.5
196.98444	0.3
197.04509	3.2
197.08176	0.9
197.11818	3.1
197.80760	3.6
197.85158	0.7
197.90265	0.3
198.07613	0.3
205.25005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06757	0.2
59.32137	0.3
61.98829	3.3
69.39229	1.9
72.99325	0.4
81.03465	0.9
83.18504	0.3
84.11361	0.3
93.03471	0.9
95.01414	0.7
96.96008	0.4
97.02969	0.3
98.20681	0.5
108.02135	1.7
109.02952	5.1
111.00873	0.7
114.82597	0.3
116.92863	0.7
121.02950	0.7
123.00877	2.2
123.04501	0.4
124.01654	0.8
126.90499	1.0
134.86430	0.4
136.01642	1.6
137.02440	38.8
138.02887	1.0
153.01871	0.4
160.84209	1.4
162.83919	3.8
165.01920	100.0
166.02235	2.2
166.99820	1.0
178.99832	0.4
179.03406	0.3
182.02185	2.4
197.00835	0.3
197.04553	2.3
197.06157	0.4
197.08078	0.4
197.11765	2.0
197.80762	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	197.0607
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
55.59653	1.5
59.01371	2.7
59.14123	1.6
61.98825	18.7
69.03460	2.4
69.77982	4.5
69.78397	3.0
78.95904	2.1
80.96548	1.4
93.03471	1.6
95.01374	6.6
96.96004	3.7
97.06622	2.3
109.02938	4.8
110.70861	1.6
116.92871	13.3
121.02964	8.0
123.00881	29.2
123.04515	2.6
125.02462	3.7
126.90505	16.2
137.02444	2.0
138.03218	7.1
153.01933	3.4
153.05537	7.2
153.09164	2.8
153.12856	10.3
160.84184	10.5
162.83899	28.8
166.99855	22.2
169.06552	2.9
169.12334	2.3
178.99815	3.6
179.10762	2.6
182.00613	2.9
182.02211	49.7
196.81094	1.4
196.89536	2.0
196.91081	3.0
196.98445	2.1
197.00790	3.5
197.04512	13.5
197.06084	100.0
197.11815	48.5
197.13585	3.3
197.80774	17.8
198.06361	3.5
198.12228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87017	0.4
59.01368	0.4
60.92487	0.4
61.98814	1.7
69.03446	1.4
69.52339	3.2
72.99317	0.6
79.23225	0.4
83.05012	1.1
83.69834	0.4
93.03446	0.4
95.01402	0.8
95.73034	0.4
96.24352	0.4
103.97659	1.2
109.02981	0.7
112.01669	0.7
112.98618	0.5
116.92817	0.8
117.36088	0.4
121.02940	2.1
123.00884	2.9
126.90498	1.6
135.04573	0.6
138.03342	0.4
141.09242	0.7
151.11292	0.6
153.01918	0.4
153.05589	0.8
153.09247	0.8
153.12859	3.2
156.44691	0.4
160.84274	2.4
162.83905	5.7
165.81406	0.5
166.99828	1.7
169.12331	14.7
179.10741	1.5
182.02197	4.6
197.04573	1.8
197.11818	100.0
197.80809	4.5
198.12160	3.2
209.77669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
51.05203	0.3
55.01880	0.5
57.03436	0.4
59.01355	0.5
61.98827	2.9
62.64874	0.3
65.00332	0.4
69.03474	1.0
70.47165	0.3
70.92494	0.3
71.05038	1.0
81.03472	0.4
83.01419	0.3
83.05045	0.6
87.00875	0.3
91.60881	0.3
94.86954	0.3
95.01410	1.1
96.95980	0.4
97.06586	12.7
98.19843	0.8
99.08150	3.1
107.05044	0.3
109.02979	0.9
109.06607	0.9
111.08134	0.3
112.01646	0.3
114.76076	0.3
116.92833	1.7
121.02977	1.9
122.03757	2.1
123.00883	5.3
123.04550	0.6
125.02449	0.7
125.09715	1.0
126.03218	1.0
126.90511	3.1
134.13910	0.3
134.86530	0.4
137.02487	0.8
137.09741	1.7
138.03223	0.9
151.11307	0.9
153.02022	0.4
153.05638	1.8
153.12848	100.0
154.13202	3.4
160.84193	2.9
162.83917	8.3
166.99840	4.1
169.12335	1.3
178.99857	0.7
179.10770	21.3
180.01691	0.5
180.11165	0.9
182.02203	10.0
197.02110	1.4
197.04515	3.5
197.06059	0.5
197.08156	0.9
197.11816	16.4
197.80818	4.0
210.34923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
57.03441	0.1
58.14116	0.1
59.01395	0.6
61.98824	1.4
69.03453	1.5
70.87833	0.1
71.01351	0.2
71.51333	0.1
71.51795	0.1
78.95920	0.2
81.03458	0.3
83.05012	0.7
83.78108	0.1
85.06565	0.2
95.01373	0.5
96.95996	0.3
97.02968	0.2
97.06592	0.5
99.08170	0.2
99.77388	0.1
103.97659	0.4
109.02935	0.4
111.00871	0.2
112.01640	0.1
112.98581	0.2
116.92870	0.9
121.02985	0.6
123.00896	2.1
123.04508	0.2
123.08170	0.4
125.02464	0.2
125.09725	0.3
126.90501	1.1
135.08179	0.2
135.11786	0.2
135.68289	0.1
137.09714	0.2
138.03218	0.5
141.09213	1.1
151.11293	0.7
153.01991	0.3
153.05519	0.5
153.09218	1.3
153.12836	3.7
154.01462	0.1
160.84209	1.8
162.83904	4.6
166.99832	1.4
167.10748	0.3
169.12329	15.4
170.12685	0.5
170.14951	0.1
178.99774	0.3
179.10773	1.5
182.02190	3.8
196.89549	0.2
196.91154	0.2
197.04576	1.1
197.11816	100.0
197.80765	2.8
198.07616	0.1
198.12143	3.4
216.57327	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1183
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
56.74693	0.3
58.04891	0.3
58.70609	0.3
59.01382	1.6
61.98824	0.8
65.00320	0.5
69.03463	1.6
71.01387	0.5
71.05006	0.6
71.51941	0.5
72.99309	2.6
83.05022	1.0
95.01385	1.0
97.06567	0.5
97.31288	0.3
99.00895	0.5
109.02940	0.7
109.06605	0.4
116.92869	0.6
121.02972	1.4
123.00885	4.3
123.04510	2.2
123.08118	0.4
125.09678	0.6
125.72967	0.3
126.90533	1.9
130.47174	0.3
133.87527	0.3
135.04538	2.2
135.08189	0.4
137.02400	0.4
138.03232	1.5
141.09203	0.6
151.04013	0.4
151.11327	0.6
153.02000	0.5
153.05573	2.2
153.09219	3.0
153.12830	3.9
160.00217	0.3
160.84215	0.9
162.83904	3.4
166.99829	2.8
167.10744	0.3
168.58597	0.3
169.12341	15.1
170.12659	0.7
178.99861	0.4
179.03520	2.0
179.10793	1.9
182.02200	7.7
197.04593	3.2
197.11823	100.0
197.80786	1.3
198.12180	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40294	0.4
54.51965	0.4
57.20299	0.4
59.01380	1.1
61.98832	3.3
65.04427	0.4
69.03455	1.3
69.18345	2.1
69.18772	1.9
69.36249	0.4
71.01390	0.4
72.99303	0.9
73.89169	0.4
81.03480	0.4
82.50511	0.5
83.05028	1.0
95.01376	2.2
103.97655	1.3
109.02950	0.9
110.62543	0.4
112.01662	10.1
112.98585	0.8
113.58428	0.4
116.92851	1.7
121.02982	2.0
123.00881	7.2
123.04541	0.8
123.08208	0.6
125.02483	0.7
125.09675	0.5
126.90495	3.2
130.99237	0.6
135.00754	0.4
135.04486	0.9
137.02458	0.8
138.03224	1.8
141.09175	1.0
151.11282	0.6
153.01872	0.9
153.05600	2.0
153.09215	2.0
153.12851	3.6
160.84207	3.7
162.83899	9.7
166.99870	5.1
169.12329	14.8
170.12703	0.6
178.99814	0.6
179.03458	0.6
179.10765	2.1
182.02191	12.4
183.55971	0.4
196.91106	1.0
196.98444	0.6
197.00809	0.6
197.04550	4.7
197.08199	8.1
197.11823	100.0
197.80783	5.3
198.08221	0.6
198.12115	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	197.1182
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
54.09339	0.3
59.01375	0.6
60.46007	0.3
63.48497	0.3
69.03478	1.5
69.62007	1.7
72.99294	0.3
83.05025	0.9
93.65012	0.3
97.06574	0.3
98.10654	0.3
102.99191	0.3
108.08594	0.3
123.00838	0.7
123.04557	0.4
123.08114	0.3
125.09751	0.3
126.90449	0.4
141.09192	0.7
151.11310	0.9
153.09258	1.4
153.12837	3.2
159.80885	0.2
162.83932	1.4
166.99861	0.8
169.12325	16.2
169.70473	0.3
171.16798	0.3
179.03444	0.3
179.10744	1.6
182.02217	1.3
197.11813	100.0
197.80710	0.5
198.12157	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43579	0.3
57.03448	1.0
58.00590	2.0
59.01386	1.3
67.01889	0.8
69.03452	1.4
69.76999	0.3
71.01385	1.6
71.05023	0.4
71.28062	0.5
72.99304	0.6
73.02945	5.7
74.99763	0.3
78.81707	0.3
81.03477	0.5
83.01396	0.8
83.05029	0.9
84.02173	1.2
85.02950	0.5
92.99812	0.4
95.05030	0.6
95.71291	0.3
97.06597	1.1
99.00858	0.3
99.04501	0.4
103.36526	0.3
109.06584	0.5
111.00882	0.8
113.02445	1.5
123.04559	0.3
123.08193	0.7
125.06083	2.2
125.09716	3.9
127.00398	0.4
127.04015	0.7
127.11274	2.5
128.10883	0.3
135.04501	0.3
135.08151	0.8
136.98767	0.4
137.09717	10.3
138.10023	0.3
139.04025	0.3
141.09221	1.0
143.10808	1.0
151.07635	1.2
153.09175	1.9
155.10776	100.0
156.10231	1.3
156.11136	1.9
156.89546	0.4
163.07562	0.5
171.10265	13.8
181.03947	0.4
181.08696	2.9
198.98880	0.3
199.09746	40.1
199.13361	2.4
199.17047	1.1
200.10089	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03436	0.7
58.00583	1.9
59.01376	1.9
61.98820	0.7
63.23813	0.3
67.01897	0.5
69.03459	1.4
69.33846	0.6
69.34258	1.9
71.01376	1.1
71.05003	0.8
72.99306	0.4
73.02938	5.0
83.01380	0.6
83.05032	1.3
84.02178	0.6
85.02934	0.4
92.99799	0.5
95.05006	0.5
97.06583	0.6
98.20683	0.6
109.06555	0.6
111.00856	0.6
111.08156	0.5
113.02428	0.9
119.08600	0.3
123.08147	0.5
125.05258	0.4
125.06071	2.1
125.09708	2.8
127.04003	0.4
127.11273	1.9
135.08167	0.9
137.06096	0.4
137.09717	9.3
141.09190	0.3
143.10770	0.8
151.07639	0.7
153.09178	1.3
155.10773	100.0
156.10153	1.0
156.11105	2.1
171.10255	9.7
171.38110	0.3
172.10477	0.4
179.40965	0.3
181.01410	0.5
181.08675	2.6
194.42622	0.3
198.98814	0.3
199.09744	32.5
199.13379	2.0
199.17017	1.0
200.10129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
57.03440	2.1
58.00584	8.3
58.86388	0.8
59.01383	4.2
60.99304	0.9
61.98819	1.6
67.01878	1.5
69.03456	4.0
70.26674	3.7
71.01383	5.9
71.04996	2.7
73.02946	21.2
83.01374	1.9
83.05027	3.1
84.02168	3.0
85.02939	1.8
92.99813	1.1
95.05024	1.3
97.06590	3.5
99.00874	1.2
99.04495	1.0
100.12256	0.9
101.06080	1.2
109.06589	1.3
111.00862	1.8
111.08134	1.1
113.02438	3.9
123.08153	2.1
125.06076	8.4
125.09710	13.7
127.11297	8.9
128.10808	0.8
128.69585	0.8
135.08160	2.3
137.09715	12.6
141.09201	2.0
143.10773	3.6
148.00156	0.9
151.07668	3.6
153.09230	6.1
155.10777	22.4
156.10242	8.7
156.89354	1.0
163.07637	1.2
171.10255	47.9
181.01476	1.1
181.08740	7.8
198.98729	0.9
199.09740	100.0
199.13374	8.5
199.16966	1.7
200.10078	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	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03453	2.3
58.00592	7.7
59.01385	5.4
61.98822	4.8
67.01889	3.0
69.03452	4.4
71.01373	6.0
71.05034	5.6
71.51894	2.0
73.02942	30.1
82.54676	1.2
83.01376	3.2
83.05028	4.4
84.02163	4.1
85.02946	5.4
86.03728	1.8
87.04524	1.2
92.99807	2.4
95.05013	1.4
97.06591	4.7
97.07146	1.1
99.00887	6.1
99.08144	4.4
101.02393	1.4
101.06112	1.5
109.06578	1.6
111.00892	5.5
112.05277	4.1
113.02441	6.3
113.06075	1.5
119.08672	2.0
123.08153	3.3
125.02416	1.4
125.06092	7.0
125.09715	16.4
127.00380	2.0
127.03989	3.2
127.07643	2.1
127.11297	12.8
129.01936	2.7
130.02724	15.3
135.08151	2.7
136.98775	2.1
137.06020	1.5
137.09709	19.0
141.09215	1.8
143.10757	4.0
143.11790	1.1
151.07654	3.6
153.09193	5.9
154.99854	1.6
155.10774	64.1
162.83907	4.5
163.07687	2.1
164.83594	3.7
171.10260	50.1
172.10634	1.5
181.01401	2.3
181.08688	8.4
199.09744	100.0
199.13388	13.7
199.16907	5.0
199.80515	4.4
200.10052	3.2
202.92261	1.1
212.42105	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	199.0975
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
55.01876	0.9
57.03433	2.2
58.00597	6.8
59.01377	4.7
61.98825	3.4
66.91901	0.7
67.01881	2.1
68.99818	1.1
69.03436	2.7
70.20799	1.3
70.21192	1.5
71.01368	4.3
71.05024	2.7
72.99321	1.2
73.02946	22.7
74.16101	0.7
83.01379	1.5
83.05015	2.9
84.02171	3.9
85.02943	2.5
92.99815	1.6
95.05015	1.5
97.06573	3.2
99.00885	2.6
99.08141	3.1
99.39960	0.8
101.06097	0.8
109.06593	1.0
111.00871	2.8
113.02435	4.3
119.08619	1.0
119.10310	0.8
123.08131	2.6
125.02459	0.9
125.06084	9.0
125.09711	14.4
127.04015	1.9
127.07610	0.8
127.11279	10.1
135.04547	1.1
135.08179	2.6
136.98793	1.1
137.09729	14.9
141.09254	1.9
143.10780	2.8
151.07639	5.1
153.09198	6.4
154.37074	0.8
154.99849	1.1
155.10776	19.7
157.08664	1.1
162.83897	2.7
163.07614	1.8
164.83600	3.0
171.10265	52.0
172.10555	1.5
176.37430	0.8
180.97725	1.0
181.01350	1.1
181.08685	7.8
198.98819	1.6
199.09741	100.0
199.13374	10.7
199.17075	3.0
199.80498	2.3
200.10062	3.3
215.81683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0975
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
51.32178	0.5
53.47287	0.4
55.01876	0.6
56.32431	0.4
57.03460	0.9
57.56950	0.4
59.01384	1.9
61.98836	1.8
62.05751	0.4
65.00343	0.4
67.01901	1.1
69.03456	0.9
69.19297	0.6
69.19698	3.9
71.05036	1.8
71.31270	0.4
72.99310	0.5
73.02925	2.9
81.03464	0.6
83.01411	1.4
83.05036	3.7
85.02976	2.0
85.35703	0.4
87.00900	0.6
92.99838	1.3
95.05039	0.9
97.02919	0.5
98.19881	1.0
99.00858	2.3
99.08163	1.1
109.06596	0.9
111.00907	2.0
111.04582	0.4
111.08154	0.5
113.02449	2.9
117.01952	0.5
125.02407	0.6
127.00394	1.2
127.02180	0.6
127.04012	1.3
135.08157	1.7
136.98811	1.1
137.06108	0.6
137.09724	11.9
139.04102	0.4
141.12810	1.0
153.09225	0.7
153.85393	0.5
154.99910	0.7
155.10773	100.0
156.11136	2.8
156.89461	0.9
157.08646	0.5
162.83867	2.0
164.83621	2.3
169.12314	1.8
171.10234	0.9
181.01390	0.7
181.08751	2.0
198.98676	0.5
199.02469	1.1
199.04230	0.9
199.06024	1.6
199.07814	1.1
199.09735	21.2
199.13382	11.6
199.16992	2.8
199.80379	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
55.01849	1.2
57.03434	1.7
58.00565	1.4
59.01353	1.6
61.98823	5.1
62.42049	1.2
62.57253	0.9
66.02837	0.9
69.56541	6.6
71.05019	10.8
73.02949	6.2
83.01366	2.1
83.04996	1.8
85.02920	1.4
92.99811	1.5
99.00866	5.6
99.08134	2.0
111.00880	3.9
113.02456	3.8
118.21284	1.0
127.00359	1.3
127.03984	1.6
136.47008	0.9
137.09711	3.7
139.11266	7.7
141.12854	2.6
142.03177	0.9
153.12823	5.1
155.10782	14.4
162.83900	5.2
164.83623	4.3
169.12358	4.3
196.78746	1.0
198.80783	1.0
199.06041	2.1
199.09654	5.4
199.13387	100.0
199.17082	4.0
199.80519	2.5
200.13704	3.1
212.27592	1.1
213.58054	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.09023	0.4
59.01359	0.5
61.98830	0.4
67.01870	0.3
71.00095	0.8
88.33270	0.3
98.19963	0.4
98.56856	0.4
99.00893	0.6
111.00887	0.4
155.10782	1.0
163.11270	1.3
169.12363	5.0
180.44493	0.4
181.12346	17.7
181.13969	0.9
182.12689	0.7
197.11847	1.5
199.13390	100.0
199.80627	0.6
200.13669	3.3
211.32013	0.4
213.08879	0.3
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	Unknow
Peak:m/z	Relative Intensity
54.37892	0.3
55.01868	0.3
57.03441	0.4
58.00571	0.3
59.01382	0.5
61.98817	1.0
63.34597	0.3
67.01899	0.5
69.03438	0.3
69.58372	1.7
69.58789	0.4
71.05012	1.3
73.02953	0.6
81.32378	0.3
83.01369	0.5
83.05027	0.6
85.02937	0.7
94.01396	0.3
98.20676	0.4
99.00880	1.1
99.08141	0.5
105.25103	0.4
111.00871	0.7
113.02462	0.8
123.08203	0.3
124.46439	0.3
125.09734	1.8
127.04017	0.5
127.11288	4.2
136.98859	0.3
141.12854	1.1
153.12854	0.9
155.10817	1.5
155.14404	0.7
158.58205	0.4
162.83897	0.9
164.83667	0.6
168.77962	0.3
169.12381	2.1
171.10284	0.5
171.13873	0.3
176.69009	0.3
181.01416	0.3
181.12372	1.1
197.11859	2.2
199.13396	100.0
199.80469	1.0
200.13712	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	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	0.7
70.24887	0.8
88.03648	0.3
92.75126	0.3
139.16705	0.3
157.03558	6.5
158.03667	0.5
159.01448	1.9
201.02538	16.3
202.02722	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.57465	0.3
57.03435	0.5
58.00594	2.5
59.01371	0.6
60.85833	0.2
69.00818	0.3
71.51287	0.6
73.02940	0.8
101.78476	0.3
104.91953	0.3
107.70022	0.3
125.09720	5.7
127.11290	10.1
137.09688	1.8
139.11272	1.2
155.10791	4.0
157.12352	0.8
165.09207	4.2
171.10275	3.1
183.10291	1.8
199.09734	3.4
201.11314	100.0
202.11659	3.1
211.21806	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1132
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
51.20633	0.3
57.03448	6.2
59.01377	2.4
63.67570	0.4
69.03468	1.1
69.39298	2.9
71.05042	0.8
83.05043	0.4
85.02946	0.5
90.91431	0.4
98.20728	0.6
111.08154	5.1
114.10018	0.4
118.18880	0.4
125.28740	0.4
127.11306	0.5
137.09743	1.9
139.11287	98.8
140.11636	2.2
157.12305	1.6
181.98689	0.4
183.10251	52.0
184.10556	1.3
184.87569	0.4
201.11311	100.0
202.11649	3.0
218.10240	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
57.25306	0.4
59.01113	0.7
59.01382	10.1
61.98823	1.4
69.03452	1.1
70.70133	0.6
70.70456	0.8
85.02947	0.8
87.04521	0.7
95.01364	0.5
97.06576	0.7
99.92595	1.1
110.96996	1.0
111.00857	0.5
113.02464	0.6
116.92856	1.6
125.09760	2.1
127.11293	1.6
139.11295	1.8
141.93604	1.0
155.14404	5.3
157.03624	0.5
158.89305	0.7
162.07231	0.4
164.83717	0.5
173.06096	1.1
180.71689	0.5
183.10225	1.3
183.13913	3.0
186.06845	0.4
199.13452	0.6
201.02451	1.3
201.05579	1.8
201.11308	8.3
201.14963	100.0
202.15288	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	203.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
57.03433	1.5
59.01379	88.1
61.98833	5.6
68.99827	0.7
70.03053	2.9
71.01378	7.4
72.00908	12.2
72.99318	1.6
73.02941	1.4
74.02473	17.1
75.00874	6.0
79.95741	2.8
80.96502	1.6
80.99810	0.7
83.01398	2.0
85.02952	2.6
87.04499	0.8
87.92514	0.7
93.03454	7.3
96.96011	41.8
97.06589	1.7
98.00094	3.1
99.00881	4.1
99.08144	5.4
101.02436	2.4
103.92031	23.4
104.97720	6.5
105.01899	0.9
112.98824	7.6
113.02477	6.0
115.04025	1.0
115.07632	0.9
116.05064	59.5
117.01945	1.7
117.05339	1.1
119.89227	0.7
121.02061	1.5
121.02956	46.7
123.04523	100.0
124.04832	1.7
125.06145	0.8
129.01958	1.4
130.06604	2.0
130.94392	5.6
131.03502	5.0
131.05022	3.2
132.08249	0.7
140.98323	6.3
141.05582	2.0
141.09227	1.1
142.06616	14.9
143.07109	3.4
145.01448	1.7
148.95419	5.7
158.99409	1.5
159.04492	1.6
159.09267	9.8
160.89259	2.9
173.00911	2.7
175.04013	0.9
179.50064	0.6
185.04539	2.1
186.05678	1.9
187.91130	0.8
202.92569	0.8
202.94267	6.5
203.00201	52.5
203.03447	4.6
203.08241	43.4
204.00458	1.4
204.08551	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0826
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
51.25372	0.7
54.14277	0.8
55.33338	0.8
58.59890	0.8
59.01377	36.1
61.98814	1.4
69.54067	4.2
69.54487	1.0
72.00910	23.4
74.02476	31.8
75.00897	0.8
78.51807	0.7
81.23311	0.7
85.04741	0.8
99.08155	1.6
99.69828	0.8
101.12206	0.8
103.92033	6.2
104.97718	1.4
116.05063	100.0
117.05405	2.7
124.04090	0.8
130.06604	3.1
131.05022	1.3
132.08162	1.5
142.06631	25.2
143.07054	2.9
148.95428	1.9
151.60934	0.8
159.09271	17.8
160.09596	0.9
161.04762	1.1
161.08185	1.2
164.08429	0.7
186.05638	4.2
202.94176	1.9
203.08253	75.6
204.08591	3.1
205.86459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01715	0.9
69.39586	2.5
70.45319	0.3
71.01405	0.3
83.05038	0.6
97.06590	0.3
97.64619	0.3
99.08157	6.9
103.92034	0.6
104.15163	0.3
113.02426	0.3
125.06120	0.6
125.49252	0.3
130.94412	0.3
141.09245	0.4
143.07123	5.4
148.95505	0.6
161.08188	0.6
203.07393	0.4
203.09251	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27135	0.4
59.01377	100.0
60.01695	0.6
65.35385	0.3
69.44308	2.6
70.31370	0.3
71.80449	0.4
83.05038	0.4
91.82442	0.3
96.45657	0.3
99.08154	7.6
103.92014	0.3
125.06081	0.8
141.09209	0.6
143.07137	7.6
161.08191	0.8
182.47865	0.4
185.08160	0.5
203.03445	0.5
203.09198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1289
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
57.03447	0.5
58.00599	0.2
58.52718	0.2
59.01377	2.8
61.98841	0.3
63.64684	0.2
67.03834	0.2
69.27390	1.0
69.27806	0.4
71.01385	0.3
72.99331	0.3
83.05058	0.2
99.08179	0.5
103.92022	0.6
104.97738	0.5
110.99940	0.2
113.02487	0.2
121.02948	0.5
125.09716	0.8
127.11294	12.5
128.11662	0.3
130.94341	0.2
131.05038	0.6
132.33044	0.2
134.62025	0.2
137.09706	0.4
139.11295	0.6
148.95399	0.3
155.10776	6.6
156.11124	0.2
157.12335	44.4
158.12648	1.3
159.04538	0.4
185.11725	0.9
201.11275	0.9
202.94157	0.5
203.03607	1.0
203.12872	100.0
204.13229	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	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.8
60.01714	1.1
61.01808	0.2
61.98827	100.0
69.91881	0.5
71.01358	0.1
71.14867	0.1
139.60049	0.1
141.59584	0.1
143.86537	0.2
146.93188	0.1
147.79066	0.1
160.03777	0.1
162.89363	0.1
163.99910	0.1
166.83379	0.4
203.79893	0.1
204.00006	1.2
204.02779	0.5
205.15860	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.0
58.02973	12.1
59.01376	5.6
68.99805	0.6
69.03446	2.4
71.01383	4.1
71.50335	0.6
71.50691	0.6
71.51049	0.6
72.04544	2.2
72.99302	7.0
73.02937	1.0
74.02476	2.6
75.00865	2.2
82.03011	0.8
83.01371	0.9
84.04549	4.7
85.02947	11.9
86.06111	1.4
87.00861	3.2
88.04043	0.8
96.04559	0.6
97.02932	1.1
98.02481	1.9
98.06119	6.0
99.00871	1.2
99.04496	0.8
100.04045	14.0
100.07681	0.9
101.02415	1.1
102.05627	0.6
103.00355	2.1
103.92029	1.8
104.92063	1.0
105.01931	3.0
108.04555	2.2
110.06129	1.5
111.00890	2.4
112.07678	0.9
112.98823	1.6
114.05589	2.3
114.09248	1.9
115.00372	3.8
116.07177	16.6
116.98312	2.5
124.07719	2.6
125.02473	2.4
128.07169	2.6
129.01964	2.7
130.02296	0.9
130.94417	0.7
132.03130	0.5
132.06657	1.1
133.01471	1.3
138.05617	2.9
140.06081	1.0
140.07176	19.7
142.08684	0.9
142.99878	1.1
144.06653	1.1
145.01411	1.1
148.95341	0.6
158.08223	42.2
159.08443	0.9
162.07700	3.5
162.89342	0.6
168.06628	2.2
186.04086	1.3
186.07710	15.7
187.08055	0.5
194.70570	0.6
202.07173	2.0
204.08759	100.0
205.03497	1.1
205.07379	0.6
205.09116	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	204.0877
Annotation	N-Acetyl-D-fucosamine
Peak:m/z	Relative Intensity
55.01867	0.8
57.03448	4.4
58.02975	19.5
59.01376	8.2
61.98835	0.8
67.01879	2.0
67.34348	0.6
69.03439	1.5
70.20566	0.7
71.01376	7.8
72.04534	2.7
72.99307	6.5
73.02939	2.7
74.02451	1.7
75.00862	2.8
82.02983	1.0
83.01379	1.8
84.04561	3.5
85.02948	15.1
86.06120	1.3
87.00869	9.6
88.04035	7.3
89.02438	0.8
97.06588	1.4
98.02485	2.2
98.06115	3.9
99.00878	3.4
99.04521	1.6
100.04039	13.3
100.07657	0.8
101.02435	2.9
102.05573	1.0
108.04563	2.9
110.06098	1.5
111.00880	20.2
112.07731	0.8
112.98790	3.3
114.05602	4.0
114.09237	2.1
115.00364	7.2
115.03993	2.2
116.07178	12.5
117.01952	1.0
124.07693	2.7
124.98802	0.8
125.02457	3.2
125.06153	1.0
127.00336	0.8
128.07150	2.7
129.01967	3.5
130.08694	0.7
132.06667	6.7
138.05595	3.9
140.07179	16.7
142.08742	1.0
142.99860	1.2
143.03488	2.3
143.07172	3.1
144.06606	2.2
145.01433	1.9
145.05074	1.5
154.99823	1.8
156.06631	1.1
158.08217	38.5
159.08568	1.0
162.07733	3.8
168.06635	2.1
173.00877	1.7
186.07704	18.0
187.06122	3.3
187.07846	0.7
202.07257	1.2
204.08757	100.0
205.03496	2.1
205.07176	4.4
205.09125	2.4
221.09825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81555	1.4
54.04616	1.4
55.01868	2.2
57.03449	9.8
58.00582	1.9
59.01379	59.2
60.99290	2.6
61.98813	3.1
63.47052	1.4
67.01886	6.6
68.99823	4.8
70.03864	2.0
70.04220	4.9
71.01380	50.5
71.05011	2.2
72.99310	36.6
73.02947	18.9
75.00865	23.8
81.38324	1.3
83.01389	11.6
85.02959	11.0
87.00877	47.9
88.04062	1.5
89.02456	6.9
94.71895	1.2
96.99324	3.3
97.06622	7.1
97.07147	1.4
98.20694	1.5
99.00875	28.9
99.01462	2.7
99.04520	4.8
100.98782	2.7
101.02441	10.0
103.00367	2.3
111.00883	100.0
112.98804	18.6
115.00375	48.3
115.03984	7.0
117.01920	8.1
123.50355	1.5
124.98805	6.5
125.02435	8.9
125.06064	2.8
127.00357	6.8
129.01956	15.1
133.01447	2.3
133.31219	1.5
141.05556	2.1
142.99858	13.5
143.03496	7.9
143.07098	16.7
145.01447	10.7
145.05092	3.5
154.99878	10.4
159.08557	3.7
173.00896	10.7
175.02477	3.7
178.26802	1.6
187.06158	17.2
187.07849	3.2
205.03519	8.9
205.07156	18.0
205.09048	6.8
219.26416	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67438	2.6
55.01871	15.3
57.03449	21.1
59.01376	79.4
60.99293	9.0
61.98823	7.1
64.73905	2.8
67.01870	9.9
67.47270	3.0
68.94581	3.2
68.99804	9.5
71.01379	100.0
71.25944	5.6
72.99305	94.9
73.02945	19.9
75.00867	61.8
76.28405	2.9
83.01385	44.2
85.02943	26.9
87.00881	38.8
89.02435	17.7
99.00879	52.0
100.98793	12.3
101.02419	20.0
111.00883	47.1
112.98804	47.6
115.00368	78.0
117.01900	10.3
124.98759	8.8
125.02391	5.7
127.00372	8.6
129.00978	3.1
129.01932	51.5
130.08688	4.6
133.01434	15.8
142.99864	22.6
143.03470	4.7
145.01395	19.9
154.99815	11.1
157.01358	3.7
157.69592	3.0
159.08472	3.3
173.00864	8.2
175.02454	7.4
205.03430	5.4
205.09021	8.5
205.15932	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	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01375	26.6
61.98829	2.5
67.01886	6.0
69.03470	0.9
70.69966	1.0
70.70304	0.7
71.01373	10.7
71.05019	2.7
72.99305	9.3
73.02953	5.2
73.03288	0.8
74.86459	0.7
75.00873	2.9
76.34962	0.7
78.70699	0.6
83.01392	2.5
83.05028	1.2
85.02934	3.1
87.00873	38.0
87.74034	0.6
89.02435	0.7
95.05044	0.7
97.06586	23.0
99.00828	3.2
99.04520	2.4
99.08137	1.2
101.02450	2.0
103.00357	1.1
103.92041	0.9
105.01905	0.7
111.00877	100.0
111.93335	0.6
112.01197	1.7
112.98810	0.7
115.00368	4.7
115.04008	17.1
117.01949	0.9
125.02451	1.4
125.06069	7.4
127.04005	1.1
129.01935	2.6
130.99857	1.0
132.06493	0.7
133.01405	1.6
141.05579	6.2
142.99854	1.5
143.03494	11.2
143.07133	44.8
145.01424	2.1
145.05055	4.6
146.03716	0.8
153.21519	0.7
154.99899	1.9
161.02412	0.8
161.06091	0.9
163.10991	0.6
169.04997	2.1
173.00879	2.5
187.06107	42.6
188.06462	0.9
190.09360	0.7
205.03619	3.7
205.07150	47.5
205.15955	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	205.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.1
59.01375	26.6
61.98829	2.5
67.01886	6.0
69.03470	0.9
70.69966	1.0
70.70304	0.7
71.01373	10.7
71.05019	2.7
72.99305	9.3
73.02953	5.2
73.03288	0.8
74.86459	0.7
75.00873	2.9
76.34962	0.7
78.70699	0.6
83.01392	2.5
83.05028	1.2
85.02934	3.1
87.00873	38.0
87.74034	0.6
89.02435	0.7
95.05044	0.7
97.06586	23.0
99.00828	3.2
99.04520	2.4
99.08137	1.2
101.02450	2.0
103.00357	1.1
103.92041	0.9
105.01905	0.7
111.00877	100.0
111.93335	0.6
112.01197	1.7
112.98810	0.7
115.00368	4.7
115.04008	17.1
117.01949	0.9
125.02451	1.4
125.06069	7.4
127.04005	1.1
129.01935	2.6
130.99857	1.0
132.06493	0.7
133.01405	1.6
141.05579	6.2
142.99854	1.5
143.03494	11.2
143.07133	44.8
145.01424	2.1
145.05055	4.6
146.03716	0.8
153.21519	0.7
154.99899	1.9
161.02412	0.8
161.06091	0.9
163.10991	0.6
169.04997	2.1
173.00879	2.5
187.06107	42.6
188.06462	0.9
190.09360	0.7
205.03619	3.7
205.07150	47.5
205.15955	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	205.1595
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
57.27188	0.2
58.96125	0.2
59.01369	0.6
63.34168	0.2
70.82839	0.3
71.01376	0.6
75.00860	0.2
84.47083	0.1
87.00889	0.2
99.00841	0.3
115.00350	0.7
162.89288	0.3
189.12823	1.1
205.15955	100.0
206.16298	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
52.30173	0.6
58.02973	33.1
58.49561	0.6
59.01365	1.3
70.02975	12.3
70.07861	1.1
70.08270	1.8
72.00899	3.9
75.52312	0.6
91.05531	13.5
91.23492	0.5
103.05536	2.0
135.04538	1.0
143.10504	0.6
147.04510	37.9
148.04861	0.8
157.98569	0.7
162.09229	1.8
164.07155	100.0
165.07483	2.5
206.08205	44.3
207.08606	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02975	39.1
58.67059	1.0
59.01372	2.5
66.40878	0.8
70.02981	11.1
70.98695	2.1
72.00910	5.6
76.39866	0.7
81.47162	0.7
91.05528	12.9
102.99697	1.0
103.05524	1.2
119.05027	1.0
135.04552	0.9
147.04517	38.2
162.09163	1.1
164.07159	100.0
165.07498	2.7
177.01886	0.8
206.08206	45.8
206.16554	0.8
207.08597	1.5
216.72163	0.9
227.41992	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9743
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.2
57.03446	0.1
59.01377	1.4
61.98828	100.0
62.98545	0.2
69.84965	0.4
69.85378	0.2
84.66038	0.1
87.70873	0.1
96.32487	0.1
97.40785	0.1
129.01968	0.4
147.02983	0.3
152.26784	0.1
162.98457	1.7
164.96408	0.2
177.01897	0.3
192.04268	0.6
192.23619	0.1
206.97438	10.7
207.06508	0.2
207.97566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
55.93618	0.2
56.84325	0.2
57.77539	0.3
59.01376	0.3
65.72248	0.3
67.01849	0.4
69.29360	0.3
69.56640	0.5
69.57059	1.2
69.58546	0.3
77.03946	0.5
83.04997	0.6
91.01900	1.3
93.03460	0.4
93.09673	0.3
95.01423	0.4
98.19867	0.3
120.02185	3.1
121.02955	100.0
122.03261	2.2
133.02945	1.2
136.01660	1.0
150.03252	0.4
165.01816	0.3
165.05652	0.4
181.05104	0.6
183.72966	0.3
194.02267	0.3
194.05780	0.3
209.04553	16.2
209.11797	6.3
209.93799	0.3
210.04898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
54.55775	1.0
55.01870	3.4
57.03447	22.6
57.26177	1.0
58.00588	2.2
59.01377	26.9
68.99815	1.4
71.01379	18.8
71.50301	1.7
72.99309	3.0
73.02934	2.2
75.00858	5.9
78.09271	1.1
78.95905	7.3
83.01386	14.0
84.02170	3.9
85.02948	41.9
86.00098	2.2
87.00874	100.0
87.04515	1.4
89.02442	15.3
89.07317	1.2
97.02934	1.7
99.00882	15.1
101.02457	2.4
107.73923	0.9
110.89933	3.8
110.98523	4.4
111.00859	2.9
115.00346	1.2
115.04003	8.6
129.01945	56.1
130.02271	1.0
135.02986	19.9
159.02986	11.5
191.05614	1.4
208.93341	1.3
209.06657	96.4
210.07019	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	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
54.16697	1.3
55.01858	3.3
57.03447	20.6
58.00582	1.8
59.01382	28.0
68.99830	2.5
70.35641	4.4
71.01376	20.5
72.99281	2.9
73.02927	7.7
78.95895	1.3
83.01394	10.0
84.02175	3.3
85.02952	42.9
87.00876	77.5
87.04485	1.5
89.02440	10.6
93.03461	5.1
99.00879	17.0
101.02441	3.9
111.00859	6.3
111.04479	1.8
112.98815	3.3
113.02457	1.6
113.81870	1.3
114.59690	1.2
115.04011	7.2
117.61436	1.3
129.01942	54.8
134.62665	1.4
137.02409	2.9
140.60457	1.4
141.01984	2.3
142.99878	15.5
148.43314	1.2
153.51076	1.2
155.03485	1.5
159.02960	11.1
173.00931	3.5
173.04550	10.2
209.06650	100.0
210.07004	2.1
218.73811	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0666
Annotation	Sedoheptulose
Peak:m/z	Relative Intensity
55.01860	3.2
57.03447	23.8
58.00579	2.4
59.01378	34.0
61.98539	1.5
61.98828	21.7
68.99797	3.0
69.03432	2.1
71.01379	22.7
72.99285	4.0
73.02942	5.6
74.99081	1.3
75.00862	4.1
78.21088	1.0
78.95895	4.4
80.96085	1.0
80.96505	6.9
81.03439	1.3
83.01389	11.2
83.05007	1.9
84.02178	5.0
85.02952	48.7
86.00091	2.5
86.05761	1.0
87.00874	91.6
87.04494	2.0
89.02446	15.8
92.83391	1.0
93.03455	10.5
95.01374	1.4
96.96000	3.1
97.02937	2.0
99.00874	14.5
101.02425	4.9
104.05009	1.6
109.02917	2.3
111.00861	5.0
111.04546	5.1
113.02362	1.6
115.00349	1.1
115.04008	7.8
121.02940	13.0
123.04523	1.3
124.00784	1.4
124.04038	2.9
129.01942	61.8
135.04480	1.8
136.93987	1.8
136.94939	1.3
137.02489	5.8
137.03357	2.0
137.06073	1.2
141.01840	1.6
142.99818	2.1
147.02974	1.9
148.03987	3.9
159.02974	14.3
165.03998	2.4
165.05524	2.4
165.09178	1.3
166.05084	8.1
173.04550	16.7
176.47470	1.1
179.03514	2.7
191.01941	2.0
191.05542	3.6
194.02156	1.9
194.05815	1.7
208.93387	4.1
209.01009	3.9
209.04596	6.9
209.06627	100.0
209.11836	14.5
209.94893	9.0
210.04034	1.2
210.06973	1.6
228.95657	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0819
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
52.64600	0.2
52.83399	0.3
57.03454	0.4
59.01389	1.8
61.98829	0.5
67.01886	0.5
69.79030	1.4
71.01395	0.4
80.02656	1.4
81.03436	1.7
83.01395	0.4
83.05023	4.6
85.02969	0.6
87.00887	0.6
89.02420	0.4
91.01900	0.2
93.03432	0.9
94.03014	0.4
95.05019	0.7
97.06574	0.4
98.20599	0.3
107.05022	0.9
107.61044	0.3
108.02146	0.5
109.02921	0.5
111.00832	0.3
111.04524	0.3
117.04284	0.3
120.02154	0.6
120.27268	0.3
121.02952	41.9
121.06605	0.5
122.03259	0.7
123.04513	4.0
124.04061	1.0
125.06093	0.3
129.01892	0.5
129.45918	0.3
135.08160	0.7
136.01633	0.9
136.98906	0.3
137.02451	0.5
137.06094	0.6
147.11827	0.3
151.04001	24.4
152.04359	0.7
163.11258	3.8
165.01865	0.4
165.05539	1.1
165.12872	2.5
179.03484	96.8
180.03796	2.6
181.05058	0.5
181.12383	0.7
191.10774	0.9
193.05013	1.5
194.05824	100.0
195.06181	3.0
209.01031	0.4
209.04709	7.3
209.08223	34.5
209.11795	65.6
210.08498	0.9
210.12134	2.1
229.19510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08801	0.2
58.33768	0.2
59.01374	0.4
67.51162	0.2
71.50974	0.2
71.51311	0.2
78.95885	0.3
80.02669	2.1
81.03453	1.8
83.01372	0.3
83.05021	7.0
93.03434	0.4
93.96999	0.2
95.05010	0.8
97.03003	0.2
97.06620	0.4
98.53320	0.2
101.81735	0.2
106.04147	0.2
109.06587	0.5
111.08110	0.2
114.20227	0.2
119.05024	0.2
121.02951	6.9
125.06060	0.6
125.09715	0.2
127.57629	0.2
135.08170	1.0
147.11819	0.4
152.69519	0.2
157.67528	0.2
163.11293	6.3
165.12843	3.8
181.12326	0.9
182.37883	0.2
191.10800	1.7
209.04729	1.1
209.11809	100.0
210.12146	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	209.1182
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.03452	0.2
58.90942	0.2
59.01362	0.4
63.80576	0.2
67.09986	0.2
69.82342	0.7
80.02679	1.8
81.03445	1.5
83.05024	7.5
93.03482	0.3
95.05009	0.9
97.06612	0.2
98.20618	0.3
109.06567	0.5
116.45551	0.2
121.02965	3.0
125.06058	0.7
129.53085	0.2
129.59218	0.2
135.08199	1.2
141.79912	0.2
147.11761	0.3
152.17685	0.2
163.11282	5.9
165.11438	0.3
165.12831	4.2
173.09518	0.2
181.12344	1.0
191.10756	1.3
209.11810	100.0
210.12144	3.5
226.33250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	Pulchellon
Peak:m/z	Relative Intensity
55.10458	0.6
57.03433	3.0
59.01374	9.7
60.96969	0.6
69.03455	21.5
71.01374	1.2
71.05024	3.0
71.28755	1.0
80.02650	0.7
83.05016	1.8
93.03454	2.5
95.05021	2.1
96.96024	1.7
97.06586	1.7
107.08636	0.7
108.05815	1.5
109.06594	1.8
111.08157	5.3
117.54042	0.6
121.02953	11.3
121.10219	1.6
125.64089	0.7
127.07666	1.2
135.08115	2.0
137.09758	0.8
139.07642	1.2
147.11829	2.4
153.09187	6.4
163.11252	2.8
163.46208	0.7
165.09193	3.5
165.12836	19.6
173.09665	1.5
181.12332	23.5
191.10777	27.3
192.11055	1.5
209.04504	2.1
209.11818	100.0
210.12187	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	209.1182
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
50.70735	0.4
69.03471	0.5
69.97019	1.3
76.37656	0.4
82.86276	0.4
86.55024	0.4
92.86777	0.4
93.03477	0.4
95.47862	0.5
98.20596	0.6
121.02951	12.1
122.03313	0.5
124.04031	0.5
165.12769	0.4
209.04660	2.3
209.11810	100.0
210.12160	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	209.1181
Annotation	Oxyphyllenone A
Peak:m/z	Relative Intensity
55.01866	1.1
57.03449	4.9
58.00585	0.6
59.01366	2.1
61.98816	1.9
69.03456	1.9
71.01379	12.9
73.02940	0.8
74.89302	0.6
80.02657	1.4
81.03447	2.2
83.01381	10.6
83.05022	4.4
84.02173	1.5
85.02940	0.8
86.38962	0.6
91.01911	1.1
92.99808	1.5
93.03442	2.1
94.02991	1.0
95.05010	1.5
97.06583	3.8
106.04273	0.7
107.05018	0.7
108.02177	0.6
109.06591	1.1
111.08160	1.1
120.02133	0.7
121.02951	46.3
122.03270	1.0
123.08136	2.0
124.04025	2.6
125.09718	12.5
126.10002	0.6
134.03711	1.1
135.08167	1.5
136.01605	0.6
137.02385	0.9
137.09702	0.9
145.10219	1.3
147.11766	1.9
149.09764	0.5
151.11279	14.3
153.09097	0.6
153.12805	2.2
161.09726	1.2
163.11272	9.3
164.98358	0.7
165.12833	13.4
167.10724	1.3
173.09680	1.4
179.10771	4.1
181.12334	27.4
191.10760	13.4
192.11111	0.7
209.00888	1.2
209.04564	6.5
209.11812	100.0
210.07692	0.5
210.12117	3.2
215.25731	0.6
227.28877	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98827	100.0
70.39549	0.7
84.04520	0.2
88.11449	0.2
91.92091	0.4
94.02988	0.9
103.91995	0.2
121.91900	0.3
123.04496	0.3
124.04041	3.0
137.94409	0.3
155.80310	0.2
156.93846	0.4
163.95645	0.4
164.96408	0.7
166.91020	0.6
209.94882	35.8
210.07744	0.4
210.12097	0.7
210.91479	0.4
210.94952	1.1
211.13374	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	210.0407
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
52.15613	0.5
59.01374	6.4
61.98829	21.3
66.03498	0.5
68.93340	0.5
70.92490	1.1
72.99294	0.7
77.03986	0.5
78.95885	1.1
84.95152	0.5
92.05089	0.7
94.02979	2.6
95.40913	0.6
96.96021	0.6
103.04247	1.7
104.05062	33.8
105.05368	1.1
109.02904	0.7
120.04568	5.9
122.02493	0.7
122.03292	1.2
122.06106	1.8
123.04538	1.1
124.04047	6.5
129.05560	0.7
134.03700	0.7
136.01675	3.0
148.04039	57.4
149.04349	1.8
151.04005	4.9
152.01169	1.6
166.05083	100.0
166.81937	0.6
166.91052	1.2
167.03471	0.9
167.05414	2.1
167.34999	0.6
173.84770	0.6
209.94911	7.5
210.01991	1.2
210.04053	16.2
210.07425	1.3
210.12111	0.9
211.02460	0.6
211.06096	1.8
211.13411	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	211.0246
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
51.02378	0.5
51.05371	0.5
53.00288	0.9
57.03413	0.6
59.01386	0.9
63.87738	0.5
67.01891	14.6
68.99827	3.8
69.03457	0.6
70.45027	1.2
70.45396	1.2
71.01413	0.5
72.99311	0.7
80.02662	1.2
81.03455	98.4
81.25021	0.5
82.03786	1.8
83.01397	0.6
93.03484	1.1
93.16405	0.5
95.01380	8.1
95.04996	1.6
108.02158	1.0
109.02981	0.6
121.02971	1.0
122.03708	1.2
123.04523	100.0
124.04829	2.2
137.02435	0.7
142.99857	1.8
167.03439	3.1
173.00940	0.6
173.04601	0.7
211.02571	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	211.0247
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
53.00311	1.1
59.01373	2.4
60.51582	0.5
67.01888	13.9
68.99821	3.4
70.82395	0.5
71.01394	0.7
71.04372	1.3
79.15888	0.6
80.02678	1.9
81.03453	100.0
82.03789	1.9
83.01361	0.6
95.01382	7.0
95.05029	2.1
96.96022	0.6
104.30943	0.6
108.02189	2.0
120.67689	0.6
121.02951	1.6
122.03700	0.8
123.04517	84.3
124.04865	1.9
137.02420	0.7
156.33179	0.5
165.54520	0.5
167.03476	3.5
211.02507	1.4
220.27480	0.5
220.79225	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04108	0.4
57.89859	0.4
60.17044	0.4
61.98841	0.5
69.03436	0.6
69.81093	2.0
81.34505	0.4
97.54003	0.5
156.81975	0.5
157.51990	0.5
167.10765	0.7
167.14391	1.7
183.13885	12.3
193.12341	3.8
199.36198	0.4
211.13377	100.0
212.13712	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	211.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52391	0.4
62.55418	0.3
69.03442	0.6
71.28295	0.6
71.28609	0.4
72.63240	0.3
82.29006	0.3
88.47060	0.3
155.10718	0.4
158.20122	0.4
165.12753	0.5
167.10829	0.4
167.14398	1.2
182.33621	0.3
183.13896	11.8
184.14230	0.7
193.12300	2.8
211.13382	100.0
212.13725	3.3
219.00880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.6
59.01377	1.9
60.64759	0.3
66.03438	0.3
69.03433	0.4
69.91459	1.5
80.43049	0.3
81.03424	0.3
83.04986	0.3
97.06593	0.9
100.62789	0.3
107.01414	0.6
108.02167	0.5
114.71987	0.3
118.92341	0.4
131.24010	0.3
151.11281	14.7
151.12515	0.7
152.44321	0.3
153.05537	0.3
168.96494	0.3
168.98952	2.6
169.12335	100.0
170.12691	3.3
174.78423	0.3
183.13948	1.8
195.10219	0.8
195.13898	1.8
197.99243	0.3
213.11327	16.7
213.14883	8.5
213.18661	1.0
213.32858	0.3
214.11488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
55.28499	0.2
57.03454	0.4
59.01387	0.7
69.03448	0.3
69.78923	1.2
71.05044	0.2
72.81012	0.2
97.06600	0.6
107.78611	0.2
140.00475	0.3
151.11281	13.0
166.40416	0.3
169.12337	100.0
170.12680	2.7
177.90308	0.2
183.13889	0.7
195.10231	0.7
195.13864	0.5
213.11319	21.8
213.14914	1.9
214.11623	0.6
222.00029	0.3
228.69269	0.3
230.85672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0923
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
57.03450	1.1
59.01373	9.3
61.98822	1.0
63.00540	1.1
69.63940	1.8
69.64349	3.0
71.01389	2.2
72.00917	2.8
72.99299	1.2
86.56992	0.8
89.02447	1.8
97.06572	1.0
101.02428	1.1
111.08173	1.9
114.18109	0.9
122.89453	5.1
125.09715	7.7
127.11270	5.2
143.10754	7.9
144.00874	3.3
153.09215	7.6
155.07118	9.5
171.02017	1.2
171.10260	100.0
171.77991	0.9
172.10674	2.2
186.89742	3.0
197.08052	1.4
215.00995	31.7
215.03145	1.7
215.09229	96.0
216.01169	1.3
216.09575	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	215.1287
Annotation	UNDECANEDIOIC ACID
Peak:m/z	Relative Intensity
52.62354	0.6
57.03436	1.4
58.02707	0.6
58.83846	0.5
59.01372	2.7
61.98815	1.6
71.01366	1.2
71.52466	0.6
78.92796	0.5
89.02442	1.9
94.76112	0.6
99.00826	0.6
99.47774	0.5
100.98296	0.5
100.98907	0.5
101.02441	1.0
122.89418	6.3
125.09735	1.3
144.00920	4.6
151.11288	0.7
153.12848	41.7
154.13152	1.5
168.88612	0.6
171.02022	0.7
172.05322	2.6
186.89790	4.4
197.11821	49.8
198.12135	1.9
200.04773	23.2
201.05156	1.3
211.00011	0.6
215.01018	33.7
215.07121	100.0
215.12849	92.2
216.01266	1.8
216.07487	5.4
216.13150	3.3
232.03735	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.108
Annotation	3-Hydroxysebacic acid
Peak:m/z	Relative Intensity
59.01379	13.4
69.34572	6.4
96.07877	0.7
98.19933	1.5
113.09738	1.2
115.16048	0.7
125.09705	1.2
127.11288	1.8
137.09724	3.4
155.10776	34.7
156.10995	0.8
156.93260	0.8
157.08652	0.8
158.24950	0.9
171.10262	44.5
172.10553	1.4
181.08778	1.1
196.92902	0.8
199.09752	6.4
207.27304	0.8
217.10791	100.0
218.11038	3.9
239.84109	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
59.01381	3.1
59.67500	0.5
70.98993	1.1
71.01382	10.8
71.05016	16.6
72.00907	0.8
75.00877	1.1
85.02889	0.5
88.04038	100.0
89.04372	0.9
99.04506	4.7
116.03521	0.6
116.07175	2.8
129.05583	1.0
146.08226	52.9
147.08521	1.1
199.76550	0.5
218.10310	33.9
219.10674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.0
63.26117	0.5
69.55943	2.4
71.01382	11.3
71.05018	16.5
88.04038	100.0
89.04386	1.1
93.71373	0.4
97.27394	0.4
99.04518	5.5
102.97614	0.4
104.00668	0.4
116.03538	0.8
116.07190	3.0
119.58651	0.5
129.05579	1.1
146.08224	50.1
147.08534	1.0
185.73904	0.5
218.10315	33.0
219.10712	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83731	1.1
59.01378	100.0
60.01713	1.2
61.98824	4.7
63.96222	1.2
68.91994	1.3
69.15958	12.1
77.17659	1.1
83.27365	1.1
188.04086	1.2
219.02948	1.6
219.06543	2.0
219.10249	2.4
219.17529	15.5
238.89297	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0301
Annotation	3-Deoxy-lyxo-heptulosaric acid
Peak:m/z	Relative Intensity
57.03447	11.7
59.01379	100.0
60.01711	0.6
60.99313	0.8
69.03448	3.8
69.65915	3.7
71.01382	26.4
72.99308	11.8
73.02966	3.3
73.03325	0.8
74.07121	0.6
75.00880	1.5
75.36748	0.7
83.01373	1.1
84.64656	0.7
85.02948	8.9
87.00871	7.9
87.04533	3.0
89.02441	6.7
97.02957	2.7
99.00839	0.9
101.02452	3.2
105.01933	1.1
113.02458	2.5
115.00378	2.2
115.04021	1.4
129.01944	94.7
130.02254	1.3
131.03470	1.5
133.01430	11.5
140.69920	0.6
141.01930	7.8
145.01434	1.0
152.68076	0.6
159.03021	7.1
159.89308	0.6
161.02863	0.8
161.04547	4.3
166.94568	0.6
177.01776	0.9
179.03819	1.1
185.00890	0.8
203.01930	5.2
204.05005	0.7
221.03018	2.5
221.06633	2.5
221.08557	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0665
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
57.03442	1.7
59.01377	100.0
60.99302	1.6
65.34383	0.7
66.10870	0.8
69.39699	5.2
71.01381	5.4
72.99311	9.8
73.02940	5.0
75.00869	1.6
83.01373	1.2
85.02948	3.5
87.00888	2.6
89.02438	5.2
101.02433	4.9
115.00357	1.7
119.74139	0.7
120.78708	0.7
124.89079	0.8
129.01939	8.6
131.03482	2.2
133.01413	4.0
133.94348	0.8
145.01411	1.6
161.04556	11.0
187.26523	0.8
221.06546	1.1
237.56439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1339
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03440	1.0
59.01377	7.0
61.98820	0.6
65.03929	0.2
69.03458	7.1
69.16853	0.4
69.17268	1.8
71.01379	0.9
71.05021	2.1
73.02928	0.2
80.02665	0.3
80.91655	0.2
81.03492	0.2
83.05021	1.2
85.06595	1.5
89.00314	0.2
93.03465	0.7
95.05023	1.4
97.06579	0.3
99.08099	0.2
105.82229	0.2
107.01369	0.4
107.05029	0.2
107.08650	0.5
108.05784	0.4
109.06603	1.5
111.08118	0.5
121.02918	0.2
121.10172	0.3
123.08131	0.3
125.09722	1.3
135.00923	0.3
135.11792	0.6
141.09229	0.6
149.09705	1.6
151.11287	0.4
153.09232	0.7
161.13318	1.1
165.01978	0.3
167.09338	0.5
167.10767	9.0
168.11099	0.5
176.98288	0.4
177.12834	1.3
178.99821	0.2
179.09328	0.4
179.10806	3.1
179.14403	10.1
180.14757	0.6
187.11278	0.5
193.01404	0.8
194.99301	0.3
195.13893	24.4
196.14273	0.9
205.12321	20.1
206.12645	0.9
208.03777	0.6
223.13383	100.0
224.13707	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	223.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.4
58.02748	0.4
59.01377	5.3
61.98817	1.9
69.03448	5.7
69.43278	1.5
69.43697	1.3
71.01416	0.5
71.04999	1.9
71.05358	0.6
71.44160	0.4
74.99064	0.5
83.05013	0.8
85.06554	0.9
93.03442	0.6
95.05019	1.0
108.05824	0.7
109.06590	1.5
110.93945	0.4
111.08140	0.5
125.09698	0.9
126.49043	0.4
129.76979	0.4
149.09702	1.2
153.09212	0.8
161.13391	0.8
166.06300	1.6
167.10757	7.9
177.12833	1.7
179.10765	3.7
179.14413	9.0
195.13884	23.8
196.14218	1.4
205.12317	20.1
206.12630	1.3
223.02800	2.0
223.13374	100.0
224.13722	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	223.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70957	0.6
59.01364	3.1
61.49318	0.6
69.03446	4.4
69.18037	6.2
69.18446	1.9
71.01397	0.7
71.05025	1.6
73.79984	0.7
82.51059	0.7
85.06591	1.4
95.04426	0.6
95.05005	1.8
98.20632	1.2
103.77086	0.8
109.06605	1.3
149.09741	0.9
153.09212	0.8
161.13333	1.4
167.10750	7.6
177.12770	1.7
179.09335	0.8
179.10712	3.7
179.14418	9.2
179.15915	1.2
188.30202	0.7
195.13885	23.0
196.14182	1.0
205.12332	18.9
223.13371	100.0
224.13681	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	225.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40748	0.6
57.03449	0.7
59.01371	2.7
61.98820	1.1
67.01898	0.9
69.22405	3.1
69.22831	2.2
83.01367	1.1
86.10093	0.6
91.33952	0.6
93.03459	7.4
95.01363	0.9
96.95985	0.9
97.02963	1.0
99.08163	0.7
108.02200	0.8
109.02944	2.4
109.06576	1.4
111.02815	0.6
112.87390	0.6
117.93529	0.6
119.41264	0.7
120.81947	0.5
121.02974	1.1
126.90546	0.9
137.02446	24.6
137.09697	0.8
138.01936	0.7
138.03189	1.1
147.32274	0.5
149.02460	0.6
151.04079	0.9
153.01871	0.7
161.08257	0.8
163.11247	1.3
165.01921	97.4
166.01035	0.7
166.02284	2.8
166.06323	0.6
177.01851	0.8
178.83362	1.3
179.03555	2.3
180.04269	100.0
181.04619	2.4
181.12335	1.7
188.90410	0.6
194.04639	0.7
195.02983	38.7
195.06613	95.6
196.06937	3.2
207.10243	3.3
210.05319	52.4
211.05669	1.6
224.80261	1.0
224.90544	1.9
225.00443	2.6
225.04041	1.9
225.07674	58.8
225.10966	7.2
225.82155	0.7
226.07916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.1
61.98819	1.5
67.01878	0.7
68.73207	0.7
69.78441	3.2
79.61081	0.6
81.03471	0.7
83.05042	0.7
93.03443	3.2
93.28322	0.7
95.01392	1.5
96.95995	2.4
97.02942	0.8
98.19999	0.9
99.00803	0.6
99.08138	2.2
103.43153	0.6
109.02956	5.4
121.02947	2.0
123.00875	3.6
123.04519	0.6
126.90462	1.3
137.02438	29.4
137.09592	0.8
138.03183	1.3
146.86227	0.7
148.01674	0.8
149.02408	2.5
151.00346	1.6
151.03972	1.0
152.01027	0.7
153.05548	1.4
165.01915	93.5
166.02318	2.4
179.03473	3.0
179.50070	0.7
180.04271	98.2
181.04750	4.2
195.02972	46.3
195.06607	100.0
196.03268	0.7
196.06992	3.6
198.14865	0.6
207.02859	1.1
207.10266	1.1
209.04637	1.3
210.05319	64.0
211.05663	2.8
211.41136	0.6
224.90372	0.9
225.00453	1.8
225.07668	60.1
225.11317	2.1
226.07983	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	225.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
57.93864	0.4
59.01388	1.8
61.98832	1.1
71.51421	0.5
78.95923	1.4
81.03463	1.0
83.05051	0.6
89.76099	0.5
93.03463	3.8
95.01372	3.9
97.02969	0.8
99.00953	0.6
99.08165	1.5
105.03473	1.0
107.05037	0.6
109.02985	0.8
111.00908	0.8
111.04503	0.6
121.02950	3.5
122.03760	0.5
123.00878	23.0
123.04520	1.2
124.01723	0.7
125.02443	4.2
126.44311	0.5
126.90503	1.0
137.02472	1.6
138.03232	0.8
139.00380	1.8
139.04037	0.7
149.02461	3.8
151.00369	11.6
151.04045	0.9
152.01167	3.3
153.01935	1.8
153.05608	0.9
161.08258	1.0
163.11275	0.6
164.04839	1.4
165.00255	0.5
165.01859	0.7
166.00946	1.0
166.02705	2.0
166.99852	0.6
167.03485	3.0
177.01868	2.8
180.04175	0.9
181.01384	0.7
181.05025	3.8
181.06453	0.7
192.04276	1.6
193.05037	0.5
195.02977	70.9
196.03333	1.9
197.00833	0.7
207.03015	1.0
207.06657	1.1
207.10291	0.9
209.04582	1.8
210.05327	100.0
211.05692	3.7
224.90439	0.7
225.00421	1.3
225.07671	67.5
225.11287	3.7
226.07986	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	225.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.3
61.98831	0.6
62.27588	0.6
69.68079	1.3
69.68490	1.9
70.66514	0.5
93.03432	4.4
95.01402	1.0
95.98431	0.5
96.05546	0.5
96.60319	0.5
109.02939	2.7
110.60134	0.5
119.31871	0.6
121.53935	0.6
123.00835	0.7
125.74562	0.6
126.90500	1.4
137.02440	20.5
151.03964	1.0
153.05478	0.9
163.00473	0.8
165.01923	86.9
166.02258	2.2
179.03470	1.7
180.04276	100.0
181.04655	3.6
181.06573	0.8
181.12302	1.0
195.02985	34.6
195.06612	91.8
196.03285	1.2
196.06952	3.2
207.10143	1.1
210.05319	49.5
224.53233	0.7
224.90691	0.6
225.00403	2.1
225.07681	50.9
225.11307	3.7
226.08060	1.5
226.11031	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
69.60725	2.1
69.61137	1.1
71.50231	0.4
73.27409	0.4
73.51958	0.5
97.02943	8.3
98.03328	0.5
99.00887	2.6
109.06587	3.6
110.03738	3.8
135.08125	1.1
136.05298	2.4
141.82948	0.5
142.02693	2.0
161.09709	1.4
163.11282	10.4
165.09138	0.5
179.10858	0.8
181.12337	28.1
182.12648	0.9
189.09213	0.6
197.11858	1.2
207.10246	60.0
208.10512	3.3
225.11307	100.0
226.11671	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19377	0.9
52.90399	1.1
59.01381	12.3
61.98802	1.4
69.03464	1.7
69.46414	3.9
69.46821	2.9
71.87520	1.1
73.02944	7.5
80.02681	2.4
81.03442	6.4
83.05019	6.2
84.02148	3.2
85.02967	1.1
93.03433	1.2
95.04977	1.4
97.02944	11.6
107.05038	1.9
109.06586	66.1
109.63807	1.0
110.03726	5.4
110.06937	1.7
121.06584	4.8
135.08171	6.7
136.05284	2.7
142.02681	5.3
150.95503	1.1
151.11122	1.2
161.09741	3.2
163.11285	35.4
179.10756	2.0
181.12331	59.8
182.12697	2.8
189.09189	1.9
207.10248	100.0
208.10587	4.6
225.11307	79.4
226.11623	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	225.1131
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01877	0.7
59.01379	10.4
60.01715	0.5
61.98837	5.5
65.00309	0.7
65.68765	0.5
68.99034	0.5
69.03456	2.4
69.94141	2.6
71.05018	1.0
80.02694	2.1
81.03464	6.8
82.03802	0.6
83.05011	4.1
84.02178	2.9
85.02961	1.2
86.68199	0.6
93.03443	5.4
95.01446	0.6
95.05013	2.0
97.02943	10.4
97.06605	0.8
99.00890	1.1
99.04536	1.6
106.04230	0.8
107.05034	1.8
109.02971	1.5
109.06590	56.1
110.03736	4.1
110.06922	1.1
111.04535	1.3
113.19741	0.5
121.06590	3.8
123.04536	1.2
125.02336	0.6
125.09717	1.4
126.90517	1.7
133.06575	0.7
135.08150	6.5
136.05280	2.5
136.10802	0.6
136.98833	0.5
137.02420	1.5
137.09688	0.7
142.02731	6.5
145.10271	0.7
161.09714	2.4
163.00388	0.7
163.11281	32.8
164.11594	1.4
165.01923	0.5
165.09200	0.6
178.83437	1.9
179.10776	1.1
181.01529	0.6
181.06659	0.8
181.12338	18.8
181.15929	0.7
182.12628	0.7
189.09229	1.6
195.02838	0.6
195.06570	0.5
197.11853	1.4
206.99248	0.6
207.10246	100.0
208.10582	5.7
224.80229	0.9
224.90547	2.3
225.00452	2.2
225.11307	98.7
225.92601	2.1
226.11632	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	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
57.03448	0.3
58.02975	0.6
59.01373	1.2
61.98822	2.3
67.19601	0.2
68.99792	0.3
69.03433	0.3
69.50152	1.0
69.50564	0.9
71.01381	0.5
80.05051	0.7
81.03452	12.4
82.06634	0.3
83.05022	73.0
84.05341	1.4
88.76743	0.3
93.03446	2.8
94.02981	0.5
95.01376	0.4
95.05042	0.5
96.96008	0.6
99.00867	0.4
99.08190	0.7
105.03432	0.8
107.05042	0.7
107.06143	0.6
108.04546	1.0
109.02934	1.2
109.06588	0.5
119.04959	0.3
121.02937	1.1
123.00871	2.7
123.04506	0.7
125.02435	0.6
125.07186	3.2
126.90496	0.5
134.91725	0.3
135.04538	0.5
137.02444	4.2
137.06094	0.4
137.09720	0.4
138.05620	0.3
138.09180	0.3
143.08226	2.0
145.08788	0.3
149.02426	2.6
150.03156	0.4
151.00388	0.8
151.03928	0.8
152.01086	0.6
153.01903	0.5
154.12350	0.7
163.04012	0.4
163.11282	0.4
164.04736	1.5
165.01930	1.9
166.12262	0.4
167.03462	0.6
173.04434	0.3
176.03903	0.4
177.01921	3.3
178.83432	0.9
179.03505	0.4
180.04269	1.8
181.05017	0.7
181.08586	0.3
181.12325	0.4
182.04329	0.3
192.04248	2.0
195.02965	7.0
195.06638	1.4
207.06589	1.3
207.10255	0.8
207.12973	0.3
207.13486	0.2
207.14989	10.0
210.05316	10.4
211.05655	0.4
224.90562	0.9
225.00423	1.3
225.04114	1.9
225.07623	7.4
225.16064	100.0
225.92738	0.5
226.16417	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	227.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
59.01374	1.3
59.98515	0.4
67.01890	0.4
68.99837	0.4
71.01384	0.5
71.05005	0.6
71.51054	0.5
72.99282	0.6
79.54951	0.3
79.95809	0.4
80.02688	1.6
81.03459	1.0
83.05025	3.4
83.57050	0.3
84.02161	2.0
86.00065	0.4
93.03459	4.4
95.01394	0.7
95.05020	0.8
97.06592	0.4
99.92615	0.7
101.02460	0.3
107.04971	0.5
111.08173	0.5
112.98776	0.5
121.02950	8.5
125.06106	0.6
131.01402	0.6
135.04549	1.7
135.08183	0.5
136.05316	0.4
137.02449	2.2
139.04010	36.9
140.04314	0.7
148.01662	49.1
149.02051	1.2
150.03207	3.0
163.04022	4.4
163.11295	3.5
165.01923	45.0
165.12837	2.8
166.02266	0.7
180.04274	100.0
181.04584	2.3
181.12299	0.7
183.10246	0.9
183.13853	3.0
191.10793	1.0
191.66689	0.4
195.06647	4.7
197.08179	1.5
199.13264	0.6
208.93471	0.4
209.11810	55.7
209.75450	0.4
210.12148	1.8
227.03526	1.7
227.07420	0.6
227.09247	17.3
227.12727	4.6
227.16400	0.6
227.20096	2.3
228.09541	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26344	0.4
59.01361	1.0
67.06372	0.4
71.05035	0.6
71.11772	0.8
80.02670	1.7
81.03454	1.6
83.01368	0.5
83.05028	5.6
84.02174	2.1
95.05006	0.9
109.06615	0.6
125.06088	0.6
127.14276	0.4
135.08109	0.8
141.12819	0.5
163.11276	4.9
165.12852	3.9
169.12347	0.8
181.12338	1.1
183.13864	0.5
191.10745	1.0
199.13403	5.1
209.11826	100.0
210.12152	4.1
227.12895	6.5
228.13197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.80515	0.7
52.18407	0.6
69.15742	5.1
81.03427	0.8
83.05023	1.2
84.02206	0.7
88.47372	0.7
98.19910	1.0
99.92573	0.7
110.80656	0.6
137.96400	0.7
147.12993	0.6
154.55319	0.6
163.11282	1.2
165.12845	20.2
166.13187	0.8
183.13890	100.0
184.14404	2.9
191.10789	0.7
199.13441	1.4
209.11835	27.1
209.13818	1.5
210.12202	1.6
227.12881	25.7
227.16368	1.0
227.20107	0.9
228.13229	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
52.98140	0.2
59.01351	0.3
61.14788	0.2
70.33592	0.6
70.33939	0.3
71.05006	0.4
72.32228	0.2
73.46905	0.2
77.79428	0.2
80.02687	2.0
81.03454	1.2
83.01403	0.3
83.05025	6.3
84.02171	2.9
93.03448	0.3
95.05036	0.7
98.20624	0.2
109.06593	0.4
125.06094	1.0
125.09689	0.3
126.47697	0.2
127.11313	0.2
135.08150	0.6
163.11276	5.3
164.11597	0.2
165.12831	3.6
181.12381	0.8
191.10794	1.6
199.13200	0.2
209.11818	100.0
210.12148	3.7
227.12865	3.6
228.13129	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61734	0.3
60.15705	0.3
70.00446	1.5
71.05010	0.5
80.02663	2.1
81.03457	1.7
83.01396	0.4
83.05024	6.2
84.02167	3.5
88.77447	0.3
95.05024	1.1
98.19966	0.4
113.18797	0.3
125.06104	0.6
132.93005	0.3
135.08154	0.9
147.11710	0.4
151.48947	0.3
163.11284	5.4
164.11600	0.4
165.12840	3.4
181.12424	0.8
186.42575	0.3
191.10742	1.0
199.13264	0.3
209.11806	100.0
210.12132	3.8
227.12917	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	227.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23116	0.6
53.05490	0.6
57.03429	1.1
58.00583	2.1
59.01382	6.5
70.37252	2.2
70.37617	0.9
71.01374	0.9
71.05029	0.6
73.02892	0.7
80.02657	2.4
81.03452	1.1
83.01366	1.0
83.05024	7.6
84.02150	3.5
95.04996	1.1
97.06528	0.7
109.06590	1.0
111.87963	0.6
117.89808	0.5
125.09694	0.8
139.00360	0.7
139.11258	1.6
141.12843	5.5
141.43192	0.7
153.12871	0.7
163.11302	4.9
165.12822	6.3
167.10724	1.2
169.12338	10.7
171.13884	2.5
175.48917	0.6
181.12288	2.3
183.13870	5.3
185.11865	0.7
188.96280	0.7
191.10643	1.4
199.13394	37.8
200.13666	1.1
202.89728	0.6
209.11819	100.0
210.12167	3.8
217.20276	0.7
227.03517	1.3
227.12877	21.5
227.20128	2.6
228.13243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0514
Annotation	4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde
Peak:m/z	Relative Intensity
50.59682	1.1
51.26413	1.1
57.03457	1.4
59.01363	3.4
61.98811	2.0
66.03492	1.1
69.64552	1.1
71.01376	1.8
71.27864	1.1
71.50542	1.4
72.99303	1.3
74.75594	1.2
80.00031	1.1
80.05042	4.3
85.02950	1.4
92.05039	6.5
94.06627	19.8
97.06618	2.3
99.92528	3.2
107.03759	5.2
108.04532	5.2
110.06094	1.4
111.00883	1.5
112.98765	2.0
115.00368	2.0
115.42577	1.1
115.88456	1.1
120.04551	3.6
122.06126	100.0
123.04484	1.8
123.06425	2.1
138.05589	5.3
140.07138	4.6
140.08086	1.2
166.05098	63.2
166.13263	1.4
166.30904	1.2
167.05418	1.8
168.06572	1.4
184.06155	11.4
205.61188	1.3
210.04044	4.9
210.12065	1.7
228.05161	32.2
228.09444	3.8
228.20461	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	229.1443
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
57.03441	0.6
69.03436	0.4
71.01409	0.4
71.05010	0.5
71.51409	0.6
72.51955	0.4
83.05019	0.5
95.05013	0.4
101.51782	0.4
105.71606	0.5
124.39157	0.3
125.09702	2.0
127.11272	3.3
147.00340	0.4
155.14429	0.7
165.12756	0.4
167.14442	2.4
171.10284	3.8
183.13843	1.3
193.12227	0.9
201.11357	0.5
209.11879	2.4
211.13402	8.8
212.13837	0.4
229.14429	100.0
230.14801	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	229.1443
Annotation	6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
Peak:m/z	Relative Intensity
50.06550	0.3
55.59274	0.4
59.01378	55.2
60.01727	0.4
61.98823	0.3
66.64004	0.3
70.71032	0.4
70.71367	0.8
81.86653	0.3
94.28847	0.3
95.01396	0.3
99.92606	2.0
109.18195	0.3
129.94981	0.4
134.43405	0.3
139.01642	0.4
139.11296	0.8
141.12852	29.5
142.13197	0.8
153.12833	1.2
169.12331	21.1
170.12706	0.4
185.11852	0.5
187.13382	100.0
188.13731	2.8
197.11737	1.8
201.14059	0.4
215.12868	0.8
229.04893	0.7
229.08633	1.2
229.14369	2.6
229.18056	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81160	0.6
59.01381	24.3
64.25701	0.6
69.03441	0.6
71.01391	2.4
71.05018	1.2
71.50393	1.1
72.99313	1.2
73.02943	1.7
87.92518	2.8
94.75147	0.8
97.02908	0.8
97.06590	2.0
99.08179	1.7
109.06583	8.0
125.06091	2.2
125.09750	1.1
127.07652	100.0
128.07997	2.8
143.01677	0.8
143.07150	13.2
146.08221	2.9
169.08723	0.8
171.06636	19.9
187.03998	0.9
187.09689	1.5
189.07683	73.9
190.08076	1.5
231.03059	1.5
231.06602	2.3
231.08688	10.4
231.12384	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	231.1025
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
59.01373	0.8
69.03444	0.5
71.11735	0.4
74.93708	0.2
85.02969	0.2
98.19843	0.2
125.06151	0.2
130.04268	0.8
134.03738	0.4
145.08713	0.3
146.03726	0.5
148.92047	0.2
149.06058	0.3
151.07622	0.7
158.03728	2.5
159.04498	2.5
159.08122	0.7
169.12415	0.3
172.05290	11.0
173.06076	4.5
174.03221	0.2
174.06876	0.3
175.07655	0.3
183.04538	0.4
185.06087	0.3
185.11795	0.5
187.04173	3.6
187.07637	100.0
188.04826	0.2
188.08009	4.6
201.03642	0.4
201.05559	11.3
202.06343	22.3
203.06801	1.1
203.10751	0.6
204.04282	2.1
213.09212	1.5
213.11086	0.3
216.07921	0.6
230.71939	0.2
231.10249	30.8
232.10567	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	231.1025
Annotation	Lacinilene D
Peak:m/z	Relative Intensity
52.83468	0.4
56.98382	0.4
59.01381	2.8
59.10009	0.4
68.41352	0.4
69.47324	2.6
87.92499	0.8
94.79491	0.4
96.96027	0.8
98.20676	0.8
131.05020	2.5
134.03723	1.6
141.03426	0.6
141.64400	0.4
146.03699	1.3
159.04501	7.5
161.02422	0.7
172.05315	3.3
174.03207	44.7
175.03650	2.3
183.04500	1.0
184.05273	0.6
185.06024	0.8
185.09711	0.8
185.11758	0.5
187.03996	10.5
187.07628	1.5
188.04488	0.5
196.05309	1.5
197.06059	25.6
198.06827	7.2
202.06375	0.5
211.07596	0.9
213.09198	100.0
214.09561	4.2
231.10242	80.3
231.16016	1.9
231.17830	1.3
232.10619	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	231.1235
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
51.19281	0.5
59.01377	34.2
69.17346	5.2
71.01402	0.7
75.00858	1.1
87.92488	0.5
93.65123	0.5
97.06600	0.7
98.20612	1.2
115.32009	0.5
125.06077	1.3
125.09746	1.2
127.11246	1.4
134.03746	0.8
151.11278	3.7
152.03516	1.5
153.09253	0.7
169.12332	31.1
170.12688	0.8
171.10263	100.0
172.10570	2.8
185.11818	1.3
187.07666	1.3
213.09314	0.9
213.11307	11.7
231.12363	67.6
232.12766	2.1
233.09024	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.8947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43336	0.3
59.01374	3.4
71.01383	1.7
71.18807	0.3
71.49989	0.3
73.02935	0.6
75.99464	0.4
82.02946	0.3
82.67231	0.3
85.02956	0.5
87.00884	0.4
87.92527	100.0
88.92566	0.7
99.00858	0.6
101.02459	0.5
103.92027	25.7
104.92796	3.5
105.93587	12.9
111.00900	0.5
111.41999	0.3
115.00372	0.4
116.07189	0.6
118.05051	0.4
119.91524	2.5
123.94638	11.6
124.87525	0.3
128.72379	0.3
129.01909	0.5
134.45503	0.3
145.01421	0.8
152.04361	0.3
159.89362	1.7
160.89265	0.6
160.91795	1.1
172.02527	1.8
173.04532	0.7
177.92047	1.4
187.10924	0.4
187.90491	5.2
215.09151	0.3
231.13515	0.4
231.89346	0.7
233.04597	0.5
233.10312	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	233.0818
Annotation	Bhimanone
Peak:m/z	Relative Intensity
53.62294	0.4
55.41347	0.3
57.03439	0.4
59.01377	25.5
60.99302	0.4
67.01884	1.0
68.99811	0.5
69.03438	0.4
71.01390	1.1
79.95736	0.4
80.20251	0.4
83.01370	0.6
93.03452	5.3
96.96009	1.8
108.02170	0.4
109.02964	0.8
110.87293	0.3
111.00940	0.4
111.04498	0.6
119.05019	0.4
131.05025	0.5
133.02962	0.9
134.03757	0.6
135.04530	0.4
136.01671	0.6
137.56834	0.4
143.05025	0.9
144.87292	0.3
145.02963	0.4
146.03712	0.8
147.04509	2.9
148.05283	0.6
149.06058	3.0
152.01077	0.4
154.04282	0.4
159.04515	8.0
159.08102	0.4
161.02431	31.6
161.06070	1.5
162.02969	1.1
163.07642	0.6
169.06616	2.2
171.04485	3.5
172.05292	29.8
173.04535	5.6
173.06009	3.6
174.03236	3.5
175.03992	64.9
176.04750	6.5
177.05585	2.7
177.09164	0.5
185.06052	3.9
186.03246	0.8
186.06827	2.2
187.04002	1.3
187.07634	33.2
188.07982	0.6
188.98492	0.8
189.05556	10.6
189.09192	1.3
190.06061	0.8
191.03476	0.4
197.06044	1.4
200.04779	11.2
201.05244	0.5
203.03516	3.0
203.07161	0.9
204.04243	6.0
204.07861	1.2
205.04733	0.6
205.08672	10.8
206.09097	0.6
208.03789	3.0
213.05493	0.5
215.07111	76.7
216.07452	3.4
218.05707	0.8
231.06564	1.9
232.03793	1.9
232.57901	4.0
233.08171	100.0
233.15431	21.2
233.57750	0.7
234.08490	4.4
234.15613	0.5
248.08960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.103
Annotation	ascr#11
Peak:m/z	Relative Intensity
51.05140	0.4
51.77888	0.4
59.01379	14.6
69.73162	2.5
71.01382	4.4
72.99304	4.6
83.24410	0.5
87.00895	0.6
88.04043	1.5
89.04365	0.6
93.03442	1.9
97.06580	3.9
97.66755	0.5
99.00880	1.5
99.08147	1.6
109.93784	0.5
112.79861	0.5
125.06059	2.3
125.09696	4.5
135.08148	1.4
141.09210	1.5
143.07133	23.6
151.07623	1.2
153.09209	13.7
155.07166	0.6
169.08696	13.3
171.10280	6.1
173.04561	2.3
173.08130	3.8
179.07152	1.0
195.74704	0.5
197.08224	2.7
214.83360	0.5
215.09229	54.1
216.09514	1.5
225.35216	0.5
233.10289	100.0
234.10574	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	233.103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.9
65.23969	0.5
69.71633	1.9
69.72050	0.7
71.01382	3.9
72.99310	4.6
88.52362	0.4
90.85745	0.4
93.03471	0.6
97.06595	3.2
99.00890	0.8
99.08163	1.5
123.89487	0.5
125.06103	2.5
125.09709	3.9
135.08160	1.7
141.09245	1.5
143.07140	27.2
144.07474	0.7
151.07626	0.6
153.09218	11.7
169.08708	12.8
170.09058	0.5
171.10271	4.3
173.04535	1.0
179.07137	1.4
197.08176	3.1
213.07535	0.6
215.09238	54.3
216.09616	2.2
220.59065	0.4
233.10297	100.0
233.15327	2.0
234.10609	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	233.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.9
59.96720	0.4
60.97503	0.4
71.09131	0.3
71.09456	0.3
74.99065	6.4
75.96201	0.4
84.19501	0.2
91.02214	0.7
93.00141	1.6
93.03451	1.1
118.96246	1.3
134.99400	6.5
136.97316	1.6
141.07420	0.3
143.05280	1.3
149.00951	64.9
150.00894	2.1
150.98880	0.6
152.13931	0.2
159.08459	1.7
161.06390	2.9
167.01988	0.3
173.04520	1.1
181.48050	0.2
201.03889	0.2
215.05574	1.2
215.09235	0.3
217.07190	89.3
218.07323	4.8
233.10318	100.0
234.10484	5.7
235.08273	0.3
248.70988	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82907	1.0
54.60638	0.9
57.03446	97.9
58.03777	1.8
59.01377	93.1
61.98825	5.8
71.01369	3.4
71.49646	1.8
72.99290	1.1
73.02952	1.3
73.49405	0.9
75.00865	2.9
81.03428	2.5
87.00858	1.4
87.04457	1.0
89.02436	1.4
91.04013	5.2
91.04493	1.0
95.48299	1.1
98.20129	1.0
99.00848	2.9
99.04514	100.0
100.04848	1.4
101.02435	17.0
108.04559	5.4
113.02516	1.0
115.00356	1.7
125.02450	5.8
143.03430	1.3
145.08720	1.4
162.89395	2.6
173.08113	6.7
235.06149	1.7
235.08182	5.7
235.11810	3.1
236.05522	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	236.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60087	0.1
59.01384	0.3
61.63916	0.2
61.98826	0.7
69.95065	0.8
72.36529	0.2
94.67966	0.1
98.19982	0.2
129.50227	0.2
134.03735	0.5
135.04538	0.2
136.05278	0.2
148.05299	7.0
149.05991	0.2
149.09749	0.9
159.08150	0.2
162.06850	0.4
175.07675	0.4
176.08427	0.6
176.25230	0.2
177.09196	35.9
178.09564	1.3
179.83183	0.2
190.09985	1.5
191.10732	0.7
192.11546	29.5
193.11986	1.1
201.09206	0.7
203.07129	0.5
206.09459	0.3
217.08684	2.9
218.09464	6.9
219.09744	0.4
222.14696	0.2
236.10513	100.0
237.10898	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	237.1495
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
57.03450	16.1
59.01377	5.1
61.98830	2.7
69.03429	0.5
69.45985	3.8
70.09513	0.4
71.01371	0.9
73.02935	0.9
81.27448	0.5
83.05017	2.3
85.06589	0.7
87.99049	0.5
93.03413	0.6
93.43768	0.5
98.20618	1.2
109.06564	0.9
149.09694	1.1
152.32523	0.5
167.10776	1.9
179.10789	3.5
193.15961	2.7
195.13905	4.1
209.15533	0.6
219.13831	1.2
237.14948	100.0
238.15327	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1287
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
59.01373	4.3
70.04316	0.9
70.04673	1.8
71.64398	0.5
72.53982	0.5
87.00843	0.6
88.73483	0.5
95.05008	0.9
101.06081	8.6
109.06606	4.5
111.08155	5.8
125.09760	0.6
126.60989	0.6
138.06888	0.8
139.04007	11.7
154.06351	30.5
155.06667	1.1
155.57259	0.5
161.04527	0.9
167.14391	9.7
179.05605	3.5
179.10753	5.4
180.11377	0.7
182.05858	3.0
195.13889	100.0
196.14191	3.9
239.12866	9.8
249.03285	0.6
259.31943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2015
Annotation	10Z-pentadecenoic acid
Peak:m/z	Relative Intensity
59.01107	0.6
59.01379	7.6
70.58422	0.4
70.58757	0.8
71.01370	0.6
124.34021	0.4
152.85808	0.4
158.33768	0.4
179.05550	2.5
199.18912	0.4
217.43379	0.4
221.19136	1.0
225.97829	0.4
239.06729	1.0
239.20145	100.0
240.20456	5.0
242.58508	0.5
248.40497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78040	5.5
54.59732	5.1
57.03432	15.7
59.01373	28.4
60.99304	8.0
61.98830	96.0
71.01387	43.7
72.99316	13.1
73.02927	8.0
75.00862	13.1
78.95908	69.9
80.93237	18.1
83.01398	12.8
85.02950	17.7
87.00841	10.6
88.98774	10.1
96.96960	36.2
96.99335	6.2
99.00865	47.4
101.02481	6.5
104.76521	6.0
111.00912	30.5
112.98812	100.0
115.00381	16.7
124.98764	8.5
126.01945	6.7
129.01939	42.2
131.26321	5.3
142.99854	80.5
145.01398	19.2
146.88635	6.0
161.21237	5.8
166.46181	5.3
168.91208	15.4
173.00902	84.5
178.99844	8.6
191.01920	10.4
198.23520	5.6
205.03523	54.2
208.98538	18.4
241.01259	45.2
256.30588	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	241.012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78040	5.5
54.59732	5.1
57.03432	15.7
59.01373	28.4
60.99304	8.0
61.98830	96.0
71.01387	43.7
72.99316	13.1
73.02927	8.0
75.00862	13.1
78.95908	69.9
80.93237	18.1
83.01398	12.8
85.02950	17.7
87.00841	10.6
88.98774	10.1
96.96960	36.2
96.99335	6.2
99.00865	47.4
101.02481	6.5
104.76521	6.0
111.00912	30.5
112.98812	100.0
115.00381	16.7
124.98764	8.5
126.01945	6.7
129.01939	42.2
131.26321	5.3
142.99854	80.5
145.01398	19.2
146.88635	6.0
161.21237	5.8
166.46181	5.3
168.91208	15.4
173.00902	84.5
178.99844	8.6
191.01920	10.4
198.23520	5.6
205.03523	54.2
208.98538	18.4
241.01259	45.2
256.30588	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
59.01382	0.8
61.98836	0.7
71.01380	1.4
71.28262	1.4
73.02949	1.3
79.95753	0.9
81.95298	0.7
96.96011	2.5
98.78260	0.6
104.15185	0.7
126.02351	0.6
151.11296	1.2
153.09201	0.8
155.10748	0.8
161.09703	0.8
169.12332	100.0
170.12685	3.8
179.10822	0.9
183.10330	0.7
197.11819	21.9
223.09769	1.7
240.57648	9.7
241.07516	4.6
241.10805	45.2
241.57608	0.7
242.11147	1.5
252.15962	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11893	0.3
52.51461	0.4
54.40565	0.4
59.01376	3.0
61.98824	3.0
69.94241	1.1
69.94637	0.6
71.30898	0.5
73.02971	0.5
87.00882	1.5
92.17326	0.5
95.54615	0.4
151.11238	1.5
168.63960	0.4
169.12337	100.0
170.12679	3.6
174.93594	0.5
179.10661	0.7
197.11827	25.3
198.06734	1.1
198.12163	0.7
213.11292	0.8
223.09798	0.7
240.57607	2.0
241.07216	5.9
241.10806	46.4
241.14638	1.2
241.21815	1.1
241.57343	0.6
242.11156	2.6
256.15967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09020	0.5
59.01379	1.5
60.28849	0.6
61.98828	3.2
70.89663	1.1
103.92019	0.5
125.09739	0.5
142.89006	0.5
151.11281	1.7
151.97429	0.5
169.12334	100.0
169.59862	0.5
169.78810	0.5
170.12685	3.5
197.11819	27.3
198.12167	1.0
213.36592	0.6
223.09741	0.6
240.57661	2.3
241.07356	2.5
241.10805	46.8
241.14590	1.2
241.21655	1.0
242.11115	2.6
251.91635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54790	0.5
57.03440	1.5
59.01374	2.4
61.98828	5.1
65.08802	0.5
65.52402	0.5
67.79219	0.5
69.03458	2.6
69.19020	5.2
71.01378	0.8
71.05020	3.3
78.01502	0.6
84.85896	0.5
97.06608	0.7
98.20741	0.9
99.56821	0.5
106.63989	0.6
111.04533	0.7
123.08181	1.6
125.09728	1.7
126.31734	0.5
137.09816	0.8
151.11272	0.7
153.12874	3.0
161.09715	0.9
169.12340	1.0
174.98207	0.6
179.10745	5.3
197.11821	100.0
198.12170	4.2
210.04840	0.6
223.09752	8.1
231.76134	0.7
240.57654	1.4
241.05237	1.4
241.10802	62.4
241.14619	1.9
241.21748	1.2
242.11101	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	241.1081
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
51.44864	0.6
54.36543	0.9
56.87672	0.5
57.03458	1.0
69.03449	2.4
71.05022	3.9
71.11558	1.1
83.05053	0.8
83.39582	0.6
83.94575	0.6
93.23914	0.6
94.88989	0.6
97.06566	1.0
102.52788	0.5
125.09727	2.0
151.11246	1.3
153.12799	2.6
161.09724	1.1
174.17592	0.7
179.10788	6.1
180.93089	0.6
197.11818	100.0
198.12128	3.2
223.09750	2.4
240.57530	0.6
241.10802	86.2
242.11118	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Annuionone F
Peak:m/z	Relative Intensity
51.04268	0.5
52.47634	0.5
59.01378	100.0
61.98834	3.1
68.82917	0.5
69.32085	0.6
70.89415	1.4
71.05024	2.4
79.95743	0.8
87.00876	1.1
96.96010	1.1
103.06181	0.5
111.12244	0.5
114.05364	0.7
121.08818	0.5
123.08169	0.8
135.67801	0.5
169.12350	1.5
170.81638	0.5
197.11923	0.9
240.57697	3.3
241.07278	1.1
241.10663	1.0
241.14442	40.6
242.14828	1.4
248.93210	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.9
61.98827	100.0
65.21091	0.8
66.03501	0.9
70.85473	0.7
71.19606	0.8
71.51135	1.3
72.41813	0.7
81.77612	0.8
83.05040	0.8
88.73331	0.7
130.08743	1.3
135.04506	13.3
179.03481	12.1
199.18155	1.0
201.11205	0.7
241.21832	0.9
243.12509	0.8
243.17146	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	242.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46616	0.6
57.94215	0.7
61.98828	100.0
68.56356	0.6
69.61699	3.1
80.99452	0.8
133.35110	0.7
147.97943	0.7
195.84355	0.7
245.12271	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79487	0.6
52.87547	0.6
59.01379	1.2
61.98829	100.0
63.66520	0.6
70.53983	1.9
71.01372	0.8
72.99311	0.7
78.95923	1.6
82.67650	0.6
82.92970	0.7
83.01405	0.6
87.00876	15.9
93.03468	0.8
110.02516	1.5
111.04595	1.3
129.01932	0.9
130.02359	0.7
145.01396	1.0
169.53242	0.7
170.90921	0.9
200.05591	0.7
243.06306	0.9
256.62268	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56806	0.4
50.85749	0.4
50.99468	0.4
52.41950	0.4
52.90673	0.4
59.01375	2.4
61.98832	14.3
66.03474	1.1
66.20626	0.5
67.01890	0.6
70.70231	0.9
72.42323	0.5
74.99072	1.1
76.98743	0.8
82.06629	2.3
85.06599	0.8
91.02201	0.8
93.01897	0.6
97.06592	0.5
97.93110	0.6
100.07686	1.4
101.06120	0.6
103.92024	1.1
110.02499	0.6
111.00889	0.7
116.22473	0.4
123.08153	0.6
125.09733	4.5
127.11351	0.5
128.10756	0.6
139.83989	0.4
144.75571	0.4
170.15508	11.8
170.16974	0.6
181.12305	0.5
181.16055	0.4
197.92424	0.5
198.14986	100.0
199.15353	4.4
201.11353	2.5
209.99481	0.6
213.91608	0.5
215.12706	1.0
225.02583	1.7
225.11351	1.4
225.15004	1.0
226.02626	13.7
227.02228	2.0
237.84973	0.4
241.99724	0.5
242.14018	4.2
242.17628	2.2
243.12283	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0621
Annotation	Uridine
Peak:m/z	Relative Intensity
57.03424	0.7
59.01368	1.8
61.98836	0.4
62.17004	0.4
66.03484	14.0
68.01411	2.3
70.88972	0.8
71.01370	2.6
75.88526	0.4
81.02225	0.4
82.02982	28.4
82.92859	0.5
83.01388	1.9
83.02183	0.4
83.03321	0.5
87.00841	0.7
89.02436	0.7
89.63857	0.4
94.02980	2.4
95.01373	0.5
96.04544	2.1
98.02457	0.8
99.00903	1.4
108.04574	3.0
110.02475	100.0
111.02000	7.0
111.02814	1.5
112.98803	1.8
115.00356	0.7
117.01933	1.2
120.04515	0.5
121.74545	0.4
122.02489	8.1
124.04059	3.1
126.05614	0.6
129.01898	0.8
132.02946	0.8
138.01965	0.8
138.05669	0.6
140.03540	9.7
142.99861	1.5
152.03529	17.4
153.03044	10.0
164.03455	0.5
168.58495	0.5
173.00891	1.3
182.04640	1.1
183.79013	0.4
200.05634	39.8
201.05966	0.9
236.48140	0.4
243.06206	34.7
244.06505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30628	0.7
55.01855	1.3
57.03459	0.8
57.03801	0.7
59.01371	0.9
62.15178	0.7
69.22966	0.7
69.34544	5.9
71.05007	3.7
73.02943	1.2
74.45464	0.8
83.05036	1.0
97.02945	6.3
97.06591	1.5
99.00275	1.2
99.00884	19.8
105.14254	0.7
109.06598	2.0
110.03715	2.4
116.89381	0.8
125.09705	7.6
127.11250	1.3
136.05249	1.6
142.02664	1.8
153.12868	1.5
155.14461	2.4
163.11304	8.3
179.10828	0.9
181.12341	24.0
182.12634	0.9
197.11813	0.8
199.13399	18.2
199.15001	0.6
207.10249	44.3
208.10600	2.4
225.11310	86.9
226.11606	2.7
237.93599	0.7
243.12358	100.0
244.12677	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.0
59.01377	37.5
60.72757	0.9
70.68815	2.9
73.02946	2.3
73.44143	0.8
97.02975	1.4
99.00879	2.6
99.28327	0.9
104.52315	0.8
125.09704	1.8
129.05626	1.5
139.11298	25.1
161.83359	0.9
163.11255	2.5
165.09161	1.3
167.21365	1.1
181.12334	21.8
183.10266	32.2
184.10558	1.4
199.13402	25.0
200.13646	1.2
207.10257	9.7
225.11316	27.4
225.14850	1.1
225.17274	1.1
226.11676	1.2
243.12363	100.0
244.12679	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	243.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94856	0.4
59.01368	1.5
61.98822	1.2
71.05011	2.9
71.51459	1.0
83.05023	1.1
97.02940	3.4
97.06583	1.2
99.00876	14.0
99.92603	0.7
109.06586	1.2
110.03748	0.8
123.82152	0.4
125.09720	4.6
125.62217	0.5
136.05319	0.7
142.02753	0.5
155.14427	1.3
161.09702	0.9
163.11284	5.6
171.10294	1.8
181.12347	16.0
182.12628	0.6
197.11838	1.2
199.09888	0.6
199.13393	12.1
207.10251	33.0
208.10635	0.9
215.12964	1.1
225.11307	59.9
226.11621	2.0
243.12349	100.0
244.12665	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	245.0929
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
58.02715	1.3
58.02972	20.5
69.57909	4.9
70.02976	17.2
72.00923	4.8
72.04536	3.7
74.02470	89.8
88.56336	0.8
90.16697	0.7
98.02477	24.1
116.02695	1.6
116.03544	28.6
116.05054	34.9
118.86047	0.8
130.06598	3.1
142.06615	7.0
159.09248	6.1
183.09251	2.5
186.05606	1.0
201.10049	8.2
203.08252	90.2
204.08575	2.8
209.11804	3.6
245.09288	100.0
246.09642	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	245.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13493	0.8
52.10753	0.8
53.46250	0.7
58.02975	21.4
60.74514	0.8
69.57374	1.2
69.57780	3.5
70.02975	17.2
72.00906	4.5
72.04542	4.1
74.02473	95.6
74.96210	0.7
95.97797	0.7
98.02474	22.2
108.66801	1.0
116.03548	29.0
116.05059	35.6
116.88190	0.8
130.06639	3.7
142.06621	8.2
156.04500	0.9
156.08223	1.3
159.09247	6.6
171.10255	1.4
178.11348	1.0
183.09274	1.8
186.05580	2.2
201.10313	5.8
201.11646	1.6
203.08253	87.6
204.08553	3.4
209.11832	3.6
216.31966	0.8
245.09293	100.0
246.09660	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	245.103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59258	1.2
57.03429	1.5
58.00600	6.1
59.01378	21.5
61.98800	1.4
65.38435	1.0
69.08983	1.1
71.01379	12.5
71.21352	1.3
71.21690	1.5
72.02156	2.5
72.99294	2.9
73.02940	3.4
74.02454	1.8
74.07946	1.0
75.00867	2.1
78.95902	2.3
79.43596	1.0
81.07091	1.8
84.02151	1.5
85.02946	8.2
85.06586	3.1
87.00873	17.1
89.02438	7.4
95.05022	3.3
96.96995	1.3
97.06596	13.5
99.08150	7.6
100.88318	1.2
101.02424	3.5
105.01913	2.6
107.04986	1.7
108.02157	1.9
109.06573	4.2
111.08141	1.4
112.01707	1.7
113.03577	3.2
116.92866	1.8
117.01949	1.8
125.06088	4.0
127.07652	100.0
128.03665	1.1
128.73453	1.1
129.01947	5.6
129.09325	5.4
129.10341	4.7
130.08736	26.5
137.06082	7.4
139.07651	10.6
140.07166	3.3
140.10840	1.6
141.09193	3.9
141.10318	3.1
147.03000	2.3
153.09241	1.3
155.07133	38.6
156.07420	1.4
157.08655	3.3
161.03410	1.1
162.73914	1.3
166.08635	1.5
167.07080	4.2
181.08676	1.5
183.10162	3.8
183.11391	4.8
185.08154	6.3
201.11253	1.9
210.07693	2.8
210.33875	1.3
215.10342	3.5
227.10365	8.9
245.04417	1.8
245.10098	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	2.0
60.03046	0.7
70.25767	2.9
71.05034	0.7
80.02663	1.7
81.03454	1.8
83.05029	5.1
84.02176	2.0
86.35980	0.8
97.06580	0.7
104.67658	0.7
109.01311	0.8
125.06084	1.6
125.09715	3.1
127.11297	7.1
135.08174	1.4
137.09709	0.9
139.11316	1.1
155.10748	2.4
163.11218	3.9
165.09183	2.9
165.12866	2.3
171.10284	2.6
199.09747	1.9
201.11320	90.6
202.11621	3.6
203.12704	1.1
209.11824	100.0
210.12183	4.6
227.12889	17.7
245.13960	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93181	0.6
54.53988	0.5
57.03456	0.8
58.00620	1.2
62.52001	0.6
65.74886	0.6
69.38654	4.5
74.43309	0.6
76.59229	0.6
77.70137	0.5
80.02692	1.3
81.03462	0.8
83.05037	4.5
84.02192	1.3
91.81018	0.5
110.28149	0.7
118.52922	0.6
125.09726	3.9
127.11301	6.8
137.09724	0.8
153.09296	0.6
155.10776	2.0
163.11282	3.2
165.09207	2.6
165.12869	2.2
171.10246	2.8
183.10291	1.1
191.10837	1.3
199.09688	1.9
201.11314	100.0
202.11670	3.7
209.11816	85.2
210.12163	3.6
227.10767	1.1
227.12892	14.2
228.13200	0.7
245.13943	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14473	2.1
55.34074	1.9
56.01458	2.0
57.03460	3.1
58.57602	2.2
59.01377	79.0
69.52827	5.0
69.53235	9.6
71.01378	38.5
71.05030	3.8
73.02940	3.3
85.02942	3.2
89.02450	2.7
90.97160	2.8
97.06577	5.5
99.04511	8.6
99.08165	3.9
101.02390	2.8
103.00361	12.6
103.04012	13.6
115.04026	10.9
117.05564	6.0
121.02948	2.3
143.07179	4.1
157.05003	5.3
159.06662	5.1
161.08194	100.0
170.18456	2.2
174.99286	3.6
175.03999	2.7
185.11807	3.7
186.95598	10.5
187.09753	9.7
203.09224	2.3
219.06586	2.4
224.07059	1.9
247.02695	2.4
247.06319	4.2
247.11758	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	247.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	92.4
60.32520	2.3
62.68489	2.3
63.88745	3.2
71.01385	18.0
71.05000	4.7
71.50858	2.9
79.19537	2.3
87.04503	3.6
99.04526	12.5
99.08128	5.3
103.00356	11.1
103.04000	7.7
115.03985	10.2
117.05586	5.1
143.07060	6.0
147.04442	3.7
157.05115	3.2
161.08195	100.0
169.08678	3.3
173.06015	3.3
174.03140	9.6
175.03947	4.2
186.95598	4.4
187.09746	8.5
203.03484	3.3
229.08772	3.4
243.03641	2.7
247.02437	3.1
247.06195	10.5
247.09653	5.5
247.11823	9.8
247.15558	7.0
248.00395	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	247.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	67.0
70.99850	4.2
71.01391	14.8
71.01778	1.8
71.05024	4.7
75.00868	4.7
87.90508	1.9
92.60942	2.1
96.96065	3.7
99.04534	11.4
99.08163	3.2
102.06069	2.2
102.99818	1.9
103.00372	12.8
103.04015	6.3
110.80748	2.1
115.03984	9.5
117.05573	7.3
132.70987	2.1
157.04965	2.5
161.08199	100.0
174.03168	6.0
189.05458	2.3
203.09047	2.7
229.08676	5.3
247.06390	8.3
247.09682	2.9
247.11823	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	249.1495
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
57.03443	1.0
59.01377	10.6
60.14739	0.7
61.98823	1.8
66.19080	0.8
69.03456	32.0
69.53793	5.5
71.01391	1.1
83.05016	3.0
93.03438	0.8
95.05017	3.4
97.06590	2.8
97.95599	0.8
106.04199	1.4
107.08669	1.0
109.06606	1.1
111.08160	2.5
119.05077	1.5
121.06593	1.1
134.07364	3.0
135.92268	0.8
141.09201	0.9
149.13295	2.0
151.11214	1.2
161.13383	1.8
167.10768	4.1
168.68501	0.9
177.16336	1.0
179.10783	1.5
181.83575	0.8
187.14890	4.0
193.12346	6.7
203.14320	1.3
204.04224	2.9
205.12337	8.1
205.15956	10.5
213.12796	1.0
219.06570	1.0
221.15466	16.0
231.13892	32.8
232.14198	1.4
248.97343	1.0
249.14948	100.0
250.15112	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	249.1857
Annotation	roughanic acid
Peak:m/z	Relative Intensity
59.01382	4.5
70.58896	1.4
87.00755	0.6
87.53947	0.6
115.73994	0.7
123.35348	0.6
147.67657	0.6
161.02332	0.9
177.01971	0.8
204.04294	1.5
205.01424	0.8
205.15955	6.8
205.19460	1.7
219.06601	1.4
231.17639	0.9
248.97121	1.3
249.14970	11.8
249.18568	100.0
250.14478	16.1
250.18784	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01375	2.5
71.24904	0.4
75.33148	0.3
83.05022	0.6
85.21507	0.3
220.24973	0.4
233.19032	1.2
251.20137	100.0
252.20474	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2171
Annotation	Delta2-cis-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01378	5.3
60.17437	0.4
62.38026	0.4
63.78290	0.3
71.28754	0.6
71.29105	0.8
137.77071	0.4
193.07170	0.8
253.21701	100.0
254.22079	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	253.2172
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01379	39.9
69.15168	57.1
69.15578	21.4
69.44585	7.3
73.52101	9.4
98.20654	18.0
158.92174	7.7
253.21722	100.0
253.30209	8.3
254.22075	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	255.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22396	0.5
59.01375	2.5
69.03454	5.3
69.61482	1.9
69.61914	2.1
71.01371	1.7
71.05024	3.4
78.03476	0.5
81.03479	0.9
82.81673	0.6
83.05029	0.8
85.05524	0.6
89.33864	0.6
95.05027	1.5
97.06593	1.6
121.02984	0.7
123.08156	12.0
125.09731	3.4
135.11778	1.3
137.09697	3.3
151.11252	0.7
161.09712	2.6
168.21820	0.7
177.21910	0.6
178.09996	1.4
179.10782	26.7
180.11018	0.8
181.12302	0.9
193.12320	1.8
211.13382	100.0
212.13716	5.0
222.08954	2.6
237.11295	1.2
255.12360	77.6
255.23273	19.2
256.12604	3.5
256.23450	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74748	1.0
59.01375	1.9
61.98830	100.0
69.15662	10.8
83.05060	1.2
85.02972	1.0
85.10726	1.0
98.19858	2.4
102.87099	1.2
135.04494	1.8
161.02411	1.6
170.99197	0.9
193.05113	6.6
201.11298	1.6
233.92389	1.1
239.12843	3.5
255.23248	11.4
256.03677	1.3
256.06232	1.4
256.23615	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.5
59.01379	100.0
60.01711	1.0
60.99304	0.4
69.75420	0.6
69.75835	1.4
87.04520	0.9
95.05044	0.8
101.11908	0.3
116.88325	0.4
125.09718	0.8
139.11310	0.4
163.11261	0.7
181.12288	1.2
183.10191	1.1
193.67311	0.3
195.13853	0.5
207.10309	0.9
225.11224	2.0
241.59065	0.5
257.13934	38.7
257.23950	0.6
258.14331	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	259.0223
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
59.01378	4.5
66.01349	1.8
69.60394	11.8
71.01384	18.3
72.99299	12.7
74.47356	2.1
78.95901	79.9
87.00875	8.4
89.02435	8.3
92.92800	48.8
96.96959	66.9
98.73418	1.8
108.90198	100.0
110.89909	73.6
125.80609	1.8
129.01930	3.0
132.03032	3.0
133.01411	7.9
138.98007	3.9
152.95961	2.3
168.99042	5.5
191.05565	4.6
197.14369	2.2
240.97565	13.8
241.01242	3.5
258.98633	10.2
259.02194	35.6
278.68542	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	259.0223
Annotation	D-Mannose 6-phosphate
Peak:m/z	Relative Intensity
57.03432	6.4
59.01373	8.3
71.01385	22.5
71.50459	5.9
72.99299	2.9
73.02934	4.5
78.95901	100.0
83.01386	9.0
85.02956	10.4
87.00870	8.7
88.98800	4.2
91.07173	3.0
96.96956	88.2
99.00864	20.3
101.02471	3.6
111.00872	24.7
112.98801	46.4
113.02425	3.3
115.00363	7.3
127.00327	3.2
128.03561	3.3
129.01938	11.2
130.08708	10.9
134.99297	2.5
145.01424	4.9
168.98975	3.1
173.00885	13.3
173.98514	3.0
179.03706	3.7
191.01974	5.3
213.05267	2.8
241.01102	4.3
241.11874	4.6
258.99365	5.4
259.02228	44.8
259.12833	6.3
260.57495	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	259.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
60.33900	0.7
69.23300	4.8
69.23711	1.7
73.09826	0.7
77.37036	0.7
108.83549	0.6
138.05630	0.9
151.11302	0.8
155.10698	1.4
169.12337	100.0
170.12668	3.9
171.10258	7.3
201.09045	0.9
209.11823	3.4
213.11255	4.9
217.10834	2.8
231.12357	10.8
257.91461	0.9
259.11847	2.6
259.19196	0.8
262.43506	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	17.2
64.30479	0.7
65.35588	0.8
70.99876	1.6
83.05037	2.3
89.76756	0.7
98.38122	0.7
120.91772	0.8
124.55424	0.7
125.09777	0.8
137.09720	9.7
141.63773	0.7
148.12610	0.9
151.11284	1.8
151.41301	0.7
153.09221	0.8
153.12843	3.5
155.10774	98.7
156.11073	3.4
171.10274	24.2
181.08630	1.6
184.54442	0.7
197.11832	9.1
199.09746	35.6
200.09952	1.5
217.10788	100.0
218.11162	4.8
259.11847	43.9
260.12201	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54438	0.5
54.78819	0.6
60.37495	0.6
69.43468	1.7
69.43895	2.6
80.02670	0.9
81.03481	1.5
83.05028	4.6
84.02147	2.8
85.27015	0.5
95.05048	1.0
106.08022	0.6
119.36357	0.5
160.27003	0.6
163.11288	4.1
165.12823	3.1
167.03198	0.5
191.10779	1.3
194.17433	0.7
209.11810	100.0
210.12206	3.9
227.12871	11.4
257.72586	0.5
267.67267	0.6
276.20273	0.6
280.24078	0.5
281.33453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1341
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
55.01863	1.4
59.01376	36.6
70.80533	1.7
70.80853	1.0
73.02944	76.4
74.02446	0.9
83.29443	0.9
96.96027	1.8
97.06580	1.1
98.20335	0.9
115.39389	0.9
116.03527	1.6
117.01880	1.0
125.09712	3.2
139.11223	1.1
169.08698	2.6
181.12346	1.3
187.09744	31.4
199.13409	9.0
201.11310	44.6
202.11531	1.6
207.01785	0.9
243.12349	15.8
261.13412	100.0
262.13751	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	261.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91426	1.5
58.00595	4.9
59.01379	9.9
65.50921	1.5
69.03432	3.7
69.97329	7.3
70.11507	1.4
71.01382	54.9
73.02946	10.6
81.03439	2.3
83.01383	1.7
83.05032	4.4
84.02168	3.2
90.45998	1.4
90.48475	1.6
95.05016	1.9
97.02945	4.2
97.06573	2.3
98.19933	2.0
109.06582	23.7
117.21259	1.2
117.87598	1.5
121.06602	2.2
123.08199	2.4
125.06064	5.5
125.09727	12.0
127.11279	9.2
135.08186	5.1
135.61989	1.3
137.09697	6.8
141.09111	1.5
142.02686	1.4
143.10767	2.5
150.01099	1.4
151.07672	2.9
153.09201	4.2
155.10773	7.8
163.11275	12.5
171.10265	65.6
172.10532	2.1
180.05641	1.5
181.08780	3.2
181.12350	4.6
199.09750	100.0
200.10045	2.4
201.11272	4.3
207.10266	25.3
217.10710	2.2
225.11328	7.5
261.07770	2.2
261.13449	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	263.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
58.86640	0.4
59.01379	100.0
60.01709	1.1
69.16429	4.4
71.01397	1.7
73.02943	0.7
73.38071	0.5
83.01411	0.5
83.05069	0.7
95.05045	0.6
97.02970	1.9
99.00893	0.7
101.02437	0.7
107.04989	0.6
108.05830	1.1
109.02957	1.3
109.06610	0.8
111.04540	2.2
111.08201	0.5
113.06087	2.3
119.08659	0.7
121.06619	0.7
122.03769	2.2
123.08182	1.5
125.06071	2.3
125.86994	0.6
134.03770	0.8
135.04509	0.6
135.08241	0.5
136.05266	3.0
137.06079	1.0
138.06866	3.5
139.07660	8.0
139.56209	0.5
148.05345	1.4
149.06169	0.9
151.04129	0.5
151.07639	11.7
151.08797	0.9
152.04799	1.7
152.08427	8.0
153.09184	2.9
159.11739	0.8
161.09744	1.1
163.07684	2.5
166.02730	0.9
167.07195	0.6
189.09161	1.1
201.12828	5.1
203.10760	4.2
204.11540	11.1
209.11861	1.2
219.13882	16.8
227.13043	0.7
231.25813	0.5
245.11978	0.8
263.09659	1.0
263.12930	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	263.1287
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
55.01866	1.7
57.03445	3.2
59.01377	11.8
62.47808	1.7
70.26328	4.3
70.26668	1.6
71.01382	6.4
78.37048	1.4
78.76623	1.3
79.05525	2.0
83.05033	4.0
83.24102	1.5
83.25196	1.4
92.01018	1.6
95.05051	2.5
97.02948	12.5
105.07079	3.9
107.05079	2.3
108.05797	8.7
109.02955	6.6
109.06599	4.1
111.04506	19.1
111.08117	2.4
113.06070	10.3
119.08652	4.9
121.06589	2.4
121.63993	1.4
122.03755	12.9
123.04532	2.7
123.08167	8.6
125.06075	21.9
125.09740	1.7
135.04613	1.8
135.08174	4.9
136.05278	18.7
137.06076	7.4
138.06870	22.3
139.07657	43.2
148.05330	8.5
149.06094	6.3
151.07646	88.1
152.04788	10.0
152.08430	47.4
153.09219	13.1
159.11789	5.1
161.09676	8.9
163.07631	13.1
164.08284	1.7
167.07147	4.3
170.05809	1.9
171.08078	2.3
175.11214	2.5
177.12762	2.0
185.09784	3.3
186.10471	2.6
188.08441	3.7
189.09203	8.9
189.68748	1.4
201.12840	35.2
203.10767	26.9
203.12498	2.7
204.11540	71.1
205.11913	3.8
219.13895	100.0
220.14233	4.0
240.84584	1.6
245.11784	3.1
263.09305	2.8
263.12869	17.1
269.40805	1.6
269.43735	1.8
271.29660	1.5
277.33405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2015
Annotation	KDC 165
Peak:m/z	Relative Intensity
50.08378	0.3
50.49803	0.3
53.39174	0.3
55.96835	0.3
59.01382	2.7
70.66673	0.7
70.67015	0.3
71.01393	0.4
84.50934	0.3
90.32415	0.3
94.26340	0.3
107.07955	0.3
111.06039	0.3
124.37185	0.3
127.07648	0.3
134.36418	0.3
219.21198	0.6
245.19141	0.5
255.50690	0.3
261.18405	0.5
263.20135	100.0
264.20444	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	265.1444
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.29213	2.4
52.97371	2.2
57.03458	10.2
59.01377	13.7
65.03954	10.2
67.01832	3.0
69.03455	2.1
71.01371	6.5
71.52352	2.9
79.55310	1.9
80.02691	2.1
81.03455	24.3
83.05025	27.4
85.02946	2.8
86.69818	2.3
87.68124	2.0
93.03454	22.3
95.01302	2.3
95.05016	8.9
96.95969	3.5
107.04990	2.3
109.02936	7.3
109.06576	4.9
110.03722	8.7
111.04526	61.1
121.02945	4.7
123.04500	5.9
123.08150	2.9
137.09695	2.2
139.11290	10.3
155.10735	4.1
163.04015	2.7
168.88785	2.5
171.10283	6.3
177.12773	10.1
183.10141	2.7
193.06332	2.3
193.15964	23.7
203.14317	2.4
219.13847	8.3
221.11816	24.9
221.15294	3.4
237.14951	98.4
238.15387	3.4
239.10921	2.4
247.13362	21.9
262.07718	1.9
265.07144	2.4
265.14429	100.0
266.14609	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77136	0.3
58.33925	0.3
58.66127	0.2
59.01387	0.4
67.18030	0.3
74.20956	0.3
79.95724	2.4
83.11602	0.3
85.22396	0.3
95.95267	0.4
96.96010	100.0
165.29274	0.3
177.01904	0.4
250.46632	0.3
265.14771	87.3
266.15125	3.4
273.93372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1805
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
59.01379	10.6
69.55002	7.4
71.01387	1.2
78.95911	5.9
85.02938	2.0
93.03459	1.3
96.95998	9.3
101.02470	1.2
103.03985	1.5
107.05023	1.2
123.38115	1.2
149.09715	1.5
154.82138	1.0
167.10783	20.7
172.70728	1.2
195.10202	6.0
195.13873	4.8
196.75439	1.3
203.10783	1.6
203.14330	1.3
203.18051	2.3
211.72374	1.1
223.13336	4.1
228.10083	1.4
237.18628	1.7
247.13336	4.1
247.16988	9.0
265.14844	10.6
265.18036	100.0
266.18344	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2172
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
58.47931	0.3
59.01359	0.6
66.64111	0.2
70.70449	0.7
77.05179	0.3
79.47279	0.3
85.38394	0.3
96.96008	7.7
98.43135	0.3
108.35892	0.3
108.71488	0.3
109.20265	0.3
265.14917	6.3
265.21704	100.0
266.14920	0.3
266.22025	6.6
277.45139	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0894
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01369	0.1
70.33321	0.2
80.02589	0.1
86.98645	0.1
87.00875	0.1
92.02538	1.3
106.69082	0.1
107.03633	5.1
107.04364	0.3
121.26516	0.1
134.04727	100.0
135.05164	1.4
217.09093	0.1
266.08932	6.5
267.09283	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1396
Annotation	(+)-Codonopsine
Peak:m/z	Relative Intensity
55.86425	0.4
60.55326	0.4
61.33875	0.4
62.88696	0.4
66.61893	0.4
69.36144	0.4
70.81792	0.9
70.82147	0.6
142.60837	0.4
151.43303	0.4
176.14444	0.8
190.12410	0.8
204.13930	28.2
205.14261	1.6
216.71315	0.5
222.14980	52.7
223.15305	2.5
234.58542	0.4
248.12914	4.4
266.13953	100.0
267.06668	0.7
267.14264	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	267.1236
Annotation	Pectinolide C
Peak:m/z	Relative Intensity
57.03416	1.2
59.01325	3.0
71.52289	0.9
80.64585	0.6
83.04989	0.7
83.05520	0.6
84.02113	1.8
87.00809	1.6
96.96018	3.5
98.12007	0.5
113.02422	0.9
121.02862	1.0
160.21371	0.6
170.88907	0.7
185.55580	0.6
188.89929	0.7
193.52957	0.7
205.12286	1.1
223.13383	100.0
224.13728	6.1
249.14932	6.7
250.15474	0.6
267.06534	2.9
267.12387	19.2
267.15872	2.3
268.12601	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	267.1236
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
57.03452	3.6
59.01376	100.0
60.23199	0.5
70.22407	1.9
71.05029	1.8
79.95761	1.2
83.05033	1.5
87.00860	3.0
125.48177	0.5
150.74713	0.6
161.09776	0.7
161.13388	2.1
163.11304	1.5
186.64801	0.6
187.11310	0.6
207.10204	2.9
223.13383	52.5
224.13680	3.0
251.84596	0.6
267.06821	0.9
267.12427	5.0
267.15549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1235
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
53.97324	0.6
57.03447	2.6
59.01377	100.0
60.01727	0.7
60.84698	0.6
64.28420	0.6
70.66018	1.7
71.05022	1.4
73.02971	0.7
73.71335	0.6
76.71123	0.6
83.04993	1.1
84.02167	0.8
87.00878	2.3
91.23247	0.7
105.01932	1.0
107.05053	0.7
109.02961	1.0
121.02934	1.0
123.38641	0.6
137.04347	1.3
137.77657	0.6
139.14368	0.6
143.80128	0.6
161.09839	0.6
161.13373	2.8
163.11272	1.3
187.11343	0.9
205.12367	1.4
205.16118	0.6
207.10208	3.0
207.40535	0.6
211.07642	0.7
223.13376	55.0
224.13762	1.9
249.15073	2.0
267.06586	7.2
267.12411	6.7
267.16074	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	267.1963
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
52.17689	0.6
55.01859	1.5
59.01352	2.5
63.79502	0.7
69.03449	6.3
69.19605	4.3
69.20029	2.6
71.04649	0.8
71.05016	12.1
80.02666	0.9
81.03436	0.8
83.05022	2.0
87.00823	0.9
98.95580	2.3
101.02431	0.8
103.89713	0.7
112.85684	0.7
112.86484	0.8
112.98592	0.9
115.73895	0.8
119.58046	0.9
158.06236	0.8
192.62891	0.7
195.17497	1.5
211.95441	0.7
221.19052	3.7
223.20647	100.0
224.20972	5.0
241.94659	0.8
267.14984	2.1
267.19629	73.9
268.19858	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	267.2329
Annotation	cis-10-Heptadecenoic acid
Peak:m/z	Relative Intensity
59.01379	0.6
63.49771	0.5
68.66275	0.3
70.57826	1.1
82.42580	0.5
98.95592	0.9
242.02605	0.4
243.96645	0.4
267.23279	100.0
268.23611	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	268.0307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
61.98827	100.0
70.63484	1.2
71.01408	1.1
87.00905	0.8
89.02440	1.8
100.39743	0.7
109.92471	0.6
128.07246	1.1
130.08772	2.5
135.03117	3.5
136.03485	3.1
231.97238	1.7
267.94937	3.1
268.07703	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75216	1.0
56.01282	1.1
58.54739	1.0
58.99722	1.0
59.01380	2.4
60.99305	14.6
61.98795	1.5
70.63768	1.3
71.01381	1.9
71.50385	2.3
74.69199	1.2
78.95881	1.4
81.62434	1.2
87.00887	1.5
88.98801	100.0
89.02441	24.4
89.02958	2.3
93.03446	1.5
109.02943	1.3
113.02407	1.1
120.99674	2.4
124.14345	1.1
126.87116	1.2
129.06764	1.1
131.98448	1.1
132.17500	1.1
135.01201	3.3
149.06079	2.2
151.96243	1.2
181.04993	1.7
269.01508	3.1
269.06726	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	269.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	9.8
57.03440	6.6
57.91207	1.0
58.00594	2.0
59.01378	55.4
60.34668	0.9
69.03465	2.0
69.34610	8.1
71.01381	100.0
72.01715	1.2
72.99304	3.3
73.02943	35.6
75.00880	2.1
79.46757	0.9
80.96500	1.3
83.01382	17.6
85.02949	48.9
86.00069	1.6
87.00887	5.0
89.02441	5.0
95.01389	7.4
97.02947	2.2
98.20656	1.9
99.00878	14.7
99.67467	0.9
101.02440	76.5
102.02807	1.1
107.05025	2.0
111.00851	1.0
113.02450	42.1
125.02460	2.6
128.97157	0.9
129.01924	2.5
132.31116	1.1
135.04549	1.5
143.03493	3.3
159.03006	7.9
161.04547	29.6
163.11435	1.0
197.11922	2.0
251.12828	1.2
269.04562	1.1
269.07797	1.8
269.10321	8.7
269.13828	2.5
269.21207	2.4
269.24780	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.3
59.01376	100.0
60.01710	0.6
60.99281	0.6
69.79283	2.6
87.00878	0.9
97.06596	1.2
99.04520	4.5
109.06584	1.6
112.75074	0.6
156.28755	0.6
163.11331	0.9
165.12813	10.5
181.12315	0.9
186.39685	0.7
189.12811	2.2
191.10796	0.9
207.12019	1.3
207.13881	16.6
207.15874	0.9
208.14322	0.7
209.11806	21.9
210.12155	0.9
225.14928	12.5
251.12860	10.4
269.13916	88.0
270.14319	4.6
270.59506	0.6
284.00278	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0224
Annotation	5-epi-Valiolone 7-phosphate
Peak:m/z	Relative Intensity
59.01366	0.4
61.98828	0.6
70.93634	0.4
71.01365	1.1
71.38225	0.7
72.99317	0.7
73.10875	0.4
78.91880	0.7
78.95901	37.4
88.98804	1.5
92.58772	0.3
93.03439	0.4
94.85220	0.4
96.96960	100.0
121.92906	0.4
124.98772	0.9
139.55106	0.4
142.99864	7.2
147.06638	0.6
173.00900	3.2
173.04541	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	271.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98828	0.6
70.93634	0.4
71.01365	1.1
71.38225	0.7
72.99317	0.7
73.10875	0.4
78.91880	0.7
78.95901	37.4
88.98804	1.5
92.58772	0.3
93.03439	0.4
94.85220	0.4
96.96960	100.0
121.92906	0.4
124.98772	0.9
139.55106	0.4
142.99864	7.2
147.06638	0.6
173.00900	3.2
173.04541	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	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.5
70.72512	0.8
71.01374	2.6
71.05273	1.6
72.99309	2.8
74.02456	1.1
78.95901	1.8
80.02677	1.3
80.96538	0.8
81.03445	0.9
83.01397	2.4
83.05025	1.4
88.04027	4.6
89.25938	0.8
98.64008	0.8
99.00886	3.3
107.05087	0.8
108.02185	1.8
109.02946	1.7
109.06588	2.6
110.03308	0.8
112.98803	5.9
115.00345	0.9
115.09280	0.7
123.04535	1.0
123.08196	1.1
125.09710	1.5
127.00374	1.1
132.93475	0.7
137.71178	0.9
139.07648	1.1
142.99863	3.9
143.11877	1.4
153.05576	5.9
153.09229	1.6
165.05498	0.9
173.00876	2.4
174.01694	100.0
175.02133	3.6
176.01152	5.9
187.10846	1.1
191.03510	5.7
193.04990	1.2
208.51186	0.9
227.09178	2.3
263.62079	0.9
271.08359	3.5
271.13205	4.1
271.15552	1.6
271.22699	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	271.2278
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
55.01869	0.3
57.03417	0.3
58.03586	0.2
59.01379	0.3
68.59543	0.2
69.85952	1.1
71.01382	0.3
72.99289	0.4
83.05066	0.2
108.02145	0.3
155.91179	0.2
197.19038	1.0
221.19119	0.6
223.20644	3.5
224.20967	0.3
225.22227	62.9
226.22569	3.3
253.21820	1.3
269.21283	0.4
271.22772	100.0
272.23123	6.7
272.26056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01628	4.9
55.01878	67.8
57.21665	3.0
59.01377	49.0
61.98814	8.2
65.94312	3.2
69.39587	2.7
71.01384	22.0
71.49673	5.5
72.99275	4.7
73.02935	16.7
74.02448	3.7
75.00867	100.0
78.95918	3.4
80.46035	2.9
85.02935	6.0
87.00874	7.8
88.04026	5.2
96.00880	4.1
97.06598	5.7
99.00873	29.3
101.02435	6.8
109.06503	2.8
112.00421	4.3
112.98827	8.0
113.02400	5.2
115.00365	82.1
117.01939	17.9
118.94177	3.0
123.04564	4.3
124.98794	14.7
126.70007	3.3
129.01953	15.1
130.08798	4.0
134.03783	3.8
142.99854	28.5
154.05063	4.0
158.08195	9.7
160.96454	7.2
167.08191	3.2
171.39630	3.1
172.06218	3.2
185.09200	3.1
191.05655	14.2
193.05037	3.2
193.07722	7.0
201.00424	4.1
219.01422	21.7
229.08182	9.0
254.99155	8.0
261.43756	3.2
273.03293	6.3
273.10947	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0769
Annotation	10-deoxygerfelin
Peak:m/z	Relative Intensity
56.34142	0.2
57.44598	0.2
62.43257	0.2
69.14252	0.7
69.14674	1.7
89.04005	0.2
94.36489	0.2
98.19752	0.2
107.06577	0.2
118.04258	0.2
148.01686	0.3
161.02458	1.0
174.03268	0.4
176.01167	1.0
185.06139	0.4
186.06860	2.3
189.01990	0.5
190.01190	0.2
190.02690	1.3
193.07719	0.3
200.04764	0.2
201.01913	2.2
201.09181	1.9
202.02711	0.9
213.05569	1.4
214.06342	21.2
215.03513	2.1
215.06584	1.1
216.00816	0.3
216.04274	1.3
227.07228	0.3
229.08679	100.0
229.14233	2.0
230.09007	6.0
237.14940	2.1
245.08176	8.0
246.05305	11.4
246.08344	0.3
246.08893	0.3
247.05646	0.4
255.16022	0.5
273.07651	9.9
273.20786	0.3
274.08090	0.5
274.10751	0.3
275.16940	0.3
294.10776	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29333	0.7
57.03431	3.5
57.03688	0.8
59.01373	2.0
64.92149	0.8
65.00317	1.8
68.56119	0.9
69.18708	8.9
71.01382	0.9
71.50648	0.8
75.88519	0.8
83.01384	2.3
93.03433	1.3
95.59120	0.8
98.20695	1.4
101.02438	10.2
106.97780	0.8
107.01378	2.3
121.05806	1.1
139.11343	1.2
151.00348	2.9
151.11269	1.7
161.02466	1.8
166.87308	1.0
169.12337	96.3
170.12703	4.3
171.10197	1.9
185.06038	4.5
197.11826	19.4
199.13312	0.8
200.04724	1.3
201.05569	1.1
209.11781	3.8
211.13445	4.0
229.08638	2.3
237.11258	1.0
241.10809	100.0
242.11273	4.3
242.13287	0.8
243.12341	2.0
245.04446	5.2
249.52333	0.9
255.12219	1.4
273.03925	4.3
273.07208	1.5
273.13425	21.1
274.13696	1.3
286.56653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66857	0.5
55.01885	0.4
59.01369	2.0
69.54133	0.9
69.54544	1.9
70.80230	0.4
71.01395	0.4
76.46814	0.5
80.05519	0.4
81.03459	0.7
83.01379	3.8
83.05009	0.5
84.02149	1.9
97.02947	0.5
97.06596	1.1
97.85971	0.4
118.56145	0.5
120.41795	0.4
125.09714	4.9
127.11283	1.6
147.11775	0.5
163.11238	1.5
165.12836	0.9
171.10303	3.9
181.12129	0.5
182.13159	0.8
191.10745	3.0
193.07593	0.5
201.01718	0.4
204.05820	0.4
209.11827	4.6
211.13295	1.0
213.14812	0.5
223.13419	0.9
226.12039	1.5
231.16010	1.5
241.14436	1.6
243.16028	1.0
273.03830	1.1
273.17041	100.0
274.17465	4.9
292.30072	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.7
59.01367	8.5
60.23521	1.8
61.16931	1.6
61.98830	77.6
67.01892	9.8
68.99808	2.1
71.01369	8.4
71.50559	1.7
72.99301	2.7
75.00877	4.2
78.56373	1.7
81.03453	65.3
87.00826	2.3
88.04040	2.6
95.01379	4.6
95.05011	1.8
97.02901	2.3
97.06564	2.4
99.00885	3.2
103.92019	1.7
112.04004	3.3
115.00372	1.8
123.04518	100.0
124.04869	2.7
128.03477	3.2
130.08679	4.0
142.08746	2.0
143.07149	3.1
143.11879	5.1
145.09865	2.7
153.09210	5.2
167.03481	6.0
169.08640	2.5
171.10275	1.9
180.09421	2.1
200.14095	3.5
211.02493	39.5
212.02649	3.0
215.09235	17.9
233.10318	12.2
244.12997	4.2
274.09448	2.1
274.14029	5.4
275.11295	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	275.0924
Annotation	Illudalic acid
Peak:m/z	Relative Intensity
56.27988	0.2
57.67327	0.2
59.01355	0.3
69.03458	0.4
69.78033	1.4
71.11239	0.2
79.28986	0.2
98.19953	0.4
99.04859	0.3
130.04221	0.8
134.03746	0.7
146.03731	1.0
148.05283	0.3
151.07639	0.9
158.03726	3.4
159.04517	5.3
159.08105	1.0
172.05286	11.9
173.06064	8.4
174.03203	0.4
174.06718	1.1
175.07625	0.6
175.98013	0.3
183.04564	0.4
187.04153	4.6
187.07631	100.0
188.04538	0.3
188.07979	4.6
197.06065	0.4
198.06824	0.4
200.04758	0.3
201.05566	9.5
202.06337	17.4
203.06772	1.0
203.10751	1.1
203.44379	0.3
204.04297	1.9
213.09212	3.7
215.07089	0.6
216.07861	0.9
216.93103	0.3
231.10240	23.3
232.10580	1.2
257.12994	0.3
275.09256	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	275.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01051	0.9
58.17455	1.0
65.69427	1.0
69.59976	6.1
77.03951	2.8
78.76652	1.1
89.03983	1.9
93.03460	2.5
95.05038	3.9
97.06592	2.3
103.93446	0.8
105.03458	16.0
106.04276	1.8
111.00859	1.1
115.55736	1.1
117.03455	5.7
121.02959	4.3
123.04540	2.7
132.02148	1.0
133.02957	50.0
134.03743	80.2
135.04565	18.0
137.02446	21.0
139.03998	5.8
145.06564	1.1
149.02490	1.8
150.03159	3.0
159.04601	1.2
161.02431	4.3
162.03236	13.1
172.05354	1.0
177.01930	10.7
178.02708	100.0
179.03122	3.1
187.07605	3.1
203.10674	1.1
231.10237	44.6
232.10619	3.0
275.09247	71.1
276.09512	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	275.1136
Annotation	Clandonensine
Peak:m/z	Relative Intensity
59.01381	13.1
69.52148	1.8
69.52556	4.9
71.01381	20.9
71.05010	1.4
72.99301	5.2
87.96467	1.0
88.71412	1.0
97.06566	4.2
98.20642	1.5
99.00867	11.4
100.19025	1.0
105.73764	1.0
123.04522	2.1
125.09718	2.2
127.11289	1.5
135.08147	4.3
141.09206	1.5
142.02661	1.1
143.07124	14.8
147.11960	1.1
153.09198	22.5
156.48233	1.1
169.08714	8.1
171.10254	6.6
179.07062	2.8
187.09950	1.4
188.03603	1.3
197.08163	10.9
215.09230	100.0
216.09538	3.0
228.09404	1.0
233.10271	50.7
234.10660	2.4
238.09787	1.2
275.11450	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	275.1135
Annotation	Clandonensine
Peak:m/z	Relative Intensity
50.07162	0.3
57.03422	0.4
59.01377	20.3
66.19655	0.3
69.64096	2.1
71.01385	0.9
72.99300	7.1
74.33984	0.4
96.95996	0.5
111.08158	1.0
123.08193	1.0
125.09718	5.9
127.11197	0.4
135.08177	2.7
141.09210	1.1
143.07137	1.4
151.07587	0.8
153.09215	16.1
154.09616	0.6
169.08707	6.4
170.09033	0.4
171.10263	6.7
173.08174	0.9
179.07091	1.1
197.08139	2.8
213.11328	1.1
215.09227	100.0
216.09575	4.0
233.10335	2.0
263.46603	0.4
275.06052	0.6
275.11398	7.3
276.11783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78793	1.4
55.36968	1.4
59.01385	2.5
61.98825	1.7
62.92700	1.3
70.66701	3.6
97.06585	1.8
106.20053	1.7
106.48417	1.3
110.27332	1.4
118.02682	1.3
171.12852	1.4
231.21146	100.0
232.21503	6.8
275.20108	34.3
276.20459	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	275.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
67.51998	0.6
70.53072	0.7
70.53397	2.1
74.01891	0.8
112.23816	0.8
177.16374	1.2
231.21176	6.6
275.20129	100.0
276.20523	7.2
281.15076	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07448	0.4
53.83328	0.4
59.01374	0.9
61.21564	0.4
67.22995	0.3
71.01369	0.6
71.25385	0.6
71.25729	0.6
78.95901	38.2
83.05024	0.5
83.84718	0.4
87.00964	0.4
91.33817	0.4
96.96957	100.0
101.06046	0.7
113.06036	0.5
115.02084	1.0
115.04002	0.6
120.99646	0.5
145.05173	0.4
146.08241	0.4
195.11760	0.4
259.11819	1.3
276.98807	0.6
277.03683	0.5
277.12869	6.0
277.15625	0.5
277.21634	2.2
297.68048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07448	0.4
53.83328	0.4
59.01374	0.9
61.21564	0.4
67.22995	0.3
71.01369	0.6
71.25385	0.6
71.25729	0.6
78.95901	38.2
83.05024	0.5
83.84718	0.4
87.00964	0.4
91.33817	0.4
96.96957	100.0
101.06046	0.7
113.06036	0.5
115.02084	1.0
115.04002	0.6
120.99646	0.5
145.05173	0.4
146.08241	0.4
195.11760	0.4
259.11819	1.3
276.98807	0.6
277.03683	0.5
277.12869	6.0
277.15625	0.5
277.21634	2.2
297.68048	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39659	0.6
59.01379	100.0
60.01728	1.0
61.98835	1.0
67.09882	0.6
71.01376	5.9
71.05027	0.8
71.51674	0.6
72.99291	1.4
73.02944	2.8
78.95884	1.5
83.01384	1.9
85.02958	4.3
87.00902	0.8
88.89598	0.6
95.01401	0.8
96.95998	1.8
96.96970	2.4
99.00874	1.5
101.02444	6.7
112.65121	0.6
113.02454	2.0
113.37905	0.6
115.04003	0.8
121.02951	4.1
133.03033	0.7
135.04521	1.3
137.02502	0.6
138.05627	1.7
140.07217	1.0
146.08278	2.0
152.72087	0.6
159.03107	0.7
161.04567	3.1
161.05815	0.6
164.07146	1.6
169.72461	0.6
178.12897	0.6
189.02013	0.6
189.09451	0.8
193.56833	0.6
203.09286	0.8
205.08752	1.1
217.09744	1.9
228.05327	0.8
235.11864	9.8
277.03662	0.7
277.07541	1.8
277.12152	3.5
277.21710	24.5
278.22043	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49068	0.5
56.54819	0.4
57.03458	0.7
59.01379	100.0
60.01729	0.6
71.01372	6.5
71.05006	0.9
71.05341	1.1
73.02956	3.2
74.02485	1.0
78.95904	1.1
80.96477	0.6
83.01398	1.7
85.02944	3.2
95.01397	1.0
96.96029	1.2
96.96976	2.0
97.02975	0.6
99.00847	1.1
101.02441	6.2
104.99865	0.6
108.04578	0.7
109.02991	0.6
113.02439	1.3
121.02959	3.7
130.06630	0.7
131.03719	0.7
133.02921	1.7
135.04549	3.1
141.09230	0.9
143.07103	0.8
146.08211	3.6
161.02522	0.9
161.04547	2.9
177.01915	0.9
179.03490	1.5
189.01991	1.3
211.08179	0.5
215.03310	0.6
217.09932	0.6
217.11888	1.1
235.11862	9.8
256.28699	0.6
277.03595	0.5
277.07675	1.9
277.12183	1.8
277.14859	1.2
277.21713	23.3
278.21921	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58892	0.4
51.01232	0.4
55.41624	0.4
57.03435	1.4
59.01376	8.3
60.01671	0.4
64.49617	0.5
65.13496	0.4
69.03458	1.2
70.91135	1.3
71.01376	3.9
71.05017	8.1
72.29754	0.5
73.02956	4.2
81.03469	0.5
83.05022	2.2
85.06572	1.8
87.04503	1.9
95.05025	1.0
96.96986	1.2
97.02925	0.8
97.06579	4.5
99.04514	1.6
99.08174	2.7
99.08752	0.4
101.06086	6.3
101.06699	0.8
109.06583	1.3
111.04539	1.0
113.06087	6.3
113.98803	0.6
115.03209	0.6
115.04011	10.6
115.07613	2.6
121.02979	0.8
125.06122	0.8
129.05582	1.9
135.11824	0.8
141.05542	0.6
143.07159	0.7
145.05051	2.0
151.11290	0.8
153.12885	0.8
161.09744	0.7
161.31740	0.4
169.08713	0.7
169.12367	0.7
169.18158	0.4
179.10779	3.1
195.10164	0.6
197.11838	3.1
215.12871	4.3
223.09683	1.3
233.13914	0.8
241.10831	6.3
259.11844	24.3
260.12234	1.0
277.12912	100.0
277.21497	5.2
278.13245	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	277.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
62.53231	0.2
71.01383	0.3
71.28954	0.3
71.89964	0.2
78.90477	0.2
79.83067	0.2
83.05047	0.3
103.00095	0.2
114.40384	0.2
121.02969	0.4
147.05180	0.3
151.91127	0.2
205.15941	0.3
205.19572	0.3
233.22632	0.3
259.20621	0.6
270.73932	0.2
275.20078	0.5
277.21704	100.0
278.18954	0.4
278.22064	6.7
294.63077	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2169
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.97242	0.3
59.01360	0.6
59.58922	0.3
69.65038	0.3
70.83911	0.6
76.33856	0.3
127.07650	0.3
130.72246	0.3
199.14322	0.3
226.87389	0.4
269.96698	0.3
277.21692	100.0
278.22018	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
69.24143	2.5
71.01338	0.3
98.20675	0.6
121.02943	0.5
142.08308	0.3
159.60460	0.3
187.15314	0.3
207.43935	0.2
233.22662	0.5
259.20645	0.5
275.20108	0.6
277.21692	100.0
278.22037	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	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77014	2.0
59.01352	3.5
62.02373	2.3
62.52811	2.5
63.94168	2.2
66.03492	3.4
70.35447	7.5
71.01369	4.0
78.95912	3.3
82.02975	6.7
83.01373	3.1
87.00856	3.8
96.96940	3.4
100.45200	2.4
105.01923	8.6
110.02477	36.7
111.02000	47.7
122.02473	3.5
140.03554	3.3
151.47261	2.6
152.03514	8.0
153.03105	3.8
177.20406	2.5
200.05640	18.1
218.46933	2.7
243.06204	100.0
244.06409	4.8
279.03851	16.8
279.10626	2.6
279.23328	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	279.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.4
58.40811	1.1
59.01376	3.1
60.42530	1.0
60.97530	1.9
69.32298	10.2
72.00376	4.5
72.97529	3.1
73.01143	1.5
74.02439	1.3
85.41988	1.1
86.63438	1.1
87.00877	25.7
90.98594	100.0
96.96006	1.5
99.08152	1.7
109.02959	2.4
109.06570	1.4
109.44631	1.2
111.04564	1.5
117.00175	2.7
121.02855	1.3
122.03760	1.7
123.54230	1.1
129.07439	89.7
129.16908	1.2
130.07721	2.0
135.01201	6.8
139.07654	6.3
145.06895	3.9
146.05405	1.1
147.08492	82.9
148.08733	1.5
154.76231	1.3
168.07976	1.5
173.06419	22.2
174.06725	1.2
179.00180	30.6
179.01758	1.9
187.07782	1.3
191.07451	25.0
192.07710	1.4
205.12309	2.6
207.10007	1.2
214.42390	1.4
217.07034	2.3
217.09010	30.2
218.09047	2.1
232.51863	1.2
235.10088	15.5
240.44009	1.4
261.07968	13.0
261.14920	1.5
267.71448	1.1
279.09088	31.9
279.12219	4.4
279.23264	40.1
280.09299	1.6
280.23645	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
50.49829	0.6
53.38654	0.7
54.60786	0.6
57.03448	11.4
59.01377	2.0
67.78238	0.9
69.03463	1.5
79.05528	1.5
81.03463	1.2
83.05023	2.3
90.98613	1.6
95.05013	3.0
97.02960	8.1
97.06578	2.0
99.04494	1.0
107.05042	1.4
109.02939	5.3
109.06594	7.6
111.04510	4.5
119.08666	2.6
121.06591	5.7
122.02909	1.3
122.03746	16.6
123.04548	4.7
123.08125	1.4
124.05305	20.2
125.06076	5.0
129.07414	0.9
133.06531	0.8
135.04521	3.2
135.08147	1.2
136.05315	1.0
137.06094	10.9
137.09723	1.0
139.07649	100.0
140.07974	2.9
145.10168	1.7
147.08179	4.6
148.05318	1.0
149.06018	1.2
163.07690	1.7
163.11310	1.7
168.07910	25.3
169.08595	2.7
171.08170	2.4
172.09009	1.2
175.07690	1.0
175.11275	1.6
177.09149	1.0
177.12819	1.8
187.11276	19.0
188.11606	0.9
189.09264	1.5
190.10022	4.3
205.12337	37.7
206.12541	2.2
217.09032	0.7
217.12329	2.5
220.22409	0.8
231.10330	0.9
235.13394	6.2
236.10229	0.7
249.11357	3.4
279.09036	2.0
279.12311	14.0
279.23068	1.7
280.12817	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
55.02122	0.6
58.48045	0.6
59.01373	2.3
69.44594	4.9
71.01376	1.1
74.44656	0.7
96.34997	0.6
97.06569	0.8
115.92051	1.0
167.10695	0.7
169.12381	0.9
179.14449	0.9
190.50432	0.6
195.13885	13.8
205.12387	0.9
205.15894	0.7
211.13423	1.5
217.19621	0.8
223.13376	8.7
228.13577	1.7
251.20123	0.6
256.13205	4.0
256.15515	0.8
261.18585	7.6
274.01736	0.6
279.19604	100.0
279.23138	24.3
280.19971	7.2
280.23578	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	279.2327
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
60.81110	0.4
64.53294	0.4
69.43504	0.9
69.43906	2.1
98.19903	0.8
99.50043	0.4
102.98947	0.4
195.25478	0.4
265.41437	0.4
279.23267	100.0
280.23569	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	279.2326
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
51.30999	0.2
57.31439	0.2
59.01363	0.8
68.74274	0.2
70.07098	0.3
70.07491	0.4
83.05062	0.2
96.96021	0.2
123.08128	0.2
130.68425	0.2
136.46973	0.2
261.22299	0.2
279.23257	100.0
280.23611	7.3
280.26709	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	4.2
60.99010	0.9
60.99304	12.9
71.01374	3.0
71.25448	1.7
85.02946	2.1
87.00874	1.0
87.04462	0.7
88.98802	100.0
89.02451	2.0
89.99146	0.7
101.02431	2.8
113.02443	2.1
113.18566	0.6
131.03490	1.1
136.37833	0.6
191.05638	2.3
196.76651	0.6
243.06071	0.6
252.56592	0.6
255.92677	0.6
279.87256	0.6
281.08704	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	281.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43006	0.3
57.25370	0.3
59.01377	5.7
61.98829	100.0
71.01385	1.0
71.20385	0.5
78.41351	0.3
78.95911	0.4
80.92490	0.3
88.04039	1.7
96.96024	0.7
101.02465	1.1
107.45364	0.3
108.27789	0.3
125.69004	0.3
146.08270	0.6
160.05281	0.5
161.04550	0.4
167.02209	0.5
185.26183	0.3
193.08865	0.3
218.10321	2.0
281.07025	0.7
281.11279	0.6
281.24826	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	281.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82578	4.1
59.01378	54.0
69.13315	8.9
69.13731	31.2
71.01378	5.3
73.02942	5.8
83.05013	9.7
91.00812	3.6
96.95998	4.4
98.20577	11.9
101.02448	4.1
108.93702	4.0
137.02417	6.1
156.93118	4.6
163.11357	5.3
176.04774	6.9
187.07758	5.9
190.17612	3.7
201.09595	5.6
201.11325	79.3
202.11629	6.0
205.08632	5.5
206.35150	4.7
209.11823	100.0
210.12231	4.5
219.13899	7.8
227.12910	56.4
227.72455	4.0
228.13156	5.0
236.75337	4.4
237.15019	6.3
245.13950	73.1
246.14136	5.1
249.07693	13.9
281.10184	25.3
281.13889	26.6
281.24884	17.2
281.57309	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01721	0.8
61.98832	9.6
66.63137	0.4
68.55127	0.4
71.01385	1.3
71.07123	0.7
71.07471	0.8
72.99320	0.5
73.02955	0.6
77.23872	0.4
88.98814	1.3
92.13902	0.4
94.36952	0.4
99.00915	0.4
101.02464	1.9
108.95763	0.5
113.02452	0.8
113.73711	0.4
122.60428	0.6
150.04233	2.3
161.04590	1.1
208.13533	0.5
221.10248	3.7
223.60811	0.5
281.24963	1.6
282.08646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1393
Annotation	Carolenalol
Peak:m/z	Relative Intensity
54.85061	1.0
55.01865	1.8
57.03444	15.2
59.01376	7.0
65.03968	2.2
66.44810	0.8
69.03481	1.1
70.67084	2.8
71.05016	1.8
73.39561	0.9
83.05029	14.2
85.02923	1.0
87.00875	17.5
88.35793	1.0
88.86079	1.0
93.03458	1.7
95.05018	4.3
96.02174	1.4
97.02954	1.8
98.03729	1.7
111.04530	6.2
111.08138	5.0
113.06073	2.0
119.08624	2.5
121.06593	9.5
123.08151	33.0
124.05257	3.0
129.07106	1.7
131.89597	1.2
133.06644	1.1
135.08162	1.6
137.06073	1.8
137.09679	4.8
138.06818	1.7
139.07639	6.4
145.10245	4.8
151.07642	4.4
153.09169	3.7
153.57022	1.0
163.11281	1.5
165.09142	1.0
169.08696	2.2
169.10214	5.1
171.11792	36.5
172.12131	1.5
189.12836	12.5
201.12822	12.8
207.13881	8.1
209.06155	1.6
219.13864	6.0
237.14934	50.6
238.15335	3.6
281.13916	100.0
282.14178	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	281.1394
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01872	1.4
57.03448	12.7
59.01378	7.9
60.80915	0.7
65.03964	3.1
69.03466	0.8
69.65742	2.3
71.05018	1.1
79.95757	0.5
83.05023	13.1
85.02934	0.8
87.00337	0.9
87.00875	15.7
93.03452	1.5
95.05035	4.5
97.02968	1.2
97.06579	0.8
98.03699	0.8
100.19109	0.6
101.06098	0.7
107.05075	0.8
109.06599	1.1
111.04527	6.0
111.08158	3.4
113.06059	1.6
119.08656	1.6
121.06597	7.4
123.08163	31.0
124.05310	2.1
124.08425	0.7
129.07161	1.3
132.68622	0.6
133.06543	0.6
135.08217	1.3
137.09700	3.7
138.06837	1.3
139.07646	5.8
143.08771	0.7
145.10226	3.8
149.09741	0.8
151.07640	4.2
153.09222	3.0
163.11301	0.9
165.09236	0.9
169.08662	2.2
169.10223	3.8
171.11797	32.8
172.12105	2.5
175.11275	0.9
187.11272	0.6
189.12845	13.2
201.11203	0.9
201.12874	11.0
207.13911	7.8
209.06093	1.4
219.13911	6.1
237.14952	49.2
238.15266	2.7
263.12793	1.1
281.13934	100.0
282.14227	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2484
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
62.48209	0.4
63.08370	0.4
70.24993	1.2
80.59177	0.4
85.35258	0.4
87.03388	0.4
98.20210	0.8
154.87975	0.4
161.93343	0.4
164.30153	0.4
185.42693	0.4
281.24835	100.0
282.25208	6.6
285.52496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0842
Annotation	Guanosine
Peak:m/z	Relative Intensity
55.38787	0.3
55.83636	0.2
59.01374	0.7
61.98835	1.4
64.73694	0.2
66.00964	0.4
70.14181	0.9
71.01384	0.4
71.76849	0.2
82.04123	1.1
89.02468	0.2
101.02445	0.7
102.02780	0.5
107.03619	3.9
107.45022	0.2
108.02032	8.4
116.41075	0.2
126.03090	3.1
130.08720	1.8
133.01556	29.0
134.01939	0.5
150.04202	100.0
151.02708	0.2
151.04672	1.8
268.03702	0.5
282.08423	31.8
283.05984	0.3
283.08795	1.5
283.26379	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03973	0.7
56.47850	0.5
57.03456	0.9
59.01376	100.0
67.05528	1.3
69.39155	2.3
69.39580	1.9
73.51899	0.6
83.05025	0.8
83.52908	0.5
91.59956	0.5
111.15932	0.5
116.80938	0.6
124.05311	1.1
135.11806	2.3
161.09683	1.2
163.11343	1.0
179.10760	61.4
180.11095	3.0
195.13922	2.1
196.21294	0.7
197.11795	1.7
202.43576	0.6
209.11809	17.2
211.13350	0.7
221.11821	1.5
223.09743	4.5
227.03476	0.6
239.12857	6.0
241.10873	1.1
268.03790	2.8
283.06287	3.3
283.11884	1.8
283.26389	31.1
284.03156	0.7
284.26712	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.60902	0.7
59.01377	100.0
60.01726	0.8
61.98834	1.1
71.51410	0.8
75.00876	0.8
81.03485	1.0
83.05016	2.2
87.00862	0.7
94.89857	0.5
95.04990	0.6
109.02949	0.8
149.06111	0.7
163.11331	1.2
165.09247	0.8
167.03500	1.8
195.02988	3.8
206.36531	0.6
209.11806	31.7
210.10361	0.6
210.12184	1.5
223.02429	1.1
251.02005	0.8
268.03818	3.0
283.06406	3.6
283.12256	1.0
283.15491	2.6
283.26410	42.3
284.03497	0.6
284.26700	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	283.1551
Annotation	[3S-(3alpha,3aalpha,5aalpha,6alpha,8beta,9beta,9aalpha,9bbeta)]-Decahydro-6,8,9-trihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
55.01872	1.4
57.03442	3.0
59.01375	8.7
61.98819	2.3
71.01389	0.7
71.51989	0.8
72.99282	1.0
73.02943	66.3
74.03291	0.7
83.05013	1.0
97.06590	1.4
101.02452	1.9
111.04530	0.8
117.01986	0.7
121.20246	0.7
133.02902	0.9
135.04486	1.5
161.02422	3.1
165.12857	8.1
179.03461	2.3
181.12413	1.0
191.10829	1.5
209.05760	0.7
209.11819	21.9
209.13815	1.4
210.12080	0.9
211.07573	1.3
221.15417	6.0
225.09142	2.9
226.09897	1.0
239.10748	1.9
239.16533	13.5
240.04216	1.1
241.14493	0.9
244.91141	0.7
247.09468	1.7
254.09511	1.8
255.13794	1.5
265.14301	1.0
268.03745	7.5
283.06256	7.9
283.15717	61.2
283.19104	3.4
283.26398	100.0
284.06058	0.8
284.16125	3.6
284.18759	0.8
284.26706	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	283.1702
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
51.67508	0.5
59.01377	2.0
70.70643	1.0
70.70963	0.7
71.64761	0.5
100.10433	0.6
107.05026	96.9
108.05376	2.3
108.18810	0.5
145.43663	0.5
159.55640	0.5
162.00891	0.5
163.11282	98.0
164.11601	3.7
268.03732	2.4
271.06830	0.5
283.06058	2.3
283.17023	100.0
283.22803	2.8
283.26355	28.4
284.17383	8.4
284.26636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53577	0.5
56.74420	0.6
59.01364	2.5
61.98815	0.9
64.63620	0.5
71.50243	0.8
72.99301	6.0
75.00866	2.6
78.95908	2.0
79.76167	0.6
83.99228	0.6
84.70277	0.6
87.00861	1.1
103.00345	0.8
105.01933	100.0
106.02276	1.1
110.98516	2.3
157.08879	0.5
249.00264	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	285.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46262	0.5
59.01378	2.1
60.56143	0.5
71.49662	0.7
71.50085	0.7
72.99300	7.3
75.00874	2.7
78.95905	2.1
87.00873	1.3
104.03491	0.6
105.01929	100.0
106.02264	1.6
110.98541	2.2
120.99743	0.6
218.45602	0.6
247.06522	0.6
249.00204	1.1
270.05344	0.7
285.06390	0.8
298.88837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.0
58.00582	1.8
59.01371	8.1
61.98803	1.3
71.52019	1.3
83.05009	2.3
84.02164	4.3
85.06590	3.4
90.75747	1.2
93.03422	1.2
95.05021	1.7
97.06599	11.8
100.17583	1.1
101.06077	100.0
113.06079	7.2
115.07662	8.9
123.08141	6.3
125.09718	93.5
126.10071	3.0
127.11279	3.6
129.09235	1.8
139.11255	1.6
140.08406	1.3
155.10858	2.7
165.09189	2.1
169.08676	4.0
170.69403	1.0
171.10265	30.2
172.10619	1.3
183.10330	2.0
187.09769	13.3
199.09729	1.5
201.11320	64.3
202.11667	3.4
211.13390	5.8
213.14989	2.6
220.84123	1.2
223.17032	7.8
225.05699	1.1
227.16457	1.9
241.14474	5.2
241.18076	1.6
242.02061	1.5
249.14963	15.2
257.17548	13.2
267.15994	20.6
284.26709	1.2
285.04013	7.4
285.14151	1.5
285.17111	37.6
285.20718	5.3
285.27231	3.5
286.17270	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	285.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	6.0
58.00600	1.4
59.01376	5.7
60.19159	0.7
69.03426	1.3
69.28492	1.9
69.28901	5.0
71.01421	0.9
71.05009	0.9
73.02971	0.9
73.50359	0.7
79.06990	0.7
83.05045	2.3
84.02162	0.8
85.06580	2.7
95.05050	1.3
97.06591	11.7
98.20613	1.5
101.06079	99.3
102.06423	2.1
103.53636	0.8
106.10283	0.8
113.06078	2.5
115.07661	8.8
123.08162	7.4
125.09720	100.0
126.10067	2.7
127.11315	4.2
139.11406	0.8
143.10718	1.2
155.10732	3.0
155.31035	0.7
165.09171	2.1
169.08672	3.9
171.10249	7.4
180.82182	0.7
183.10246	1.2
187.09764	12.4
197.06058	2.6
199.09857	1.3
201.11314	64.1
202.11664	2.5
211.13339	4.5
213.14830	1.2
222.98921	0.9
223.16997	5.3
226.07301	1.2
227.16499	2.5
233.42468	0.8
239.16586	0.9
241.09801	3.3
241.14380	1.5
249.14998	5.1
255.15999	0.9
257.17563	12.1
258.06415	0.9
267.16010	19.8
267.18671	1.6
268.16367	1.7
285.03995	3.7
285.07465	1.6
285.14243	1.3
285.17130	17.8
285.20282	1.9
285.27054	1.9
286.17468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23024	1.3
53.44358	1.1
57.03445	4.5
59.01379	8.5
63.88707	1.5
69.03439	1.4
71.52242	1.8
73.38544	1.2
83.05030	2.6
85.06624	1.8
95.05019	1.6
97.06606	9.6
101.06082	100.0
113.06082	3.4
115.07636	7.4
123.08179	6.9
125.09721	95.2
126.10063	2.5
127.11288	4.0
135.04524	1.3
137.09697	1.4
155.10757	2.2
165.09189	1.8
169.08693	3.7
171.10262	14.5
179.03421	1.2
181.02444	1.3
183.10245	1.9
187.09773	12.9
201.11322	66.5
202.11742	2.2
211.13382	6.6
223.16986	7.3
227.16476	1.9
229.01448	2.6
257.17630	9.5
267.15988	19.4
268.16232	1.9
285.04041	12.4
285.06927	2.0
285.13980	1.4
285.17062	19.0
285.27161	4.1
286.17435	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	285.2434
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
53.65049	0.9
59.01360	1.4
59.50281	0.8
60.05989	0.8
61.98829	1.7
70.36973	3.0
78.65611	0.8
84.02115	1.0
91.16124	0.9
94.93743	1.0
99.00860	1.1
157.05721	0.9
211.20718	1.1
211.80522	0.9
237.22195	4.1
239.23787	60.3
240.24130	5.1
246.34543	0.9
285.04047	2.6
285.24338	100.0
285.26721	3.7
286.24741	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	286.2387
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01373	0.6
61.54510	0.4
61.98804	0.4
63.56047	0.3
69.82809	0.6
69.83187	0.9
70.02966	1.1
70.59987	0.4
74.06111	1.4
79.11887	0.3
84.27024	0.3
86.90561	0.3
98.02457	0.4
115.05539	0.3
117.07101	6.8
118.05133	0.9
125.09697	0.6
240.23309	2.8
242.21234	1.4
243.17746	0.4
268.22653	0.8
269.15298	0.4
286.23849	100.0
287.16556	5.1
287.24261	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	287.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92404	14.3
52.12199	16.8
59.01382	94.0
60.32878	13.6
61.98832	19.9
68.99845	13.1
71.01369	36.1
71.24988	14.4
71.50581	21.0
76.53114	13.2
78.95903	35.8
81.03467	21.5
83.01332	14.2
87.00857	24.5
88.04038	20.0
93.03495	21.6
96.96987	17.8
101.00684	17.7
110.02459	17.4
111.01985	23.7
112.98786	29.6
113.02440	21.6
120.99645	43.7
123.04501	23.0
124.04084	14.7
125.02433	57.9
129.01909	23.8
136.04005	21.1
142.31667	14.9
152.40184	13.0
172.96782	16.8
213.07553	19.3
249.00185	73.1
250.99940	100.0
286.97495	19.8
287.08963	48.2
288.10748	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.15
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.4
59.01376	6.6
65.52670	0.4
69.03446	0.8
70.53053	1.2
71.01377	13.3
84.70278	0.4
89.02454	2.3
97.06556	0.4
107.01360	0.5
123.40553	0.4
125.02456	2.4
142.47299	0.3
146.45503	0.4
151.00369	0.5
151.11284	1.3
153.12860	1.3
157.17703	0.4
169.12328	5.9
173.06081	0.4
179.10828	0.9
197.11816	100.0
198.12144	4.9
199.13396	0.9
208.89479	0.4
209.11838	0.5
225.14938	0.4
227.12865	7.2
228.13258	0.4
229.14418	0.6
241.14467	0.5
243.06430	0.6
251.12897	1.9
259.06079	2.0
269.13940	1.5
287.05539	1.6
287.14923	5.9
288.15210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19662	1.3
59.01377	100.0
67.92196	1.4
80.94135	1.4
99.04527	1.9
117.80481	1.4
140.87495	1.6
207.13908	2.3
209.11809	8.3
225.14987	6.1
227.12866	50.8
228.13315	1.9
266.83133	1.3
269.13916	14.7
287.14975	93.0
288.15347	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	287.1652
Annotation	15alpha-Hydroxyestradiol
Peak:m/z	Relative Intensity
59.01379	5.7
60.07584	1.0
61.98840	1.5
68.99561	1.4
70.07266	1.9
70.07671	2.8
97.06565	2.0
99.92558	2.3
102.04737	2.6
115.05534	4.6
116.92804	1.7
117.07104	100.0
118.07439	3.6
123.08176	1.5
125.09753	9.1
143.05019	1.7
212.67938	1.2
215.94287	1.1
233.51622	1.2
243.17661	1.4
287.16525	85.4
288.16983	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	288.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	6.5
61.98827	100.0
69.61169	10.4
85.29572	2.0
87.00413	2.0
87.00878	20.7
93.03468	2.2
99.92542	2.5
105.01914	7.0
108.92521	1.9
116.11736	2.3
121.02959	2.9
133.02921	6.9
135.04514	39.6
141.54684	2.2
149.02419	21.8
161.02441	31.2
179.03484	51.6
215.12933	2.2
221.11720	2.3
233.85889	2.1
239.12788	2.2
267.06506	8.7
289.10629	3.2
289.18103	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	288.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23599	1.2
58.38759	1.0
59.01377	16.8
61.98824	5.7
70.55611	1.1
71.01379	7.8
72.99298	1.5
74.49844	0.9
76.53177	1.0
78.95928	1.3
79.60513	1.2
83.01398	2.0
84.04526	1.3
85.02935	12.6
86.06104	2.7
87.00884	1.3
88.84265	1.1
96.04557	1.8
97.06604	1.3
98.02467	6.1
99.92555	2.3
101.02438	6.7
103.92004	1.4
108.04514	1.6
112.04024	3.4
112.07686	2.7
120.99653	1.9
122.82513	1.2
128.03485	1.7
128.07156	2.5
129.01936	29.0
130.08727	5.4
130.89900	1.2
136.07669	5.5
140.07173	2.0
148.07726	1.1
152.07141	7.7
153.92862	1.2
154.08745	2.2
154.99875	1.2
156.06679	3.0
157.13367	1.2
158.08218	12.9
159.06688	1.2
164.10825	7.7
168.06563	1.6
170.08221	7.2
180.06679	2.7
190.08875	1.2
191.05641	3.1
197.90186	2.5
198.07782	2.1
208.09779	5.0
216.08719	2.3
224.09229	2.4
242.10344	4.1
244.87877	1.4
252.08794	5.2
257.94522	1.2
258.14523	2.6
270.09839	13.7
288.10870	100.0
288.15979	3.0
289.07037	1.4
289.11166	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	288.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.3
61.98827	100.0
69.43526	3.4
71.01340	0.7
81.37007	0.7
86.66611	0.7
181.39252	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1604
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01373	1.2
68.68640	0.3
70.02485	1.1
70.02864	0.4
81.03451	1.0
81.56499	0.2
92.05065	1.3
93.03462	1.6
95.41980	0.3
98.19946	0.4
99.92589	0.5
107.03754	0.4
108.02192	0.4
108.04556	5.3
109.02943	5.3
119.08705	0.4
124.01693	0.5
126.68205	0.2
133.02931	0.4
134.02473	33.8
135.03291	8.2
136.04037	36.0
137.02426	2.1
137.04366	0.8
148.04036	1.0
149.04819	1.3
171.35184	0.3
176.03522	4.4
177.04230	0.5
192.04282	0.6
204.06665	0.4
267.00116	0.3
288.16040	100.0
289.16251	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	289.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89990	0.7
59.01358	1.0
60.30960	0.7
69.87295	0.7
70.06548	2.4
78.95899	6.7
85.02950	9.2
87.00871	3.1
92.92808	1.5
92.97943	0.9
93.03460	2.3
94.92465	0.8
96.95993	0.9
96.96970	3.4
98.19965	1.2
108.90180	0.9
109.02891	1.1
127.04020	2.5
128.96754	0.8
154.91565	1.1
155.78076	0.8
160.98535	0.8
162.56291	0.9
191.05603	100.0
192.05896	4.5
250.99889	2.0
278.10925	0.8
289.03146	1.2
307.10315	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0831
Annotation	N2-Malonyl-D-tryptophan
Peak:m/z	Relative Intensity
57.03441	1.7
58.02975	16.8
59.01386	11.3
70.02978	12.4
71.01391	1.8
71.51071	2.4
72.00918	6.3
72.04537	4.1
74.02475	82.3
85.02950	2.6
87.00887	3.2
98.02472	17.3
98.17275	1.7
102.75450	1.8
102.76126	2.1
116.03549	21.3
116.05065	30.2
125.09659	2.9
130.06638	4.0
132.47197	1.7
142.06615	6.2
159.09247	6.6
164.60306	2.0
171.10310	1.9
187.09753	3.3
201.10252	3.1
203.08257	81.3
204.08604	5.1
209.11806	4.4
227.12929	3.6
229.14412	12.9
245.09303	100.0
246.09608	7.2
282.73145	1.8
289.07285	2.8
289.12003	5.7
289.16586	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	289.1082
Annotation	4,5-Dimethoxy-3,3',4'-trihydroxybibenzyl
Peak:m/z	Relative Intensity
55.88275	0.8
59.01375	0.9
61.40198	0.9
63.31784	0.8
68.99818	10.8
69.59260	0.7
73.02946	4.7
98.19857	1.5
99.53355	1.1
101.02444	11.9
109.02933	1.8
125.09278	0.9
145.02985	1.1
146.03745	1.1
147.04561	1.0
151.03442	0.9
151.07620	2.8
158.03716	2.2
159.04510	14.5
161.02415	2.7
171.04523	1.6
172.05266	16.3
173.06082	14.5
174.03172	2.9
175.03999	4.0
183.04524	3.6
185.06091	2.3
186.03259	1.5
186.06836	3.0
187.02304	1.6
187.04024	36.6
187.07639	53.7
188.04411	2.0
188.07994	3.0
189.01965	2.6
189.05574	19.5
190.05920	1.4
197.05969	0.9
199.04056	5.1
200.04765	12.3
201.05563	28.4
201.09187	1.4
202.06107	1.8
203.07162	2.9
204.04233	2.7
208.42105	0.8
211.03993	1.0
211.07507	1.5
213.09138	4.0
215.07114	43.2
216.04250	2.4
216.07874	21.3
217.05022	14.0
217.08205	1.5
218.05487	1.7
227.03587	4.6
228.04266	3.7
229.05055	1.1
229.08630	8.0
231.06607	8.6
232.03679	2.5
239.12695	1.2
245.08168	100.0
246.08511	6.1
257.08167	28.4
258.08646	1.3
259.06088	8.6
260.06821	6.8
262.04822	1.3
289.10803	68.9
289.17685	5.7
290.11029	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	289.1194
Annotation	Limazepine B2
Peak:m/z	Relative Intensity
51.34375	0.4
52.35892	0.3
52.49179	0.3
55.37012	0.3
59.01379	0.7
64.01920	0.6
67.76228	0.4
78.03484	0.8
79.95738	0.6
80.05070	1.8
85.63089	0.4
92.05066	4.8
94.02982	0.8
94.06615	11.5
95.05045	0.5
96.96008	1.8
98.95589	0.3
103.04238	0.6
104.05074	3.7
105.03457	2.5
106.02984	0.7
106.06622	37.6
106.71360	0.3
107.03785	1.4
107.06948	1.2
107.16785	0.3
108.04562	3.0
110.02477	0.9
120.04552	12.7
121.05379	3.7
122.02478	1.6
122.06117	36.2
123.03267	6.8
123.06437	0.9
124.07671	1.5
131.03760	0.8
132.04546	8.3
135.03264	1.1
136.04031	2.4
136.07698	0.4
138.05603	65.9
139.02625	0.4
139.05975	1.8
140.07184	3.0
144.08153	0.6
146.02406	0.6
146.06175	0.5
147.03226	0.5
148.04044	3.5
150.05600	21.6
151.05934	1.0
155.77023	0.4
158.06071	0.7
158.09746	0.8
159.04625	0.4
159.06924	2.9
164.03494	0.6
166.05104	5.1
171.03275	0.4
172.07664	0.6
172.11360	0.6
173.08406	2.0
174.12863	3.2
184.11295	2.4
185.11758	0.5
186.09177	0.5
187.03906	0.6
187.09990	1.0
187.12405	0.4
188.07153	2.5
188.10753	0.5
189.07945	5.8
190.08224	0.4
190.12413	0.3
197.07130	1.1
198.07954	0.8
199.02734	7.9
199.08707	0.6
200.05855	0.8
200.09375	0.5
200.10960	0.7
202.08727	1.5
202.12347	7.2
203.09482	2.4
211.08687	0.4
212.09531	1.5
213.06602	2.8
214.07320	0.7
215.11876	6.8
216.10364	0.6
217.05241	0.7
217.07387	12.2
218.07925	0.4
218.11784	1.0
222.06163	0.3
225.10321	0.8
226.07393	1.6
227.08371	1.8
227.11945	2.5
228.08705	2.3
229.09703	1.9
231.08968	6.1
231.11382	2.7
241.06020	0.9
241.09799	10.6
242.07016	0.8
242.10284	1.6
243.11356	11.9
244.06059	1.4
244.11726	0.9
245.12915	0.7
246.11316	9.0
247.11696	0.6
253.09772	1.0
256.08517	1.3
259.10837	6.5
260.11163	0.7
261.07745	0.7
263.09375	0.4
271.10861	22.3
272.11179	1.3
280.82913	0.3
289.11920	100.0
290.12375	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	289.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22463	0.3
54.22304	0.3
57.03447	0.5
57.06921	0.4
59.01378	4.0
60.69120	0.4
61.98850	0.4
63.59558	0.3
80.02645	0.4
83.05024	1.0
95.05038	1.0
97.06580	0.9
97.44275	0.4
101.06108	0.3
106.04214	0.7
107.04980	0.4
107.08692	0.3
109.06580	1.3
111.08190	0.4
113.09687	0.5
117.39120	0.3
119.05009	0.8
119.08656	2.1
121.06586	0.4
123.08167	0.9
125.09726	0.9
129.09222	0.4
131.05014	0.7
134.07353	0.6
135.08141	0.6
135.28459	0.3
137.09718	0.6
145.06578	0.8
146.07329	0.7
147.08139	0.5
148.08942	0.8
149.09714	4.1
150.10286	0.3
151.11279	6.3
153.12833	0.4
159.08128	0.8
160.08893	0.6
161.09671	0.8
161.60442	0.4
162.06905	0.4
163.11279	4.6
165.12773	0.8
173.09764	0.5
174.10400	0.3
177.12839	4.2
183.81111	0.3
188.12077	0.6
189.12807	0.5
191.14413	7.8
192.14809	0.4
201.59386	0.3
202.13777	0.3
203.14429	0.7
217.15970	2.1
222.17119	0.3
227.18002	0.6
229.23416	0.3
243.17575	0.7
245.19075	25.3
246.19330	1.5
247.17018	1.4
249.39995	0.4
261.18555	0.5
271.17020	3.5
273.14932	1.0
287.16583	0.6
287.20078	0.4
289.18076	100.0
290.18430	8.5
290.21719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1809
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03442	2.4
59.01373	5.8
61.98816	2.1
69.16131	11.7
74.05526	1.0
83.05012	2.6
98.20885	1.1
107.08664	19.8
119.08666	3.8
120.57082	1.0
125.35942	1.4
135.08145	1.4
137.09724	8.2
142.76617	1.1
151.11287	2.5
155.10728	1.5
197.11824	4.9
230.11937	1.7
245.19037	8.7
271.17029	1.7
289.03827	2.2
289.18079	100.0
290.13968	1.6
290.18396	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	289.1807
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.50691	0.5
57.03455	0.8
59.01374	1.9
61.98816	0.7
65.03964	1.8
69.18491	4.4
69.18906	1.0
77.29314	0.5
87.25457	0.5
87.62201	0.5
93.10603	0.5
95.67625	0.5
97.06573	2.1
106.04200	0.9
109.06597	2.1
117.13339	0.4
119.08661	75.6
120.08981	2.8
123.08164	1.7
125.09719	13.8
137.09686	0.6
145.06549	0.9
149.09680	0.7
158.51567	0.6
159.08130	0.9
160.08907	1.2
192.04349	0.8
201.12843	0.7
227.18077	0.5
233.15422	5.2
245.19127	3.1
257.93661	0.5
267.95999	0.5
271.17017	1.5
287.16333	0.7
289.18076	100.0
290.18436	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	289.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	0.2
69.29019	0.2
71.52436	0.2
73.80508	0.2
91.66364	0.2
116.43416	0.2
138.70425	0.2
243.87900	0.2
289.21710	100.0
290.22055	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	290.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.19214	0.6
70.19537	1.7
77.68161	0.5
94.73931	0.5
118.20741	0.6
136.46144	0.6
237.10782	0.7
309.02090	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02094	0.2
59.01364	0.4
69.48135	1.0
69.48544	0.3
79.95737	1.6
80.74286	0.2
96.96007	100.0
98.19936	0.3
119.34692	0.2
121.02966	0.2
135.04463	0.2
173.04541	0.2
175.07625	0.3
240.98985	0.2
291.12698	44.1
292.13046	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	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
52.24847	0.2
56.86481	0.2
59.01384	0.5
69.67936	1.3
97.06569	0.3
119.04980	0.3
127.07606	0.3
131.43040	0.2
148.08882	1.6
149.09641	0.3
149.24403	0.2
150.10480	1.0
151.11272	0.4
163.11302	0.7
165.12834	18.2
166.13145	0.8
175.11327	0.4
176.12051	0.8
177.12802	0.7
186.23070	0.2
191.14395	0.6
217.15950	0.5
247.20634	10.1
248.20947	0.6
273.18600	5.9
274.18881	0.5
291.19632	100.0
292.19980	10.0
292.23260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02515	0.4
58.17211	0.4
61.03300	0.4
70.84097	1.2
71.07996	0.5
77.41561	0.4
109.06568	0.6
148.08928	1.6
151.11247	2.0
153.12830	1.0
165.12814	1.3
165.90936	0.5
175.11269	0.8
177.12849	1.3
193.15996	0.5
203.14426	2.4
237.14995	1.2
247.20662	6.3
273.18564	1.4
291.19647	100.0
292.19971	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.0
57.77926	0.5
58.56987	0.5
69.65257	1.4
69.65673	2.0
84.51374	0.5
93.07098	0.6
97.06608	1.8
98.19951	1.0
113.64040	0.6
121.10226	14.3
123.08145	0.6
125.09717	6.6
141.12825	1.2
147.08203	0.8
165.12767	0.6
167.95488	0.6
185.11810	12.5
197.11778	2.8
209.11798	1.3
211.13383	2.0
223.13297	0.8
230.26247	0.8
231.53935	0.6
239.05740	0.7
247.20645	1.5
273.18469	1.7
290.93463	0.7
291.19647	100.0
292.20032	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	291.1965
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
51.00127	0.2
52.12575	0.3
57.03456	2.0
59.01379	1.3
59.40932	0.2
67.05533	0.4
69.92858	1.4
80.02677	0.3
83.05016	0.8
83.80654	0.3
88.54736	0.3
93.07088	0.7
95.05008	0.7
97.06568	1.3
98.19914	0.5
109.06550	0.3
111.08150	5.5
118.47424	0.3
121.10229	7.6
123.08170	0.8
125.09727	4.0
138.26578	0.3
139.12849	0.2
141.09178	0.3
141.12843	0.6
148.09023	0.3
163.11351	0.5
165.12846	0.5
167.10738	1.0
177.12823	1.2
179.10741	0.7
185.11806	7.6
186.12253	0.4
193.15958	0.3
195.13884	3.8
197.11856	1.7
209.11862	0.9
210.96402	0.3
211.13382	1.0
223.13307	0.5
247.20680	1.4
263.19983	0.3
273.18658	1.6
291.19635	100.0
292.19955	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98823	1.0
69.33768	4.4
72.31933	0.5
73.02942	47.3
75.63094	0.5
79.12556	0.5
100.96473	0.6
115.92099	0.5
116.20961	0.5
121.10232	0.7
140.01367	0.5
193.63489	0.5
210.53687	0.5
225.87241	0.5
291.19641	100.0
292.20010	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	Etherolenic acid
Peak:m/z	Relative Intensity
56.36371	1.2
59.01361	4.4
61.98810	4.3
69.19467	12.8
71.01380	2.7
75.28219	1.2
86.54392	1.3
86.62035	1.2
97.06580	73.4
98.06864	1.3
149.13367	1.8
165.12840	2.0
166.91409	1.2
171.10269	2.7
183.13884	3.5
192.70520	1.2
193.12305	23.2
194.13037	2.8
195.13850	1.5
205.09944	1.1
211.13373	56.5
212.13731	3.9
213.46069	1.2
223.64075	1.4
232.16292	1.2
247.98361	1.4
263.20151	3.5
273.18622	4.1
291.19644	100.0
292.19861	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	291.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57397	0.4
59.01381	3.1
69.03442	0.5
69.37189	2.9
69.37605	1.1
69.55902	0.5
71.05018	29.2
83.05008	0.7
92.16508	0.5
97.06591	8.6
97.90308	0.4
98.68789	0.5
99.91736	0.5
107.08675	0.5
118.74973	0.4
121.10255	0.7
123.08128	0.6
149.01797	0.4
157.12413	0.6
163.14894	0.8
175.14897	0.8
181.12363	1.4
182.67603	0.4
195.13950	1.3
195.65659	0.5
195.77608	0.4
207.13942	3.2
213.14833	0.8
213.55910	0.4
219.13911	4.0
225.95540	0.5
235.16991	4.1
247.20721	2.5
273.18472	1.8
290.98032	0.5
291.19638	100.0
292.19998	9.0
296.32742	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1965
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.26497	0.3
57.03446	2.7
59.01374	0.4
70.33494	0.7
70.33864	0.8
83.05035	0.6
86.05692	0.3
91.10713	0.4
107.08666	12.7
108.08959	0.5
109.06583	0.4
111.08148	0.7
121.10200	0.4
125.09678	1.0
129.69507	0.4
139.11288	7.3
151.11282	0.6
151.30708	0.3
163.11221	0.4
165.12825	0.9
181.12238	0.4
183.10255	1.8
185.11833	1.0
199.13393	6.6
204.25209	0.4
211.13419	0.5
223.13458	0.9
247.20657	1.2
273.18616	1.5
289.18045	0.5
291.19644	100.0
292.19980	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	291.233
Annotation	Grevillol
Peak:m/z	Relative Intensity
59.01381	1.1
61.98828	6.2
69.46810	5.6
74.99075	1.2
83.67058	0.8
98.19892	1.1
98.20478	2.7
105.60834	0.9
107.04622	0.9
120.96641	1.0
149.00916	2.8
161.06294	0.9
209.01268	3.3
217.07164	1.8
289.07523	3.6
291.09100	100.0
291.19876	3.9
291.23279	75.9
292.09201	13.9
292.23575	6.2
292.56082	0.8
313.74295	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0859
Annotation	TRIADIMEFON
Peak:m/z	Relative Intensity
59.01371	1.1
61.98826	0.7
68.02533	100.0
69.02881	0.6
70.45139	0.4
71.01382	0.5
71.09078	0.5
75.96223	0.3
79.95728	0.5
109.79926	0.4
126.99596	2.1
133.98120	0.4
152.08311	1.6
156.13943	0.5
162.21004	0.4
162.22447	0.3
165.42572	0.4
171.10240	0.5
177.09132	0.4
207.65738	0.3
220.14687	1.5
221.15439	2.2
234.00752	0.5
236.10472	2.3
274.19064	0.5
275.20102	0.5
292.08664	0.9
292.19992	3.3
293.17865	1.6
293.21240	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1918
Annotation	Nordihydrocapsaicin
Peak:m/z	Relative Intensity
57.03447	0.9
58.02978	0.6
59.01376	3.6
67.95546	0.4
68.99570	0.4
71.01389	0.5
71.05044	0.4
71.09353	0.8
71.53738	0.3
72.99301	0.4
97.02956	0.5
97.06627	0.4
113.09715	1.3
123.08173	0.5
125.09681	2.6
127.78938	0.4
141.12868	0.8
149.09669	1.0
156.13925	100.0
157.14285	3.4
165.12790	0.4
166.13205	0.7
167.10948	0.4
185.11812	5.6
192.11507	0.5
195.13895	0.6
197.11859	1.3
200.12898	5.0
205.12379	0.5
209.11613	0.5
220.14656	2.5
221.15453	4.9
221.17465	0.7
223.13335	0.4
233.10149	0.5
236.10602	3.3
248.20868	0.5
249.22116	0.8
251.12900	0.4
274.18918	0.7
275.20093	0.8
292.19965	13.8
293.21194	66.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38195	0.4
57.71250	0.4
58.02963	1.0
59.01378	5.1
61.98836	0.7
62.64123	0.4
64.57528	0.4
68.99590	0.5
71.01367	0.7
71.08675	0.9
81.35519	0.4
82.36920	0.5
85.20853	0.4
85.46496	0.4
86.51647	0.4
103.89165	0.6
121.10225	1.7
132.40897	0.5
156.13927	100.0
157.14259	4.3
167.10545	0.4
171.10229	2.9
179.14467	0.6
189.43979	0.5
195.13889	4.1
196.14484	0.5
200.12915	4.9
205.12291	1.1
211.13336	0.7
217.07170	0.8
220.14711	3.1
221.15469	7.6
223.13359	3.9
225.69173	0.4
228.13744	0.7
233.10210	1.4
236.10475	4.7
248.21024	0.6
256.13132	1.9
275.16904	0.6
275.20102	6.1
292.19943	11.5
293.17709	1.8
293.21191	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	293.1031
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
57.03434	5.6
59.01371	5.1
67.01860	1.5
68.39492	1.4
69.03443	3.7
71.05012	2.2
71.51788	1.5
71.52190	1.7
72.99313	12.6
79.05546	3.4
82.87819	1.8
83.05017	2.6
85.02943	5.5
85.06625	1.5
93.03461	3.1
94.04243	1.6
95.01340	1.6
95.05029	15.7
97.02945	14.3
97.06612	1.6
99.04509	2.2
107.04996	8.0
107.34281	1.5
108.02207	2.0
109.02946	17.2
109.06590	10.2
111.04512	20.1
111.08155	5.7
116.36938	1.7
119.08681	1.8
121.02991	2.1
121.06585	8.3
122.03735	69.2
123.04495	6.0
123.08215	2.1
124.05304	36.8
125.06065	8.4
133.02988	2.0
134.03764	3.2
135.04523	13.3
135.08194	4.3
136.05334	9.6
137.06088	30.5
138.06870	22.3
139.07648	100.0
140.07996	2.4
145.06572	2.2
145.10205	5.1
147.08176	4.6
148.05322	2.4
149.02429	1.6
149.06064	1.9
149.09787	1.9
151.04027	10.0
157.06590	3.1
159.04480	2.3
163.07640	6.5
163.11278	7.8
169.10117	1.6
171.08141	14.3
172.08838	2.7
174.06895	2.2
175.07619	3.5
177.12885	2.1
178.02713	3.7
185.09680	3.6
187.07686	5.7
187.11279	78.9
188.11589	4.6
189.09193	6.2
190.10017	14.2
202.06465	1.7
203.10767	3.2
205.12321	48.1
231.10236	23.3
249.11298	39.6
275.09177	10.4
293.05264	3.0
293.10327	70.5
294.10684	3.8
300.66882	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	293.1032
Annotation	Aduncin
Peak:m/z	Relative Intensity
52.24629	1.1
54.16704	1.2
57.03444	5.0
58.45398	1.2
59.01382	7.2
59.89084	1.2
61.98821	1.4
63.96265	1.3
68.57269	1.2
68.99815	2.0
69.03464	2.9
69.54430	7.2
71.01369	6.8
72.99303	5.4
76.65776	1.2
79.05529	2.0
83.05021	2.0
85.02950	2.3
87.00890	1.4
91.05535	1.3
95.05033	6.3
96.82436	1.1
96.95999	1.7
97.02945	6.1
97.06596	3.1
97.77449	1.3
98.20626	2.7
99.00877	5.0
101.02446	1.3
105.03443	1.6
107.05033	5.6
108.02193	2.1
109.02950	5.3
109.06569	9.5
111.04485	6.0
111.08131	1.9
117.03475	1.6
121.02990	1.7
121.06605	6.7
122.03737	100.0
123.04623	6.5
123.08125	1.7
124.05299	10.3
125.06094	4.2
134.49013	1.5
135.04520	11.4
135.08095	1.3
136.05301	12.4
137.06085	48.7
139.07657	16.7
139.99947	1.9
145.10251	2.3
146.03703	2.6
147.04524	9.3
147.05600	2.3
147.08087	1.6
148.05263	2.4
149.06038	3.4
149.07188	1.5
149.18382	1.3
150.05670	1.6
159.04559	1.3
161.02417	3.0
161.06125	3.8
162.03220	7.0
162.06857	5.3
162.74168	1.2
163.03958	2.3
163.07655	4.6
163.11264	7.0
166.89429	1.4
171.08167	4.7
172.08815	1.9
175.03883	2.5
175.07666	2.4
175.11287	1.3
176.04782	1.7
177.05583	8.3
177.12848	4.9
178.06418	2.9
185.09779	3.8
187.07622	2.1
187.11284	44.2
188.04753	6.9
188.11652	2.7
189.09268	2.1
190.02768	3.4
190.09973	12.1
203.07118	3.4
205.05081	4.8
205.08601	1.3
205.12326	35.8
206.04590	3.5
221.08134	3.0
231.10316	3.0
233.05724	22.2
249.07776	8.4
249.11287	11.0
265.07126	2.9
275.19821	1.7
293.07553	15.4
293.10370	81.9
293.21207	3.9
294.07773	1.6
294.10669	8.5
300.54593	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	293.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.8
57.03456	0.7
58.00578	1.7
59.01376	37.9
60.65010	0.7
69.30687	5.2
71.01376	20.3
72.00908	0.8
72.99299	1.5
73.02953	1.3
78.95906	1.7
83.01390	1.5
85.02944	4.7
85.06590	14.9
85.07098	0.8
87.00877	1.6
89.02442	22.8
95.01373	1.5
100.00391	4.0
101.02440	14.2
113.02444	7.6
113.06072	4.5
115.07650	1.4
119.03495	8.9
128.03503	2.9
128.45769	0.7
131.07138	51.6
132.07480	1.3
133.03972	0.8
144.03032	2.0
144.67827	0.6
147.04498	0.7
148.06294	4.3
152.87561	0.7
152.99579	1.5
161.04533	0.8
164.07082	1.3
173.08163	1.2
179.05560	1.3
183.70428	0.7
275.10367	0.7
293.12408	100.0
294.12692	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	293.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	1.1
59.01375	37.4
61.98837	1.0
69.03424	0.6
71.01377	18.4
71.21063	0.8
72.99303	1.5
73.02939	2.2
75.84258	0.5
83.01375	1.7
85.02942	5.0
85.06582	14.9
87.00867	1.5
89.02440	20.3
90.76136	0.6
92.86012	0.6
95.01383	1.8
99.00830	0.6
101.01799	1.0
101.02439	14.5
113.02453	6.0
113.06087	3.4
115.07642	1.7
119.03506	7.9
122.33895	0.5
127.07598	1.3
130.08742	0.7
131.07133	58.8
132.07487	1.6
161.04567	0.9
173.08182	1.6
179.05635	1.3
190.02513	0.7
240.18007	0.7
274.66602	0.6
275.74783	0.7
278.45404	0.6
293.12396	100.0
294.12775	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	293.137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48736	0.6
59.01376	12.3
61.98827	1.6
63.95678	0.7
68.99574	1.2
71.52430	1.1
72.99298	2.6
78.95922	1.1
92.81790	0.7
94.05566	0.8
95.04998	1.5
96.96008	1.9
97.02927	1.0
97.06577	0.8
100.12562	0.7
112.98568	1.6
121.02959	0.9
134.03725	0.7
151.03966	1.0
165.12773	1.1
177.01947	0.9
178.02757	0.8
183.13907	8.2
193.12268	1.7
208.00145	0.8
211.13387	100.0
212.13765	6.0
220.14699	0.9
231.17549	1.7
233.11588	15.7
234.11981	1.3
236.10492	1.3
275.16525	8.6
275.19577	1.1
292.53738	0.8
293.04749	0.9
293.13867	11.0
293.17551	5.1
293.20618	5.9
293.64340	1.2
294.13947	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	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
53.52076	0.2
56.31076	0.2
67.37024	0.2
69.18551	2.1
71.01380	8.2
73.00338	0.3
98.19862	0.5
127.07666	0.7
147.60867	0.2
148.05272	0.9
164.08391	0.7
177.09222	4.7
177.10750	0.5
191.10808	0.3
192.11560	6.9
193.12126	0.7
205.12341	6.5
206.12723	0.4
207.13896	1.0
217.08714	0.3
218.09465	2.0
219.10031	0.3
220.14677	48.1
221.15454	100.0
222.15790	6.6
235.13438	1.0
236.10530	68.9
237.10938	5.4
253.14464	0.4
275.19958	0.5
293.17593	11.5
293.21167	2.8
294.17969	0.9
294.21228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2114
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
53.96689	0.7
54.61700	0.8
58.41801	0.7
59.01365	3.4
61.98824	1.8
66.92004	0.8
71.01360	1.3
73.46665	1.0
96.95982	1.8
110.01382	1.1
111.08107	1.0
113.09722	1.2
121.02905	1.0
151.04036	1.0
160.40239	1.1
177.09377	0.9
195.13892	10.5
196.35175	1.0
211.13380	0.9
221.15372	2.2
223.13347	9.7
233.30978	0.9
236.10512	1.3
249.18504	1.5
256.13156	3.9
259.81750	1.0
275.17145	1.3
275.20120	7.2
276.20117	1.1
293.17615	9.4
293.21179	100.0
294.21555	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
66.61220	0.5
69.35149	3.4
72.43434	0.4
98.20782	1.1
110.05145	0.6
112.54671	0.5
120.54462	0.5
135.67502	0.5
139.31174	0.5
167.83067	0.5
195.13902	8.0
196.14603	1.5
211.13385	0.8
223.13353	7.3
224.13937	0.6
228.13728	1.3
256.13177	5.1
275.20151	5.9
292.86011	0.5
293.21213	100.0
294.21548	9.2
295.78210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55265	0.7
51.90707	0.6
57.03453	5.5
59.01383	2.6
74.64073	0.6
76.52477	0.7
79.09950	0.7
97.06562	1.0
99.98275	0.7
109.06620	0.9
113.09719	21.6
119.34844	0.7
119.46208	0.7
121.10249	1.3
125.09692	0.8
135.11839	0.8
139.11253	2.5
161.21696	0.7
167.10756	2.3
169.05238	0.8
171.10158	2.1
177.12825	1.0
179.10692	1.7
195.13901	3.6
241.16624	0.9
249.22179	1.2
252.11870	0.7
275.20078	5.1
276.20288	0.9
293.21210	100.0
294.21570	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01559	1.3
55.08206	1.2
59.01362	2.0
65.51350	1.3
68.89270	1.1
69.92406	3.2
69.92796	2.4
77.88610	1.4
97.42883	1.3
109.06611	2.2
121.40119	1.3
152.68068	1.4
164.26221	1.3
183.13890	23.7
195.13864	10.0
196.14574	2.0
211.13341	7.5
223.13374	11.6
224.13684	1.5
256.13074	3.7
265.21774	2.0
275.20139	11.4
293.21210	100.0
294.21533	4.9
298.89215	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14038	0.6
70.83903	1.2
70.84226	0.9
96.95976	1.2
121.10248	0.7
130.74959	0.7
139.11264	2.0
153.12790	2.3
191.18034	2.4
221.15485	0.8
224.14108	0.8
236.10445	0.9
244.38417	0.7
247.20682	1.9
275.20157	1.9
286.92886	0.7
293.21204	100.0
294.21573	9.3
306.20062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.7
59.01369	2.6
61.98820	0.9
68.99549	1.0
71.01387	0.7
71.05025	0.8
81.28164	0.6
83.05016	0.8
84.08083	0.6
89.10143	0.7
93.18013	0.6
98.19863	1.7
123.08078	0.7
136.08969	0.8
139.11253	0.8
151.11258	1.0
169.12355	2.0
192.11598	0.8
193.15979	1.9
197.11829	35.8
198.12125	2.0
202.38344	0.6
220.14671	2.7
221.15439	5.4
221.79871	0.8
231.21098	1.2
236.10547	3.7
249.18599	1.0
249.22134	1.3
275.20129	23.3
276.20297	1.7
293.21204	100.0
294.21527	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	2.8
67.26784	1.3
69.34805	6.0
69.35213	2.7
71.01363	1.3
78.36739	1.0
80.41486	1.0
82.14718	1.5
121.10233	38.1
122.10535	1.8
125.09731	2.7
127.11282	1.1
137.88704	1.2
146.46404	1.1
171.10258	71.0
172.10512	2.1
181.87978	1.2
183.13876	4.3
185.11830	3.5
211.13416	1.2
231.21135	3.9
257.19397	1.2
275.20139	100.0
276.20560	6.2
293.21213	71.2
294.21481	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	293.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88458	0.3
57.03445	0.5
59.01371	2.6
60.39186	0.3
61.98827	0.4
69.03423	0.4
69.45564	2.1
71.01385	0.5
72.23662	0.3
79.95734	1.3
80.96465	0.4
85.28931	0.3
95.04963	0.4
96.95985	0.6
98.20676	0.5
107.14394	0.3
109.66624	0.3
111.08145	0.6
113.09704	0.7
119.82465	0.3
136.08913	1.3
151.11255	0.4
167.10692	0.3
171.10197	0.4
179.10742	0.3
179.14363	1.0
181.12292	0.4
192.11534	1.3
193.15953	2.6
195.13881	12.0
196.14417	0.9
205.12292	1.4
205.15999	0.6
211.13354	0.8
220.14624	2.5
221.15445	4.9
223.13374	7.2
224.13969	0.9
228.13651	1.6
229.58076	0.3
236.10501	3.7
249.18588	1.1
249.21959	0.3
256.13132	3.6
265.21832	0.6
275.20123	6.9
276.20413	0.7
293.17947	5.2
293.21176	100.0
294.18201	0.5
294.21521	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07193	0.3
55.67222	0.3
56.35028	0.4
57.03440	1.1
60.40272	0.4
65.34026	0.3
70.38197	1.0
80.91449	0.3
93.49137	0.3
93.82790	0.4
93.87067	0.3
95.90038	0.3
97.06589	1.1
111.58739	0.4
121.10221	0.6
123.08186	0.5
125.09702	3.9
130.48914	0.3
133.18599	0.4
141.12869	1.5
149.09717	1.6
160.70341	0.4
183.13844	0.6
185.11824	9.0
186.12215	0.5
195.13878	0.5
197.11812	2.5
224.93846	0.4
249.22180	1.0
275.20087	1.3
293.21213	100.0
294.18240	0.4
294.21524	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63568	0.3
57.03419	0.7
59.01387	3.2
61.98816	1.3
68.99548	1.2
71.01375	0.7
71.06833	0.7
78.95895	0.7
79.95728	1.8
80.95971	0.4
96.96005	0.7
111.08145	0.7
112.98556	1.8
113.09695	1.3
113.81767	0.4
136.08963	2.5
143.35757	0.4
150.18037	0.3
163.11394	0.5
171.10219	0.5
177.09142	0.7
177.12823	0.4
179.14400	1.0
181.12375	0.4
192.11551	2.0
193.15958	5.5
194.16348	0.4
195.12088	0.6
195.13890	11.7
196.14488	0.8
205.12328	1.3
205.15903	0.4
211.13412	0.9
220.14661	4.3
221.15442	6.9
223.11353	0.7
223.13382	9.0
224.14040	0.4
228.13602	1.1
231.21175	0.7
235.16971	0.6
236.10521	5.8
237.11038	0.4
249.18613	1.7
249.22176	0.8
256.13159	3.1
275.20129	7.7
293.17813	7.1
293.21185	100.0
294.18271	0.7
294.21536	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24538	0.8
52.13540	0.9
53.30624	1.0
59.01373	6.0
61.11165	0.8
61.98832	1.8
68.99558	3.2
70.66483	2.2
71.01371	2.1
75.31722	0.8
77.23965	0.9
96.96011	1.9
112.98574	5.4
113.09752	1.2
134.86951	0.9
135.11807	6.5
136.08939	6.0
157.07471	1.1
157.08698	18.3
169.31874	0.9
177.09145	1.6
177.16452	1.5
186.12793	0.9
192.11539	5.2
193.12271	1.0
193.15947	11.8
205.12241	1.6
209.15460	6.9
220.14734	7.0
221.15462	13.9
222.15720	1.4
231.21133	2.3
233.15416	2.9
236.10506	7.9
237.11212	1.7
249.18593	28.2
250.18936	2.4
275.20132	54.5
276.20615	4.4
284.74704	1.1
293.17578	16.2
293.21143	100.0
294.18039	1.8
294.21442	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2486
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
59.01349	0.9
60.26785	0.5
61.98819	1.4
68.99556	1.1
69.53555	0.5
70.16740	1.5
70.17112	0.9
71.01354	1.1
80.84158	0.5
96.96007	25.7
98.19926	0.6
112.98535	0.8
136.29160	0.5
136.89120	0.6
192.11562	1.2
193.15965	1.5
220.14587	3.3
221.15456	8.4
236.10500	5.0
278.41125	0.7
293.17984	23.6
293.24844	100.0
294.18155	2.5
294.25146	8.4
306.00101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.171
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
59.01377	3.0
61.98833	1.8
62.49886	0.5
66.03496	0.5
69.83981	1.7
71.04993	0.5
80.05055	0.4
83.05016	1.2
84.35103	0.5
85.02957	1.7
85.06590	3.0
92.20182	0.4
96.96004	0.6
98.20000	0.9
120.70650	0.5
130.94637	0.5
134.09723	1.3
139.91266	0.4
146.09752	1.3
148.11317	0.7
162.12895	6.7
164.14445	17.1
165.14735	0.8
172.11276	1.2
190.12372	26.5
191.12733	1.8
206.12646	0.5
206.15527	2.6
208.13420	29.7
209.13800	2.2
232.17047	42.2
233.17357	2.7
250.18050	2.4
276.16031	18.5
277.16345	1.4
293.64313	0.9
294.17087	100.0
295.17450	6.1
296.49084	0.5
297.92865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0823
Annotation	Phellodenol F
Peak:m/z	Relative Intensity
52.62087	0.5
55.01888	0.5
57.03447	5.9
59.01375	5.4
59.05026	0.7
61.29057	0.4
67.09196	0.4
69.03478	2.0
69.68910	2.6
69.81616	0.4
71.01408	1.3
73.02963	1.3
80.96522	0.6
81.03459	0.6
83.05048	1.8
85.02950	3.0
87.00855	0.5
87.04512	24.0
93.03479	2.0
95.05025	7.0
97.02968	0.7
97.06607	0.5
98.03724	0.6
100.00419	0.5
103.59865	0.5
108.02172	0.7
109.02967	2.0
111.00871	0.6
111.04524	5.2
111.08179	1.3
113.02448	0.6
113.06091	7.2
115.03983	2.5
121.06615	1.9
121.10185	0.6
122.03722	0.6
123.08131	2.3
124.05329	0.8
131.03505	0.9
132.02184	0.8
132.05791	1.1
133.02975	20.5
133.05069	98.9
133.06665	3.0
134.03734	1.0
134.05405	2.0
135.04541	9.0
135.08144	0.8
137.06088	1.9
137.09721	1.2
139.07623	2.4
147.08151	0.7
147.11833	0.6
149.09724	2.9
150.00180	1.0
151.07654	0.9
155.07115	0.7
161.02449	100.0
161.06075	16.3
162.02789	3.6
163.04056	0.7
163.11308	1.3
165.09196	2.1
171.11806	2.7
173.09634	0.7
177.09064	0.5
179.03502	6.3
185.02531	0.7
189.12851	22.7
190.13179	0.8
191.10681	0.6
205.04893	1.2
207.14032	2.3
233.11690	0.7
238.06461	0.6
239.07098	1.4
251.09140	0.9
251.12872	26.6
252.13206	1.5
267.06561	1.7
295.05765	2.1
295.08237	5.5
295.11731	22.7
295.15225	0.9
296.12064	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	295.1187
Annotation	Amotin
Peak:m/z	Relative Intensity
55.01877	1.4
57.03455	9.9
59.01379	7.9
61.98809	1.5
66.33984	1.1
68.74017	1.3
69.03436	3.8
69.42426	1.2
70.52449	2.6
73.02930	3.9
73.66077	1.3
78.76934	1.0
80.96521	1.6
83.05023	7.5
85.02941	4.2
85.06582	2.0
87.04495	1.5
89.22638	1.2
93.03440	4.1
94.04194	1.4
95.01404	1.6
95.05028	28.8
97.02945	1.8
98.03733	2.2
107.05087	1.4
108.02087	1.5
109.02936	5.3
109.06564	3.6
111.04511	19.8
111.08159	2.7
113.02429	2.2
113.06083	26.1
115.03996	2.9
119.08654	1.5
121.06586	7.8
121.10167	1.3
122.03732	2.0
123.08166	5.6
124.05344	2.1
125.06049	1.1
129.07109	1.3
133.02963	2.4
133.05028	3.1
133.06567	3.5
134.07410	1.3
135.08150	3.3
137.06087	6.1
137.09692	4.0
138.06839	2.4
139.07664	7.0
147.08113	1.9
149.09720	12.5
150.00177	1.4
150.58409	1.2
151.07626	3.5
155.07162	2.8
161.02383	3.4
161.06078	8.8
163.11264	3.5
165.09227	9.0
171.11774	9.3
173.09688	2.9
174.03188	3.2
189.12834	87.6
190.13205	5.0
207.13916	9.3
221.06093	1.4
233.11717	2.2
238.06296	2.5
239.07034	5.7
251.12866	100.0
252.13234	7.5
267.06625	5.9
295.06436	12.5
295.11819	88.5
296.12231	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72388	0.9
57.03447	6.2
59.01382	10.4
60.89700	0.7
61.98822	1.5
67.01865	1.0
68.05664	0.8
69.03444	1.9
71.51977	1.1
72.99307	1.2
80.02668	1.1
81.03457	84.5
82.03796	1.2
83.05038	1.3
92.70074	0.9
95.05019	2.3
97.06583	15.8
108.02164	1.9
109.02930	2.6
123.08141	7.6
125.09723	100.0
126.10035	3.4
133.05063	0.9
135.04451	1.3
143.93504	0.9
169.08702	4.1
176.01132	1.2
187.09702	1.0
189.12903	2.0
191.84805	0.8
204.43796	0.8
205.05013	2.4
207.13812	5.0
223.13358	2.0
233.11946	4.1
251.12877	50.1
252.13167	3.1
277.07373	1.0
295.05981	2.5
295.11319	1.2
295.15347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09984	1.0
59.01382	14.8
61.98824	2.2
64.69643	0.9
71.52333	1.3
71.77332	1.1
79.95731	25.2
87.04513	100.0
88.04861	1.7
95.95205	5.6
96.96014	14.2
101.02445	1.4
132.11545	1.0
141.95763	3.9
163.04008	1.2
177.97833	1.0
179.03349	1.1
207.06950	91.5
208.07095	2.0
235.08162	1.2
295.12204	81.1
296.12469	4.4
298.70865	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10518	10.5
59.01378	90.5
61.61251	8.6
61.98832	16.7
69.14501	100.0
69.70907	9.3
134.03725	10.1
135.04562	50.0
148.48616	8.4
161.02486	9.8
175.04053	13.5
179.03487	37.4
185.02306	9.4
187.07602	17.3
209.11894	73.3
215.07018	21.0
219.10342	15.6
227.12944	82.1
233.08168	62.0
242.54495	9.3
295.06006	24.7
308.38959	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34473	0.5
59.01377	100.0
60.01698	1.0
60.53579	0.5
61.98839	1.8
63.45289	0.5
69.40006	4.0
71.01392	2.3
73.02965	0.5
84.05658	0.5
85.02985	0.5
92.40284	0.5
96.96024	0.7
101.02470	1.7
112.47449	0.6
119.05069	1.0
133.03043	0.5
156.70453	0.6
161.04579	0.8
161.06088	0.7
167.56744	0.5
205.05183	0.8
235.11829	3.3
295.22925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01722	1.0
61.98828	14.8
71.01384	4.3
71.50104	0.8
72.99323	1.1
73.02945	0.9
73.44088	0.6
74.98193	0.7
76.04976	0.6
85.02948	1.7
85.06612	0.8
87.00887	1.7
89.02444	1.6
93.03466	1.3
96.96010	1.2
101.02460	2.5
105.01916	1.6
113.02447	1.0
115.00388	3.4
119.05062	1.2
121.03000	1.0
123.04516	0.9
131.07121	1.9
133.01450	7.0
135.04558	2.0
143.10767	1.7
161.04729	1.5
161.06119	4.5
163.03976	1.1
163.07687	1.2
173.06102	0.7
175.04018	0.8
189.05641	0.8
191.07210	1.7
205.05109	1.2
207.10593	1.3
235.11955	3.3
259.08554	0.8
295.05515	0.8
295.08646	2.1
295.12775	7.5
304.81570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
59.01374	1.2
69.23609	5.3
86.99010	0.5
98.20703	1.2
113.09731	0.7
114.47995	0.7
125.38544	0.5
129.03490	0.6
142.58990	0.6
143.53653	0.6
155.62837	0.7
171.10236	8.1
181.12312	0.6
195.13887	9.7
208.72070	0.6
277.21701	21.4
278.22031	1.6
295.22763	100.0
296.23090	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	295.2276
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
53.09962	1.0
59.01375	17.3
59.25380	0.8
71.01392	1.9
71.52235	0.9
71.52631	1.4
101.02378	1.1
113.09734	1.4
157.08702	5.6
169.00375	1.0
178.94603	1.0
195.13898	24.6
196.14223	2.3
246.66179	1.0
277.21704	39.0
278.22098	2.9
295.22781	100.0
296.23132	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2275
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
51.91738	0.6
52.55710	0.5
57.03432	0.7
59.01370	1.1
61.96258	0.7
71.29780	1.1
81.76795	0.6
85.68600	0.7
88.17485	0.6
89.37495	0.5
113.09715	1.8
124.50186	0.6
126.04869	0.6
153.02806	0.5
171.10223	1.1
177.12781	0.6
179.14429	0.6
179.89658	0.5
195.13910	15.3
262.15414	0.6
276.09265	0.5
277.21677	14.2
278.22067	1.3
295.22760	100.0
296.23102	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
59.01382	2.5
71.01349	0.6
71.52554	0.5
83.05003	0.4
83.17484	0.5
99.08117	0.7
111.08156	0.4
113.09746	2.7
171.10262	1.2
179.14323	0.7
181.12318	0.7
183.13860	3.0
195.13901	23.9
196.14189	0.8
251.23775	0.6
277.21707	24.3
278.22104	1.2
295.22760	100.0
296.23080	8.7
300.00662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.97784	0.3
56.87907	0.3
59.01375	1.7
74.25093	0.3
83.05027	0.7
94.29813	0.3
96.96025	0.5
98.19879	0.8
98.95592	2.3
106.03970	0.3
109.06609	0.5
121.74547	0.3
127.11269	1.1
131.14717	0.4
139.27361	0.3
141.12856	8.6
142.02203	0.3
155.14397	3.5
170.18735	0.3
198.62869	0.3
228.95416	0.4
249.22214	9.4
250.22568	0.4
277.21631	1.3
279.40851	0.4
295.22760	100.0
296.23126	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1343
Annotation	Oligandrumin C
Peak:m/z	Relative Intensity
57.03444	2.9
59.01385	6.1
65.03965	16.4
67.01889	2.1
69.26593	5.7
69.27005	2.4
71.01369	1.0
77.38058	0.9
80.02643	1.1
81.03449	16.5
81.44930	0.9
83.05021	5.2
85.65266	0.9
87.00902	1.4
93.03452	1.9
96.95905	0.9
97.06580	3.7
98.98124	0.9
99.08121	1.3
106.04243	6.3
107.05029	2.2
108.08193	1.0
109.06573	1.9
111.08157	1.6
119.05007	1.1
123.08125	2.0
125.02428	1.1
125.08823	1.8
125.09718	25.8
126.14420	0.9
127.11255	1.3
137.09747	1.1
138.03201	2.2
145.02910	1.5
150.07170	0.9
160.56613	0.9
161.02356	1.3
163.11281	1.3
163.88591	1.1
166.08633	1.1
171.10252	19.6
181.15958	2.2
189.12868	1.8
191.03503	1.4
191.14403	13.0
196.06226	1.1
207.13831	3.3
209.11842	19.6
209.15440	16.5
210.15765	1.2
217.12338	15.7
225.14948	100.0
226.15297	5.5
235.13376	75.9
236.13838	4.9
253.14388	2.2
297.04254	2.3
297.10281	1.0
297.13385	25.1
297.16803	1.4
297.24362	2.4
298.13531	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	297.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98825	0.3
67.51735	0.3
70.83907	0.6
79.95756	1.2
90.15620	0.3
99.50871	0.3
119.05029	0.7
145.67722	0.3
170.00436	0.9
183.01199	45.2
184.01913	5.2
197.02769	2.3
198.03462	0.4
216.00935	2.9
225.05945	0.5
233.19153	0.3
239.07443	0.4
255.16194	0.3
297.15271	100.0
298.15619	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	297.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39326	0.2
61.98816	0.3
69.58215	1.4
79.95699	1.5
89.08689	0.3
98.19958	0.3
109.69888	0.2
119.05006	0.6
149.11107	0.2
158.66501	0.2
168.57550	0.2
170.00400	1.0
170.81473	0.3
183.01195	42.2
184.01907	3.9
191.80798	0.3
197.02815	1.7
198.03445	0.7
201.99232	0.4
216.00958	3.0
225.05864	0.5
230.02525	0.5
233.18961	0.4
296.82614	0.3
297.15268	100.0
298.12122	0.4
298.15576	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
58.14545	0.3
59.01374	1.9
61.98823	0.5
68.99559	0.5
69.88368	0.3
75.83061	0.3
81.08807	0.3
81.26556	0.3
83.38990	0.3
112.98576	0.9
125.09686	0.7
141.12816	1.0
147.13857	0.4
149.00946	0.8
155.10780	2.0
155.14380	0.5
166.40419	0.4
171.10262	3.1
183.01180	5.5
197.02713	0.4
216.00941	0.3
253.25346	1.1
279.23276	6.2
280.23535	0.5
295.22736	0.4
297.04739	1.2
297.15323	11.9
297.24329	100.0
298.04349	0.4
298.15494	1.0
298.24680	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	299.0772
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
52.84009	0.3
59.01378	1.5
61.98819	0.9
70.24560	0.3
70.88255	0.6
70.88599	0.3
71.01379	2.0
73.02952	0.7
79.08834	0.3
79.33471	0.3
79.67291	0.3
85.02950	1.0
93.03458	58.3
94.03787	1.2
95.01416	0.3
99.00924	0.3
101.02450	0.9
113.02477	0.8
123.03278	2.9
137.02443	100.0
138.02779	3.6
138.05606	34.3
149.29782	0.4
161.04486	0.4
165.04288	0.4
180.06621	0.5
208.62015	0.4
217.00340	0.5
240.04288	0.6
284.03247	5.8
299.05106	2.9
299.08414	0.7
300.10898	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0771
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01373	1.7
61.98537	0.4
61.98830	6.2
65.03969	0.3
70.98096	0.7
71.01362	0.9
78.95905	0.9
85.02937	0.5
87.47480	0.3
93.03456	84.0
94.03777	2.1
96.96976	0.5
101.02454	0.4
107.05010	0.3
120.99652	1.6
123.58128	0.4
137.02441	100.0
138.02757	3.8
141.37076	0.3
166.71300	0.4
190.99741	0.5
200.04684	0.4
201.02611	0.6
227.03455	0.4
240.04286	1.2
255.02834	0.4
283.02386	0.8
284.03232	9.5
285.03427	0.6
299.02539	0.7
299.05472	6.3
299.10931	0.4
300.06058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.09
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69560	1.6
59.01377	10.1
60.27121	1.8
61.98830	18.2
71.01385	4.1
71.50680	3.1
78.95902	6.8
81.63205	1.6
87.00860	1.7
88.04061	1.8
88.98811	1.8
93.03456	68.1
94.03822	1.8
101.02466	2.2
105.01951	1.7
127.61434	1.5
137.02441	100.0
138.02812	3.4
138.05623	2.9
200.04817	1.9
211.04074	2.1
227.03584	2.1
228.04073	2.2
240.04268	7.6
255.02953	4.4
283.02405	4.5
284.03226	61.7
285.03662	5.4
299.05557	36.8
299.08606	3.8
300.05792	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	299.259
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
55.01888	0.5
55.59059	0.5
59.53596	0.5
60.57394	0.5
60.58408	0.5
61.98823	0.9
62.44865	0.5
69.13900	3.0
69.14326	2.1
72.27436	0.6
80.76900	0.5
84.42591	0.5
103.96377	0.5
138.74939	0.5
190.24480	0.5
200.04843	0.5
201.05656	0.6
240.04279	0.9
249.22285	0.6
251.23796	3.8
253.25357	56.1
254.25699	5.1
281.24918	1.7
283.02444	0.6
284.03250	10.3
285.03549	1.4
299.05551	7.0
299.25897	100.0
300.05997	1.2
300.26230	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	300.0209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85313	0.3
53.04399	0.3
54.28452	0.3
59.01381	0.5
61.98829	100.0
65.75840	0.3
69.54707	1.6
69.55127	0.6
78.95889	0.5
88.04043	0.6
91.76178	0.3
100.52205	0.3
114.05623	0.5
115.00358	0.4
123.88025	0.3
137.02452	0.5
138.05592	0.4
139.04013	1.4
171.21445	0.3
218.10312	0.7
220.40125	0.3
285.03674	1.1
300.05930	0.5
301.10336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63795	0.2
58.31284	0.2
59.01385	0.9
61.98827	1.7
68.01429	0.4
69.62656	1.2
71.01385	0.4
71.76305	0.2
72.00918	0.3
93.03441	1.7
94.03783	1.2
95.05042	0.4
96.00925	0.2
108.94208	0.2
109.01740	0.5
122.02454	0.5
122.06153	0.3
123.03260	9.1
130.08719	0.3
137.02461	2.0
137.04797	0.7
138.02820	2.5
138.05609	100.0
139.05962	3.0
152.07172	0.5
165.04300	0.5
166.08743	0.3
167.05907	0.6
168.06651	0.2
180.06624	1.8
188.15097	0.2
210.07788	0.7
285.03622	0.7
300.05899	0.3
300.10886	7.8
300.15204	0.4
301.10873	0.3
301.21906	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00330	0.5
58.00563	0.3
59.01380	2.5
68.01408	2.6
68.44498	0.3
69.31156	0.5
69.31559	1.9
71.01388	0.9
80.60127	0.3
89.02457	0.5
96.04539	0.3
98.20586	0.5
98.21092	0.3
101.30151	0.2
109.01723	0.4
110.06080	0.3
113.02468	0.3
122.02473	0.8
122.06100	0.5
123.03266	5.4
123.04104	0.5
124.04043	0.3
124.07674	0.9
125.06148	0.3
130.08736	0.4
136.07672	0.5
137.04805	0.8
138.05605	100.0
139.05942	2.8
152.03531	0.3
152.07187	1.5
166.08768	0.4
167.05882	1.8
168.03719	0.2
168.06653	0.9
180.06648	5.6
210.07733	0.7
217.31726	0.4
240.08607	0.3
285.03455	0.7
300.05624	0.6
300.10876	17.8
301.11285	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43777	0.4
59.01377	90.5
60.01712	0.8
69.74073	0.4
69.85026	1.4
98.19973	0.6
114.98837	0.5
115.02514	12.0
116.02634	0.4
117.00442	6.8
125.42863	0.4
140.80055	0.4
141.00479	0.4
155.16330	0.4
156.93030	0.5
156.99893	1.1
157.03552	2.5
157.90810	0.6
158.00081	0.5
159.01485	100.0
159.97333	0.5
160.01614	6.7
187.14551	0.4
197.35413	0.4
201.02545	23.9
202.02742	1.7
217.00507	1.1
241.00560	0.5
257.03717	0.6
259.01633	2.6
301.02655	49.8
302.02844	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	301.0929
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
52.00613	0.2
53.92747	0.2
59.01350	0.3
61.98831	0.6
62.64779	0.2
71.49649	0.5
78.64558	0.2
88.81305	0.2
88.98785	0.2
93.03454	6.3
104.65144	0.2
104.69968	0.2
121.02947	7.7
122.03302	0.3
137.02388	0.3
139.04008	100.0
140.04358	3.1
151.19650	0.2
154.30620	0.2
165.01973	1.0
194.09019	0.2
262.01236	0.2
301.09305	3.2
302.09525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0928
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
50.39437	0.2
59.01382	0.5
61.98827	0.5
70.35609	0.8
71.01398	0.2
74.02465	0.4
75.47554	0.2
87.69680	0.2
93.03456	5.0
95.01318	0.2
101.02451	0.3
121.02959	7.8
122.03283	0.2
123.00883	4.0
124.01752	0.2
137.02455	0.7
138.03224	2.1
139.04007	100.0
140.04338	4.0
154.08371	0.3
165.01906	0.7
167.92970	0.2
171.78145	0.2
177.02049	0.2
181.05063	0.3
187.01857	0.3
200.29158	0.2
284.12537	0.3
301.09268	3.5
301.21692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.8
68.89048	0.2
69.82285	1.0
71.05051	0.2
75.00887	0.3
77.73363	0.2
80.02650	1.4
81.03433	1.0
83.01397	0.3
83.05025	4.5
84.02164	0.8
91.04009	0.2
93.03455	0.9
95.05019	0.6
98.19970	0.3
107.05036	0.3
109.06564	0.2
109.48567	0.2
125.06096	0.7
125.09702	0.3
135.08144	0.7
136.07700	0.3
137.48912	0.2
145.32602	0.2
152.02812	0.2
163.11261	3.3
165.12842	2.2
166.13133	0.2
181.12364	0.3
184.12285	0.2
191.10779	1.2
197.08167	0.2
209.11830	100.0
209.79398	0.2
210.12183	5.9
213.09125	0.8
227.12885	4.6
227.15080	0.2
228.13181	0.3
242.10045	0.2
257.13028	1.1
301.03458	0.3
301.07040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.6
65.91798	0.2
70.89124	0.3
70.89443	0.3
71.01376	0.3
71.76952	0.2
73.02924	0.2
80.02670	1.0
81.03480	1.0
83.01362	0.4
83.05021	4.4
84.02151	0.8
86.62421	0.2
88.00832	0.2
91.03986	0.2
93.03473	0.3
95.05032	0.5
125.06072	0.4
135.08185	0.3
151.00465	0.3
162.43127	0.2
163.11292	3.7
165.12830	2.3
181.12350	0.6
191.10768	1.1
199.13345	0.4
209.11807	100.0
210.12141	5.7
212.74463	0.2
221.80676	0.2
227.12865	5.8
228.13239	0.3
301.16629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00584	0.3
58.34772	0.2
59.01376	0.6
61.98838	0.3
66.48097	0.2
71.52183	0.4
80.02663	1.1
81.03432	0.7
83.01387	0.3
83.05016	4.6
84.02159	0.8
91.04044	0.3
95.05009	0.6
97.06501	0.3
102.18861	0.2
109.06591	0.5
111.08251	0.2
111.76131	0.2
125.06068	0.5
135.08162	0.5
142.88591	0.3
163.11272	3.6
165.12846	2.2
171.10117	0.3
181.12334	0.8
191.10768	1.1
199.13379	0.5
209.11807	100.0
210.12155	5.2
227.12881	5.5
228.13173	0.3
273.03723	0.3
275.94501	0.2
301.03250	0.4
301.06964	0.5
301.20062	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1659
Annotation	Viridamine
Peak:m/z	Relative Intensity
51.56521	0.2
54.64044	0.1
54.79668	0.2
60.97509	0.8
70.75002	0.3
70.75334	0.2
74.99078	0.6
75.65369	0.1
76.97030	0.2
118.96217	0.9
120.97729	0.2
134.99393	4.2
136.97307	1.5
141.07391	0.3
143.05325	1.4
145.01585	0.2
150.98817	0.3
159.08444	1.4
161.06384	5.1
201.04073	0.5
203.05647	2.5
204.05724	0.2
205.03522	0.9
215.05603	0.9
217.07188	79.4
218.07314	6.0
235.08449	0.2
237.32785	0.2
243.35703	0.2
261.06140	0.6
283.11899	0.5
283.15424	0.2
285.13452	33.6
286.13663	3.4
301.16577	100.0
302.16779	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1808
Annotation	16alpha-Hydroxyandrost-4-ene-3,17-dione
Peak:m/z	Relative Intensity
53.70457	0.7
53.73011	0.6
59.01367	2.5
61.98821	0.7
70.42670	1.4
70.43062	2.1
73.21937	0.6
76.82144	0.6
87.63995	0.7
102.89111	0.6
128.96666	0.6
150.46268	0.8
165.21817	0.6
234.07031	0.8
257.19254	0.9
271.17001	6.4
273.18561	1.0
275.20117	14.1
276.20471	1.1
286.03806	1.2
301.18082	100.0
302.18423	10.7
319.19238	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	301.2019
Annotation	Koninginin G
Peak:m/z	Relative Intensity
52.84850	0.6
57.03437	2.1
57.28680	0.6
59.01363	2.9
69.17838	3.2
69.18270	3.1
71.01398	1.0
80.03591	0.8
83.05006	0.7
96.95990	0.7
97.02964	0.7
111.08118	2.0
113.09698	1.2
125.09717	1.2
127.11313	1.8
141.12885	0.7
200.04761	5.3
201.09183	0.9
209.11790	2.9
221.19110	29.4
221.21277	1.6
222.19524	1.0
227.12851	1.4
229.08691	9.9
230.91556	0.8
239.20140	6.7
250.91127	0.7
257.21194	0.8
265.18079	19.7
266.18359	1.6
272.10602	1.5
283.19147	22.3
284.19452	2.1
286.03848	0.9
301.14441	8.1
301.20181	100.0
302.20456	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	301.2171
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
52.03608	0.2
70.07436	0.8
84.79365	0.2
93.31358	0.2
98.09607	0.2
98.19891	0.2
178.76135	0.2
257.22800	0.2
301.21698	100.0
302.22043	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2383
Annotation	CHEBI:79288
Peak:m/z	Relative Intensity
52.47000	1.0
59.01358	1.9
59.49587	0.8
71.52828	1.7
72.99306	35.8
75.00860	8.8
104.44829	0.9
117.75384	0.9
133.11046	0.9
217.07208	4.6
218.07130	1.0
225.22231	2.6
255.23270	2.1
285.13443	1.7
301.16705	7.2
301.23834	100.0
302.16888	1.9
302.24200	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	302.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01381	4.3
61.98775	0.6
70.88093	1.2
71.05005	0.7
73.02950	0.6
73.22127	0.5
74.02469	28.9
81.03459	1.1
83.01403	0.6
83.05017	5.9
84.02164	1.9
87.54914	0.5
95.05009	0.9
97.06622	0.7
113.06081	0.7
115.03999	0.9
125.06081	0.9
135.08183	0.6
163.11305	4.7
165.12837	2.3
191.10815	0.9
209.11810	100.0
210.12132	5.5
225.11342	0.5
227.12871	45.6
228.13182	3.1
259.15515	0.6
285.13367	1.4
302.16000	0.7
303.14502	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	303.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73273	3.0
57.03441	7.3
58.00589	5.8
59.01378	66.8
69.03446	3.5
69.40248	6.5
69.40646	20.6
71.01380	50.6
71.67702	3.3
72.99299	14.8
73.02957	4.1
75.00854	7.3
89.02444	19.6
96.95977	3.2
97.06571	12.3
101.02444	13.9
112.98795	3.9
113.02417	4.4
117.01930	5.4
121.06626	3.9
124.01658	3.2
125.09702	5.6
127.11259	4.3
133.40218	4.1
135.02994	3.9
136.07742	3.8
137.09705	7.9
139.07643	7.1
139.11307	8.8
142.99846	30.7
149.06055	5.6
153.05664	3.4
153.09145	4.2
155.10760	86.8
161.54051	4.2
167.07137	16.5
167.10722	15.9
171.10300	31.7
173.00847	10.1
174.01660	8.4
181.08675	4.1
185.11809	100.0
195.10233	14.9
199.09720	22.0
199.13367	4.8
201.11311	7.3
213.07701	3.3
213.11299	82.8
214.11609	5.1
217.08836	6.1
217.10782	83.8
225.07718	9.2
225.11305	9.3
229.10739	9.2
232.42804	3.4
238.33710	3.2
241.50473	3.1
243.12347	5.5
255.12512	5.7
259.11905	17.2
273.04184	4.9
285.08960	3.4
288.06372	5.1
289.75320	3.5
303.09058	10.4
303.14438	34.2
303.19647	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	303.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23733	4.8
59.01383	31.4
61.17661	5.0
61.98824	10.3
69.44075	30.6
103.54156	5.0
105.02768	5.0
120.99676	6.1
130.66100	5.7
130.70282	5.5
155.10771	100.0
171.10234	24.9
199.09732	49.5
217.10777	95.3
259.11954	27.2
302.39267	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	303.1448
Annotation	Urechitol B
Peak:m/z	Relative Intensity
59.01378	14.2
67.03883	0.4
71.01357	0.5
71.51881	0.5
71.52248	0.5
71.76850	0.4
73.02941	0.5
80.02702	0.5
81.03453	1.6
83.05024	10.7
95.05017	1.9
100.97726	0.4
108.04525	0.4
116.04961	0.4
122.06137	1.9
124.07684	1.5
136.07704	2.1
137.09680	0.4
139.11264	0.4
139.29947	0.4
151.11304	2.0
153.12872	2.5
155.10757	0.7
155.14478	0.4
163.11295	2.0
168.06667	2.0
177.12834	2.6
179.10834	0.6
179.14406	18.4
180.14740	0.9
181.12331	25.9
182.12640	1.2
197.15462	9.5
198.15811	0.5
199.13380	14.9
201.11336	1.3
223.13356	2.1
225.11288	0.8
241.14426	15.7
242.14737	1.0
243.12355	36.2
244.12752	2.4
252.39116	0.4
261.13376	0.9
267.12332	1.8
285.13434	9.1
286.13644	1.0
296.25797	0.5
302.09796	0.4
303.14462	100.0
304.14795	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	303.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60883	1.3
55.63240	1.4
57.03436	4.1
58.00596	3.8
59.01376	63.1
60.99279	1.4
70.63934	3.2
70.64287	2.7
71.01378	50.4
72.99291	7.5
73.02946	5.1
75.00873	5.9
83.05023	1.6
84.96732	1.3
85.02946	4.3
86.35738	1.3
87.00909	1.9
88.44142	1.3
89.02441	16.5
95.05031	2.0
97.06576	3.2
99.00901	2.8
101.02445	11.6
108.02183	1.8
109.06554	2.0
111.08180	2.7
112.98798	2.1
113.02469	7.8
117.01935	3.7
117.05180	1.4
123.08131	2.7
125.06049	2.9
125.09750	3.4
127.11291	10.1
131.03522	2.1
137.09715	4.6
139.07701	2.0
139.11307	14.7
142.99876	9.4
149.06090	1.8
149.09708	2.0
151.11282	4.7
153.09155	2.4
153.12819	4.2
155.10774	42.8
156.11081	1.8
157.12317	2.3
163.11238	3.5
165.09222	3.2
167.07098	3.8
167.10767	20.2
171.10265	23.8
173.00858	2.4
174.01695	3.4
179.14360	2.3
181.08783	2.6
181.12373	10.6
183.10295	10.5
183.47670	1.5
185.11815	84.2
186.12149	5.6
195.10231	11.8
199.09732	11.3
199.11632	2.2
199.13376	19.8
201.11316	17.6
207.10269	5.1
213.11302	100.0
214.11664	4.7
217.10782	23.5
221.11861	4.6
225.07661	3.9
225.11308	12.0
227.13013	2.3
239.12886	2.3
241.14494	2.1
243.12334	28.5
244.12613	2.0
249.11368	5.1
259.11743	9.3
261.13385	18.8
267.12427	3.1
288.06464	2.0
303.09106	3.2
303.14505	32.5
304.14911	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	303.1963
Annotation	ent-15-Nor-14-oxo-8(17),12E-labdadiene-18-oic acid
Peak:m/z	Relative Intensity
59.01374	0.2
70.69942	0.5
84.49901	0.2
101.34129	0.2
146.74432	0.2
168.13870	0.2
189.12819	0.2
303.19623	100.0
304.19986	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	303.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	5.2
64.32246	0.3
69.58799	1.3
69.59209	0.6
85.65994	0.2
121.02896	0.3
122.58953	0.3
149.94868	0.3
164.21387	0.3
168.13930	13.5
212.12859	0.4
214.65628	0.3
218.51978	0.3
240.90262	0.3
246.38411	0.3
303.19617	100.0
304.19958	9.5
304.23441	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02971	0.2
58.80217	0.2
59.01373	0.5
61.98823	0.3
69.75870	1.2
78.75208	0.2
98.20055	0.3
168.13881	1.1
211.45387	0.2
215.07990	0.2
303.19623	100.0
304.19971	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	303.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.1
60.99289	1.1
69.52181	2.5
85.72859	0.4
143.52164	0.3
144.74947	0.4
166.01064	0.4
190.79218	0.4
220.61497	0.4
232.11816	0.3
240.38487	0.4
243.17485	1.0
259.20636	14.1
260.21063	1.1
277.21686	5.7
278.22037	0.5
303.19626	100.0
304.19962	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	303.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85295	0.2
59.01369	0.4
61.98814	0.2
67.81867	0.2
69.17709	0.7
69.18134	1.2
78.05534	0.2
82.77287	0.2
93.46418	0.2
168.04860	0.2
187.15346	0.2
285.18588	0.2
303.19629	100.0
304.19971	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	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
59.01382	0.6
62.71173	0.4
69.18364	1.8
69.18805	2.3
79.95759	0.5
88.73978	0.4
88.87849	0.4
97.28117	0.4
129.09933	0.4
197.76695	0.4
303.23282	100.0
304.20193	0.9
304.23624	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47565	0.3
53.42669	0.3
58.02973	38.1
59.01365	0.3
60.30916	0.3
69.50185	0.3
70.74973	0.7
73.10949	0.3
96.85519	0.3
168.13927	100.0
169.14270	5.1
212.12943	3.2
304.19150	1.1
305.21039	0.9
314.79532	0.3
315.59396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1605
Annotation	Creoside II
Peak:m/z	Relative Intensity
57.03448	1.0
59.01381	5.2
61.98840	2.3
63.09441	0.5
65.16531	0.5
69.03440	0.9
69.17166	0.4
69.23325	4.1
71.01380	2.8
71.05019	4.6
72.97062	0.5
73.02939	2.1
81.03432	0.6
83.05021	2.2
85.02954	0.6
87.04509	1.4
91.01135	0.4
95.05021	0.5
96.96004	9.4
97.02997	0.7
97.06614	3.5
99.04519	1.3
99.08163	3.2
101.02405	0.6
101.06061	2.8
109.06600	0.6
113.09756	0.9
115.04041	1.0
115.07652	1.8
120.78854	0.5
120.99628	0.7
123.08157	2.0
125.06046	2.3
125.09716	0.5
139.07664	0.6
141.09215	5.1
143.07135	18.1
144.07474	1.0
145.05090	0.8
153.09183	0.6
154.14441	0.5
157.08685	1.7
159.06636	1.2
159.10248	1.7
169.08664	1.4
183.49719	0.6
200.53380	0.5
207.13876	2.0
223.13350	1.1
225.14922	2.7
227.12900	0.6
243.16002	9.5
245.13989	1.3
251.12817	1.5
261.17023	2.7
269.13919	5.4
273.49786	0.6
287.14999	17.3
288.15402	1.5
305.11096	4.5
305.16031	100.0
306.16388	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	305.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60135	0.4
57.03424	0.8
57.54258	0.3
59.01383	4.5
61.98795	0.5
69.03446	0.6
70.26336	1.4
71.01370	2.7
71.05019	5.0
73.02955	2.0
81.03450	0.5
83.05006	2.2
87.04506	1.6
96.96009	5.3
97.06583	3.7
99.04524	0.6
99.08150	3.0
101.06077	3.7
109.06569	0.8
111.08123	0.7
113.06074	0.5
115.04053	0.5
115.07635	1.8
123.08157	2.6
125.06107	2.8
125.09710	0.6
127.07745	0.5
141.09201	5.8
143.07132	18.9
144.07489	0.5
145.05031	1.2
157.08685	1.8
159.04503	0.4
159.06593	1.1
159.10191	1.3
169.08676	1.7
189.12802	0.5
192.61102	0.5
207.13959	2.5
223.13460	0.8
225.14937	3.8
243.15988	10.6
243.18286	0.8
244.16386	0.8
245.13985	1.3
251.12918	1.1
261.17075	3.4
269.13934	7.5
270.14160	0.7
287.14981	17.6
288.15265	0.9
305.10461	3.5
305.16031	100.0
306.16382	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	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35032	1.0
57.03450	1.2
59.01385	5.4
69.03450	1.7
70.37212	1.0
71.05016	49.8
71.51553	1.8
72.05339	1.2
77.40063	1.0
80.02654	1.0
81.03453	4.3
83.05003	2.6
93.03436	2.3
95.05022	22.5
97.06590	1.3
104.95345	0.9
106.04241	3.5
107.04985	2.4
107.08701	1.0
109.02929	2.6
109.06599	19.2
110.03709	1.2
111.04499	2.9
119.05008	1.5
121.06616	6.8
122.03738	1.5
123.08121	1.7
127.07677	1.9
135.04398	1.4
135.08144	3.3
137.06053	1.2
139.07671	1.1
147.04483	2.9
147.08110	3.8
149.06140	1.7
150.06947	2.1
153.09155	1.6
161.06064	4.3
161.09679	1.6
165.09193	16.5
175.07597	1.4
189.12834	19.3
190.13226	1.5
205.15942	12.0
231.13875	3.3
233.11827	9.6
243.17506	13.2
244.17813	1.3
245.15408	1.6
249.14967	13.5
250.15129	1.0
251.54240	1.1
261.18600	2.9
269.15405	3.7
287.16504	91.7
288.16864	7.7
305.17542	100.0
305.20306	4.3
306.17844	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	0.7
57.03430	0.6
59.01374	1.3
65.03955	1.2
69.68941	2.8
71.05045	2.7
79.05539	5.3
83.05037	0.7
91.05544	2.6
93.03414	0.7
95.05027	0.9
97.06584	8.0
106.04247	7.0
107.05030	0.8
107.08657	1.3
109.06586	1.5
116.91128	0.5
117.07113	2.6
119.05019	2.4
120.05803	2.8
121.06551	2.2
123.08154	3.8
125.09723	11.3
135.08162	51.3
136.08476	2.1
137.09724	1.0
151.11255	1.4
161.06071	1.3
161.09592	0.7
162.06926	0.7
163.11244	1.0
171.10298	0.9
183.10274	0.9
185.11806	1.9
189.12837	1.3
205.15962	2.4
207.10281	1.2
209.11790	0.6
221.11832	0.7
237.14842	0.5
243.17598	1.4
249.14938	20.3
250.15211	0.9
261.14926	1.0
263.16476	1.8
269.15387	2.5
276.13763	0.6
287.16522	9.4
288.16663	0.8
304.68915	0.6
305.17554	45.9
305.21198	100.0
306.17899	3.8
306.21506	9.8
306.24799	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
58.06929	0.5
59.01370	1.3
61.98823	0.8
67.04964	0.6
69.20558	0.9
69.20953	4.8
84.53819	0.6
95.05030	0.7
97.06596	2.8
105.03439	1.6
106.04158	0.6
121.02952	6.4
123.08115	1.7
125.09715	12.3
127.11270	0.9
133.06584	1.9
135.08157	2.3
143.10815	0.9
147.08186	0.7
153.09137	0.8
158.07367	3.4
159.08093	2.7
160.85973	0.6
161.06091	1.6
162.06885	0.7
171.10258	21.5
172.10555	1.0
233.31729	0.6
243.17485	1.7
261.18713	1.2
269.15350	0.7
275.16321	2.8
277.18030	5.1
287.16504	40.0
288.16760	3.3
305.17569	100.0
306.17978	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.4
59.01372	3.4
67.02963	0.9
70.58397	2.1
71.04994	1.6
81.03470	1.3
81.25245	1.0
83.05028	1.1
91.05530	16.9
95.05028	1.5
97.06598	5.2
103.55827	1.0
105.07114	1.2
106.04242	26.2
107.08663	7.0
109.06588	1.9
117.03373	0.9
117.07108	18.9
119.05016	18.5
121.06572	2.7
123.08173	3.6
125.06100	1.5
125.09728	36.3
133.06595	1.2
135.08160	94.3
136.08490	3.6
136.10161	1.0
143.04976	1.6
153.09229	2.3
158.07327	1.6
158.87239	1.0
161.06076	3.1
171.10283	2.6
185.11810	6.8
189.12907	1.1
206.13138	1.0
219.17783	1.0
241.16048	1.3
243.17468	5.2
249.15030	3.6
250.12263	1.6
259.02884	1.1
261.14896	8.9
269.15411	10.5
277.18027	4.7
287.16522	36.7
288.16809	3.9
305.17593	100.0
305.21152	8.0
306.17944	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
50.10616	0.4
57.03448	1.7
58.69455	0.4
59.01389	2.0
61.98842	0.5
67.69450	0.4
69.22805	3.9
70.83153	0.4
71.01373	0.5
75.32611	0.4
83.05032	0.8
87.42964	0.4
91.05537	10.6
93.03467	0.5
93.07116	0.5
95.04999	0.8
97.06587	4.9
106.04246	13.6
107.08657	4.6
108.79242	0.4
109.06546	0.7
117.07105	8.8
119.05025	10.3
119.08690	0.4
120.05788	1.5
121.02945	1.4
121.06598	1.1
123.08171	3.0
125.09718	22.2
126.10065	0.8
133.06541	1.0
134.07362	0.8
135.08162	63.1
136.08493	1.8
137.09749	0.4
143.05074	0.8
153.09229	1.0
158.07362	0.7
159.08150	0.8
161.02434	0.5
161.06079	17.1
162.06493	0.7
163.11293	0.7
164.73964	0.4
166.06308	0.6
171.10287	3.5
185.11813	4.0
191.14369	0.8
207.13855	0.5
214.13734	0.7
217.15935	1.1
221.59155	0.4
229.05121	0.9
231.17369	0.5
233.19077	0.5
241.15930	0.7
243.17471	3.8
245.15385	0.5
249.14980	1.0
259.17053	0.8
261.14987	6.7
261.18439	3.2
262.15189	0.5
269.15460	7.3
270.15692	0.7
275.16486	1.3
276.13715	0.4
277.18091	7.2
287.16519	29.2
288.16736	2.6
305.17566	100.0
306.17953	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.8
64.59354	0.6
70.58310	0.6
77.27834	0.6
90.99556	0.6
109.67764	0.7
139.15921	0.6
147.80254	0.7
161.35173	0.7
180.06483	0.6
239.67564	0.7
259.20685	1.0
261.22205	6.6
262.22586	0.8
277.21689	9.5
278.22128	0.9
305.21182	100.0
306.21515	8.5
313.17267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
50.10394	0.4
59.01374	0.6
61.98838	0.5
64.93048	0.4
70.06486	0.8
70.06847	1.4
71.01364	0.8
75.56910	0.4
82.75203	0.4
98.20575	0.5
127.07610	0.7
136.39424	0.4
180.35008	0.4
240.06573	0.5
303.23227	0.5
305.24832	100.0
306.25140	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	306.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.1
61.98827	100.0
62.01861	0.6
62.84945	0.6
65.36420	0.7
65.78832	0.7
69.27673	5.7
71.01383	1.4
73.02938	0.7
73.14173	0.7
82.99827	0.7
83.48139	0.6
84.38054	0.6
88.83400	0.6
91.65780	0.6
97.19241	0.7
105.78020	0.6
119.05981	0.6
139.11224	1.1
151.50081	0.8
181.12340	0.9
183.10321	1.9
187.07643	3.5
202.06372	1.4
213.09222	0.8
215.20784	0.6
220.30836	0.6
225.11345	0.9
231.10347	0.8
243.12361	12.1
263.12766	3.1
307.11966	1.6
307.86453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.9755
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41253	0.4
54.74292	0.4
58.29551	0.4
59.01369	0.6
61.98828	100.0
63.99242	0.8
70.42353	0.4
70.67492	0.6
70.67825	0.9
71.01385	1.0
71.27392	0.6
71.58354	0.5
93.63713	0.4
103.04020	0.7
132.89380	0.4
161.98933	1.5
162.98804	0.9
163.98680	2.0
164.96387	53.8
165.96504	3.2
206.97446	20.1
206.98860	0.3
207.97572	1.2
230.38759	0.4
247.08224	0.5
306.97452	17.5
306.99969	1.0
307.97595	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	307.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24135	0.4
53.52033	0.4
54.17091	0.4
57.03440	0.7
59.01380	11.1
59.40154	0.4
61.98833	1.0
70.64391	1.2
71.01387	6.1
72.00926	0.7
72.99303	0.5
73.02952	1.5
74.02480	0.6
75.00861	0.7
80.96516	0.6
81.03455	0.9
83.01422	0.5
85.02457	1.0
85.02952	15.7
86.03304	0.6
87.00877	1.9
96.96013	1.1
97.06624	0.6
101.02433	1.2
103.04005	2.6
105.03458	1.0
109.02930	1.4
111.00850	0.7
112.00397	0.8
113.02474	0.7
117.03432	0.4
120.99641	1.2
125.09693	0.6
127.03996	1.2
132.02184	1.0
133.02956	34.1
134.03807	2.4
135.04523	36.8
136.04845	1.3
137.02440	2.2
139.03958	0.6
143.07141	1.9
149.06026	1.0
153.09190	0.9
157.05055	2.0
161.02435	100.0
162.02797	4.1
164.07300	0.6
169.08676	1.1
175.03996	0.9
177.01926	2.0
177.05525	2.4
178.02669	3.0
179.03491	31.3
180.03831	1.7
192.04370	0.5
197.08180	0.7
203.03514	4.1
215.09264	4.0
216.09343	0.5
220.04402	0.7
221.04562	0.9
233.10255	0.9
245.08063	0.9
247.08249	1.0
265.12885	0.6
271.98465	0.5
277.08240	1.6
289.07144	4.3
307.08224	53.6
307.13626	6.5
307.17593	1.7
308.08478	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	307.0822
Annotation	Dihydrofusarubin
Peak:m/z	Relative Intensity
59.01376	5.6
64.20576	0.4
67.46760	0.5
70.69956	1.1
71.01369	2.9
72.99287	0.5
73.02953	1.1
73.04068	0.5
74.32571	0.4
81.03461	0.5
85.02948	13.1
87.00864	1.9
89.02445	0.7
97.06576	0.7
99.04540	0.7
103.03979	0.7
109.02959	0.9
120.99628	0.9
127.04038	1.1
132.02162	1.0
133.02948	28.8
134.03780	1.1
135.04523	25.3
136.04842	0.8
137.02408	2.3
143.07178	2.5
149.06038	0.7
153.09210	1.1
157.04994	0.5
161.02431	100.0
162.02774	4.9
169.08710	1.0
177.01945	0.6
177.05545	1.8
178.02708	1.7
179.03487	22.3
180.03813	0.7
203.03506	4.3
215.09204	7.5
215.11140	0.7
221.04616	1.5
222.04825	0.5
233.10336	1.0
245.08083	0.6
247.08397	0.6
277.08249	1.8
289.07129	3.9
307.08212	52.2
307.13733	14.1
307.17691	1.2
308.08569	4.1
308.14285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48364	1.5
55.28729	1.8
59.01381	9.2
61.45710	1.9
61.98807	3.2
70.51927	2.3
70.52280	4.7
71.01375	15.0
72.00909	2.5
72.04543	24.7
87.05626	11.2
88.04038	15.3
91.05524	14.8
97.04039	5.8
99.05647	2.8
100.04046	100.0
101.04410	1.9
103.03987	6.4
109.04035	3.6
114.01960	4.4
115.05128	91.7
116.05491	3.2
118.06608	4.3
134.03705	3.9
135.04506	5.0
144.03017	51.0
145.03380	2.0
147.04507	6.3
157.05057	3.7
158.03726	3.9
159.04492	6.7
161.02472	3.5
172.05289	3.3
173.05968	4.2
175.07553	1.7
176.07162	17.8
177.07437	1.8
178.54857	1.8
179.03358	1.9
187.03946	4.9
187.07632	25.2
192.86246	1.8
201.05452	4.7
201.10381	11.2
202.06320	10.2
203.10753	3.3
209.13556	1.7
213.09117	4.8
215.07079	2.7
217.08536	3.3
219.11256	5.3
220.06052	4.8
231.10214	23.9
232.10408	1.9
235.04170	2.3
235.10875	54.7
236.11162	2.4
245.09319	26.1
247.08192	2.4
252.80620	2.3
261.08710	5.1
263.10287	17.6
263.12903	6.5
275.09225	22.5
289.08228	4.6
307.02304	2.8
307.09048	4.9
307.12207	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	307.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.0
63.17044	0.6
65.03970	1.8
65.22705	0.6
69.40333	4.9
71.01385	7.2
73.55566	0.6
84.72479	0.6
93.03442	0.7
97.06586	7.1
103.04003	4.7
105.03475	1.3
106.04243	1.9
121.02949	2.1
121.06592	2.4
125.09705	2.1
133.02956	15.5
134.03738	78.8
135.04575	12.1
137.02444	13.5
139.03999	3.3
140.04369	0.8
150.03172	1.6
157.05060	2.8
161.02359	1.0
162.03215	1.9
176.99628	0.8
177.01924	23.6
178.02701	100.0
179.03372	8.5
185.11819	2.2
203.38815	0.7
209.11884	0.8
213.09161	0.9
231.10236	2.0
235.13420	2.5
247.08167	2.1
275.09280	4.9
289.10815	0.8
289.17957	2.1
307.11929	1.5
307.18811	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	307.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.7
67.93002	0.9
69.83061	5.4
71.01381	14.0
85.02978	1.1
93.03435	2.8
94.06818	1.0
95.49081	1.2
97.06584	6.9
99.58278	1.1
103.03993	8.5
106.04237	1.4
107.05032	1.2
109.06554	2.0
121.02940	4.6
133.02953	16.0
134.03741	100.0
135.04543	29.0
137.02422	10.3
139.03989	4.6
150.03175	2.1
157.05019	5.3
161.02454	2.9
162.03175	2.4
162.86916	0.9
165.05531	1.9
177.01913	23.7
178.02699	98.3
179.03491	19.5
185.11801	1.5
197.11765	1.1
227.07088	1.6
231.10237	2.3
247.08212	3.3
264.16022	1.2
275.09146	6.6
289.10956	1.1
289.17996	4.9
307.02646	2.2
307.11801	2.4
307.19028	8.0
307.22333	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	307.1186
Annotation	11beta-Hydroxycurvularin
Peak:m/z	Relative Intensity
54.16698	0.3
57.03440	0.5
59.01381	1.2
67.07443	0.3
71.01387	1.9
71.51245	0.5
72.78632	0.3
97.06599	7.2
103.03988	0.8
105.03479	0.6
106.04240	0.8
111.54471	0.3
121.03014	0.5
125.09830	0.4
133.02946	4.4
134.03737	100.0
135.04581	9.7
137.02437	1.3
157.05049	0.9
177.01915	6.3
178.02704	20.9
179.03444	1.6
231.10269	2.7
242.78529	0.3
243.68967	0.4
245.19226	0.4
247.08290	0.5
275.09265	4.2
289.17975	0.9
306.12698	0.3
307.11853	29.8
307.19113	2.8
308.12161	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
61.98808	0.9
69.32332	2.7
69.32764	3.6
71.01382	10.0
74.99063	4.9
79.30969	1.0
84.89255	0.8
91.02204	2.2
93.00137	1.6
97.25020	0.9
98.19940	1.9
103.04014	6.0
110.07748	1.1
136.62108	0.8
145.54524	0.8
149.00890	1.4
157.05038	3.7
159.08447	7.7
161.06413	1.5
174.49783	0.9
206.99567	0.9
209.01276	2.6
223.02808	51.1
224.02858	4.9
247.08188	3.4
289.07462	1.3
289.18100	1.6
291.09076	100.0
292.09207	12.0
307.12091	3.3
307.19180	3.5
307.22595	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	307.122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
62.17394	0.5
66.41052	0.4
71.01380	2.0
71.29608	0.8
72.19718	0.5
74.23940	0.4
74.99066	7.0
91.02203	3.5
93.00137	1.3
95.05206	0.4
103.04010	1.2
143.05330	0.6
149.00912	3.2
159.08463	7.5
160.08655	0.5
161.06398	1.5
201.85217	0.4
206.99675	1.6
209.01241	2.7
217.07216	0.5
223.02817	48.6
224.02948	4.3
247.08344	0.5
249.58632	0.5
275.05923	0.5
289.07709	2.1
289.18045	1.0
291.09082	100.0
292.09204	11.7
307.12262	3.9
307.15225	0.6
307.19177	2.0
308.12292	0.5
309.10144	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03442	0.8
58.00577	1.5
59.01378	38.1
61.98813	1.1
62.24010	0.5
70.25724	1.1
70.26094	1.2
71.01379	22.8
72.94664	0.6
72.99303	2.3
73.02939	1.2
75.00890	0.5
80.96515	0.8
83.01371	2.0
85.02947	4.9
87.00874	1.7
89.02440	18.3
95.01373	1.5
98.20262	1.5
99.00891	0.9
99.08157	22.3
100.08454	0.9
101.02446	12.1
103.03996	2.6
113.02448	6.5
119.03498	7.6
120.46924	0.5
127.07648	5.0
128.46243	0.6
129.09247	2.0
133.02972	0.9
135.04523	1.7
136.59555	0.5
141.09187	1.9
145.08702	60.2
146.09048	2.1
150.76688	0.5
157.05067	1.6
159.65300	0.6
161.02431	0.8
161.04495	0.7
170.90247	0.6
179.03441	0.9
179.05611	1.0
187.09787	1.4
210.01654	0.6
219.02887	0.8
247.08130	0.9
266.03070	0.5
307.13968	100.0
308.14304	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	307.1397
Annotation	NSC-224070
Peak:m/z	Relative Intensity
54.42019	0.7
56.28228	0.7
56.77788	0.7
58.00589	1.7
59.01378	36.8
69.54534	4.2
71.01009	1.3
71.01381	19.5
72.99300	2.2
73.02970	0.9
81.56491	0.9
83.01378	1.0
85.02942	3.8
87.00875	1.5
89.02443	15.5
95.01369	1.1
96.96008	1.2
98.20514	1.4
98.95572	2.7
99.08156	16.4
101.02440	11.6
113.02443	6.4
119.03493	6.7
127.07671	4.0
129.09216	1.5
133.02946	1.3
135.04469	1.2
141.09163	2.4
145.08702	56.5
146.08994	1.8
157.05078	1.0
179.03502	1.4
187.09747	1.7
227.83270	0.9
259.17850	0.8
307.13953	100.0
308.14294	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	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.00586	0.7
59.01376	14.8
61.98818	1.0
69.03418	0.6
71.01375	11.6
71.21317	0.8
72.00865	0.6
72.99310	3.4
73.02940	4.5
73.04056	2.3
76.65186	0.5
81.03439	1.0
85.02459	1.2
85.02944	17.3
85.04060	0.9
86.02473	1.0
87.00875	2.9
89.02451	2.9
95.05010	0.7
96.96014	1.5
97.06577	1.9
99.00851	1.5
99.02000	1.2
99.04520	1.9
99.08169	0.7
101.02452	1.9
101.03564	2.0
103.04002	3.2
105.03484	1.2
109.02931	1.2
110.35188	0.6
112.00418	2.8
113.02440	1.1
114.35717	0.6
119.03495	0.6
120.99643	1.7
121.02948	1.3
123.08121	0.6
125.06048	2.4
125.09701	2.4
127.04017	1.9
129.03050	0.6
132.02130	1.1
133.02948	35.1
134.03683	1.9
135.04518	33.9
135.08099	0.7
136.04810	1.7
137.02411	1.7
139.03973	0.7
141.09222	0.7
143.06006	1.0
143.07126	14.8
147.04494	0.8
149.06058	1.5
151.07620	1.2
153.09198	8.1
157.05054	2.2
161.02429	100.0
162.02780	4.0
163.04106	0.8
164.07138	1.1
169.08676	8.6
171.10220	3.0
175.03995	1.4
177.01924	2.6
177.05551	2.1
178.02708	3.6
179.03494	28.4
180.03810	1.2
184.09402	0.7
197.08147	2.3
203.03429	4.5
215.09219	43.5
216.09541	1.4
221.04585	1.6
233.10344	7.6
245.08257	0.7
247.08212	1.9
261.73151	0.6
265.12991	0.8
277.08246	9.4
289.07297	3.9
289.12848	0.8
298.95605	0.6
307.08286	53.7
307.14014	63.6
307.17517	4.5
308.08682	3.8
308.14368	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
58.00586	0.7
59.01376	14.8
61.98818	1.0
69.03418	0.6
71.01375	11.6
71.21317	0.8
72.00865	0.6
72.99310	3.4
73.02940	4.5
73.04056	2.3
76.65186	0.5
81.03439	1.0
85.02459	1.2
85.02944	17.3
85.04060	0.9
86.02473	1.0
87.00875	2.9
89.02451	2.9
95.05010	0.7
96.96014	1.5
97.06577	1.9
99.00851	1.5
99.02000	1.2
99.04520	1.9
99.08169	0.7
101.02452	1.9
101.03564	2.0
103.04002	3.2
105.03484	1.2
109.02931	1.2
110.35188	0.6
112.00418	2.8
113.02440	1.1
114.35717	0.6
119.03495	0.6
120.99643	1.7
121.02948	1.3
123.08121	0.6
125.06048	2.4
125.09701	2.4
127.04017	1.9
129.03050	0.6
132.02130	1.1
133.02948	35.1
134.03683	1.9
135.04518	33.9
135.08099	0.7
136.04810	1.7
137.02411	1.7
139.03973	0.7
141.09222	0.7
143.06006	1.0
143.07126	14.8
147.04494	0.8
149.06058	1.5
151.07620	1.2
153.09198	8.1
157.05054	2.2
161.02429	100.0
162.02780	4.0
163.04106	0.8
164.07138	1.1
169.08676	8.6
171.10220	3.0
175.03995	1.4
177.01924	2.6
177.05551	2.1
178.02708	3.6
179.03494	28.4
180.03810	1.2
184.09402	0.7
197.08147	2.3
203.03429	4.5
215.09219	43.5
216.09541	1.4
221.04585	1.6
233.10344	7.6
245.08257	0.7
247.08212	1.9
261.73151	0.6
265.12991	0.8
277.08246	9.4
289.07297	3.9
289.12848	0.8
298.95605	0.6
307.08286	53.7
307.14014	63.6
307.17517	4.5
308.08682	3.8
308.14368	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52038	1.2
57.03421	2.5
59.01378	10.4
69.71929	6.1
71.01383	9.0
76.06407	1.4
83.05020	2.5
97.06599	1.9
98.03721	2.2
99.08175	2.2
103.03981	4.4
103.36373	1.3
105.10265	1.6
109.06556	1.9
119.08693	1.3
123.08163	2.6
125.09694	1.9
127.07636	16.0
137.09711	2.9
138.06883	1.5
151.11317	7.9
155.10735	2.5
157.05020	2.5
163.11270	1.8
177.12849	3.4
179.10799	1.5
191.02931	1.5
191.14417	4.2
193.12244	1.4
195.13878	1.7
205.12328	1.8
223.13332	3.1
239.09131	1.7
245.19078	21.5
246.19374	2.2
247.08318	1.7
252.13580	2.0
263.20206	6.5
271.17139	2.4
279.19604	2.2
289.18079	55.6
290.18390	5.4
307.19128	100.0
308.19513	10.5
325.51614	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34362	1.4
55.01880	2.0
56.98733	1.4
57.03438	5.1
59.01363	4.9
59.31558	1.2
61.42767	1.2
65.03962	19.3
66.11017	1.1
69.86794	6.0
71.01382	6.3
71.05018	11.1
79.05524	1.6
80.02688	2.8
81.03454	2.1
83.05030	4.1
93.03453	23.3
93.07080	2.4
95.05050	2.1
97.06591	25.3
98.06882	1.4
98.19930	1.3
103.04007	3.4
106.04241	2.3
109.06572	2.8
111.04518	3.0
115.05508	1.3
117.07108	22.3
119.05019	5.2
119.08665	35.8
120.05818	4.5
120.08991	1.7
121.06596	36.1
123.04607	1.8
123.08162	4.0
125.09716	29.7
133.06615	5.4
135.08162	100.0
136.08511	4.1
137.09749	3.6
142.56300	1.3
171.10255	77.3
172.10612	3.1
185.11821	31.3
191.14400	1.8
200.02055	1.3
209.11835	19.9
211.13371	8.0
212.13814	1.6
226.83917	1.6
235.13382	26.3
236.13748	2.4
245.19084	4.9
249.15108	2.0
252.13617	2.0
261.18607	3.1
271.17053	5.9
279.19690	5.9
280.98526	1.4
289.18082	88.3
290.18509	6.4
307.19147	46.4
307.22296	0.8
308.19479	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	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.4
57.03439	3.7
59.01375	3.6
61.56857	1.8
61.86070	2.5
61.98822	4.0
62.33630	1.8
65.03962	52.7
69.57578	13.5
71.01378	3.1
71.05022	38.5
74.85108	2.1
79.75921	1.7
83.04985	1.9
83.43749	1.8
87.93552	2.0
89.85181	1.7
97.06587	69.3
98.06940	2.0
109.66172	2.3
112.46735	1.9
119.08653	12.9
121.06591	100.0
122.06922	4.6
122.39801	1.9
123.08154	4.1
125.09720	42.6
128.49368	1.8
137.09695	5.3
141.12852	3.5
143.81541	1.8
157.05106	2.9
168.53558	1.9
171.10243	2.0
185.11819	79.9
186.12131	3.2
194.26234	1.8
209.11807	31.5
210.12392	2.7
211.13364	35.2
212.13754	3.5
217.03278	2.0
217.12286	2.1
223.36842	2.1
235.13364	90.8
236.13762	6.0
237.43919	2.1
273.98807	2.2
289.18073	24.0
290.18542	2.4
307.19135	40.8
308.19370	2.1
310.31479	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.5
58.31572	0.3
59.01373	2.6
69.03425	0.5
69.17439	1.4
69.17869	2.2
71.01326	0.9
71.05018	5.2
74.30811	0.3
80.02625	1.0
80.74899	0.4
81.03455	2.2
83.04982	1.6
85.87553	0.3
95.04980	1.5
97.02869	0.4
97.06550	0.6
98.03674	1.6
98.20720	0.7
106.04200	1.2
107.04996	0.7
109.02853	0.4
109.06583	13.0
110.06862	0.8
110.43880	0.4
111.04512	6.3
111.08117	1.4
117.07028	0.4
119.08654	0.4
121.06549	0.8
123.04510	0.6
123.08112	1.6
127.07626	3.6
135.08205	0.5
137.06056	0.7
137.09644	0.9
143.10721	1.3
145.06578	2.7
149.09660	0.9
151.11211	0.7
157.05003	0.5
163.11208	0.5
167.10747	2.4
177.12732	0.5
179.10730	1.6
181.12231	0.5
190.33740	0.4
191.14346	0.9
195.13866	3.8
205.15765	0.4
207.17499	0.4
215.14574	0.4
217.15868	0.6
235.13441	1.9
245.19101	5.0
246.19432	0.7
249.14926	0.6
251.16475	0.9
261.18652	0.6
271.16962	1.4
273.14844	0.7
287.16449	2.1
289.18069	100.0
290.18414	9.9
307.19128	11.8
307.22052	0.3
308.19440	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.3
58.00609	0.8
59.01363	2.8
65.03936	0.8
69.03439	0.9
71.00071	1.3
71.00388	1.1
71.01372	1.6
73.02950	1.4
78.23069	0.8
79.21931	0.8
80.02663	1.0
81.03468	1.0
83.04997	1.4
90.71248	0.9
95.05023	1.4
97.06567	3.2
100.66532	0.9
107.08664	22.3
108.09010	1.4
119.08637	6.0
123.08150	4.0
125.06049	1.1
125.09724	12.4
127.11308	0.9
135.08145	1.7
137.09709	7.2
139.11327	1.0
141.09247	1.9
151.11316	1.2
153.09224	1.5
153.12823	1.1
155.10852	1.3
164.08450	0.8
171.10257	6.6
171.44881	0.9
181.12338	2.3
183.13850	1.9
185.11787	1.0
191.14453	2.1
196.07388	1.1
199.09723	22.2
200.10503	6.0
201.11105	1.1
209.15446	3.9
213.11331	7.0
245.19081	19.5
246.19458	1.0
261.18665	1.1
263.20200	6.1
271.16980	2.0
279.19641	2.5
289.18060	29.9
290.18491	2.6
307.19135	100.0
308.19418	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	6.4
59.01366	8.3
59.12926	2.5
65.68861	1.9
69.03432	5.2
69.32480	4.4
69.32882	12.0
71.01377	3.4
80.02676	3.7
81.03458	6.8
83.01370	9.4
83.05007	3.6
90.23647	2.0
95.05013	6.1
97.02930	7.1
97.06607	12.1
109.06585	2.9
121.06636	2.8
123.04560	10.0
123.08138	5.7
125.06057	2.4
125.09704	25.6
135.08235	2.3
137.06075	2.8
137.09738	13.7
142.02724	2.9
149.06032	2.6
151.22917	2.2
161.09784	2.4
163.11266	18.1
165.12772	3.9
167.10696	2.7
181.12361	3.5
185.11794	24.8
191.10791	4.9
191.14441	22.4
207.10313	11.5
209.11790	56.0
210.12213	3.0
211.13371	3.2
225.11368	12.5
226.12080	2.3
245.19066	52.2
246.19273	2.8
263.20090	3.4
263.99039	2.3
271.17026	5.0
289.18069	100.0
290.18362	9.6
307.19147	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01132	4.4
55.77422	3.8
56.26034	4.5
57.03431	7.1
58.81896	3.6
59.01381	29.3
59.54428	3.7
69.03450	3.8
71.01380	64.5
71.52369	3.8
76.81518	3.7
80.02684	5.2
81.03444	4.1
83.05036	6.6
97.06580	9.7
103.03996	26.8
109.06620	5.5
111.08154	4.6
123.04476	9.0
125.09689	11.3
137.09724	9.1
151.11256	6.2
157.05042	16.7
163.11272	7.8
165.12837	11.3
167.10760	6.0
179.10721	5.5
181.12283	10.8
185.11818	6.7
191.10675	5.7
191.14442	9.6
209.11827	39.2
211.13350	7.7
223.81186	4.6
223.83299	4.4
225.11159	4.8
245.19102	38.4
247.08197	20.6
263.20093	16.5
271.17004	6.5
289.18073	77.8
290.18369	6.5
307.19138	100.0
307.22552	4.3
308.19315	11.0
328.54553	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03436	15.2
59.01371	16.4
60.88982	4.1
62.30976	4.1
67.77473	3.8
70.66148	10.9
70.66493	4.9
71.01380	24.2
83.05034	6.8
91.38045	3.8
95.05051	4.9
97.06577	19.3
97.41177	3.9
103.04001	7.0
107.05048	4.9
109.06561	6.3
111.08145	11.4
123.31474	3.9
125.09721	9.4
137.09669	7.5
149.09639	6.1
151.11270	37.1
153.12869	5.3
155.10768	14.2
157.05006	6.4
163.11276	9.0
165.12828	28.2
179.10796	15.9
181.12308	48.0
191.10715	14.9
191.14333	7.5
191.15919	4.3
209.11806	77.2
210.12242	5.4
211.13383	8.4
245.19078	37.5
246.19539	4.9
263.20105	8.8
279.19699	6.5
289.18073	57.6
290.18500	5.2
293.50827	4.7
307.19095	100.0
308.19342	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77833	0.8
57.03433	2.1
59.01375	7.1
65.03957	3.4
69.03440	1.2
71.01369	1.0
71.05005	1.8
71.29156	1.5
75.72610	0.9
80.02687	2.0
81.03445	2.7
83.05007	1.9
95.05019	4.2
97.02942	9.8
97.06580	6.8
103.03996	1.0
106.04269	1.4
107.05001	1.1
109.06584	2.6
110.03709	1.2
111.08119	1.3
113.09669	0.9
115.58691	0.9
121.06593	5.6
123.04515	6.2
123.08164	6.2
125.09715	4.0
135.08112	1.0
137.09659	2.2
139.11281	2.2
143.24463	1.0
147.08197	1.0
149.09688	3.3
151.07626	1.9
151.11290	6.0
152.08366	1.3
153.12785	1.2
163.11281	2.6
165.12822	3.2
171.10269	1.3
177.12868	2.0
185.11807	3.3
191.14418	7.3
199.13351	2.0
203.14427	1.7
209.11807	6.0
211.13364	1.7
217.15955	2.8
235.13306	4.7
238.12083	1.4
245.11981	1.3
245.19081	54.8
246.19466	5.7
265.18073	1.7
271.16925	2.0
289.18076	100.0
290.18463	9.2
307.19128	13.2
308.19434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2281
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
57.03412	3.1
59.01377	13.7
63.75835	2.2
71.01378	21.3
71.52761	2.2
101.67488	2.3
103.04001	9.8
114.61787	2.3
121.06603	2.3
121.32387	2.1
123.08147	2.9
149.09654	2.4
151.11240	11.4
153.12817	2.9
157.05055	8.6
177.12845	6.3
197.11761	7.4
231.21077	5.0
233.76337	2.0
247.08185	6.2
271.97485	2.2
275.20151	67.3
276.20197	5.5
291.09012	2.2
307.19308	6.9
307.22745	100.0
308.23071	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	307.2277
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
57.03447	7.2
62.55938	0.4
69.23343	2.8
69.23698	0.3
112.19678	0.3
150.12933	0.4
230.15944	0.4
237.55772	0.3
261.22125	2.3
275.19931	0.8
288.84265	0.3
307.22763	100.0
308.23090	10.0
308.26526	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2278
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
54.69978	0.3
59.01369	0.9
61.98820	0.4
70.37231	0.6
70.37610	1.2
71.01383	2.3
84.24623	0.4
95.16808	0.3
96.96024	0.9
103.04017	1.1
113.09703	0.4
124.83631	0.3
135.04532	0.3
157.05022	0.9
242.01132	0.3
247.08345	0.5
289.18152	0.5
307.22760	100.0
308.23093	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	307.2641
Annotation	5(Z),14(Z)-Eicosadienoic Acid
Peak:m/z	Relative Intensity
51.26892	1.3
68.99555	1.7
70.84093	1.8
70.84416	1.5
71.01382	2.1
92.05652	1.5
108.29627	1.4
112.24067	1.3
122.68855	1.3
127.86941	1.5
136.07552	1.5
142.13394	1.4
157.05022	1.4
194.59885	1.4
200.09589	1.5
206.17282	1.4
307.26401	100.0
308.26807	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	308.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01699	0.9
60.99306	0.8
61.98829	1.4
70.98048	1.0
71.01382	3.2
74.52334	0.6
85.02983	1.3
85.97409	0.7
87.00891	0.7
88.45042	0.7
88.98801	5.9
96.96020	1.5
101.02441	0.9
103.92084	0.8
113.02431	0.8
130.06250	0.7
130.27879	0.6
135.04500	0.6
161.02435	0.8
161.04578	1.6
162.02760	1.2
205.78192	0.6
236.47832	0.6
248.11308	0.6
278.11508	0.7
308.08511	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.98828	100.0
69.47295	6.0
94.75573	1.0
98.20464	2.9
148.16429	0.9
225.43906	1.0
230.22807	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55657	0.5
58.39472	0.4
59.01379	100.0
60.01707	0.7
61.98836	2.1
62.37960	0.5
63.20002	0.5
68.60699	0.5
69.21624	0.5
69.66296	2.9
76.74383	0.6
95.78367	0.5
98.19952	0.7
108.87951	0.5
115.32020	0.5
124.39851	0.5
161.13351	9.3
162.13739	0.8
180.02065	0.6
205.12326	32.1
206.12749	2.1
209.11812	1.3
223.13361	1.2
249.11259	3.6
267.12402	0.8
309.03967	0.8
309.13504	0.8
309.20810	1.2
322.63528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46883	0.8
56.59298	0.7
59.01377	100.0
61.98821	1.6
69.47085	5.4
71.01382	1.0
71.46143	0.9
81.03448	1.4
83.05030	7.6
97.06562	1.2
98.19920	1.8
100.07687	1.0
103.04039	0.8
104.31705	0.8
107.70056	1.0
134.03731	3.8
135.04333	1.3
136.04286	1.6
139.03993	2.4
161.13356	7.0
182.15466	2.9
205.12315	34.9
206.12575	2.2
222.30609	1.1
223.13388	1.6
225.05534	1.2
249.11313	2.9
265.04959	1.3
266.13757	1.4
280.11197	0.9
281.04373	1.2
291.19522	1.4
309.04025	3.6
309.12863	2.8
309.20807	3.9
310.04715	1.4
310.16602	2.2
310.20154	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.74776	0.6
57.03447	1.2
59.01382	2.0
69.03465	0.7
70.34109	1.7
71.05016	6.6
80.02740	0.6
81.03451	1.0
89.67057	0.6
95.05011	0.8
97.02980	1.2
97.06617	2.6
107.05023	1.3
107.08720	0.6
111.20142	0.6
121.10226	5.2
123.04538	1.4
123.08177	2.7
125.09724	5.1
127.07655	0.9
135.91362	0.7
137.09729	8.4
139.07681	0.6
139.11288	1.4
142.02661	0.7
151.11276	2.9
165.12856	1.1
171.10268	18.3
171.11708	1.1
181.12469	0.7
183.10303	1.2
185.11816	8.6
186.12379	0.6
189.13069	0.6
193.12419	0.6
193.16066	0.7
195.13890	2.1
197.11807	1.7
211.13396	1.4
219.13977	1.1
221.11867	2.5
223.13318	0.7
237.14861	1.1
239.12863	0.9
247.20645	4.6
251.16518	17.0
252.16957	0.8
273.18625	2.3
291.19650	100.0
292.19986	9.2
309.04007	1.1
309.20697	78.7
310.21063	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09666	0.6
57.03442	1.1
59.01383	1.8
59.46873	0.7
63.52393	0.7
69.29908	6.1
73.11836	0.7
89.80047	0.8
97.06590	1.6
111.08154	0.8
113.96301	0.6
123.08165	1.1
125.09721	3.9
127.11272	0.8
137.09729	1.2
139.11287	1.5
141.09232	1.4
151.11301	0.9
153.09200	1.5
153.12842	1.0
155.10733	1.8
155.14383	0.9
165.12923	0.7
167.10750	1.0
171.10211	2.6
172.10663	0.7
181.12347	1.4
185.11769	1.0
197.11707	0.9
199.09770	3.0
200.10533	3.3
201.11314	2.4
213.11307	1.0
214.47307	0.7
247.20609	4.7
265.21683	1.5
273.18719	1.4
281.21265	0.7
291.19647	15.8
292.19928	1.6
309.20688	100.0
310.21014	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29050	1.6
69.63147	1.7
71.05000	2.0
71.12518	1.9
71.12827	1.8
80.02692	8.9
81.03442	2.8
83.05020	27.7
84.02172	10.4
92.53044	1.7
95.05036	1.6
97.06601	3.1
99.08155	7.5
109.06586	2.9
113.09686	2.5
115.07639	3.8
119.08618	1.8
123.04493	2.4
123.08179	2.0
125.09692	5.3
127.11263	4.8
130.05362	1.6
137.09717	51.5
139.11267	9.4
141.93510	1.6
151.11259	4.5
153.09232	10.2
155.10777	47.2
156.11006	2.2
167.10759	5.1
169.12323	2.5
171.10258	53.7
172.10605	2.2
193.12314	26.6
197.11990	1.7
198.72096	1.6
198.74463	1.4
209.11800	3.3
209.77356	1.8
211.13362	3.7
221.11650	2.1
247.20779	7.8
263.20160	4.3
265.21713	12.5
291.19638	98.8
292.19958	12.3
309.15094	5.3
309.20663	100.0
310.20883	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.0
62.22097	0.9
67.01872	1.0
71.28580	1.2
83.05011	0.9
97.06564	1.7
106.96124	0.9
111.08157	2.0
121.10225	9.0
123.08213	1.1
125.09715	7.8
137.09705	3.4
165.76518	0.9
171.10257	8.7
185.11830	8.1
195.13773	1.6
197.11809	2.2
211.13374	60.4
212.13680	3.0
223.13304	1.5
225.10211	1.1
225.14883	1.0
234.28316	0.8
247.20512	1.7
251.16313	1.5
251.24255	1.0
262.25342	1.0
273.18454	0.9
291.19647	100.0
292.19980	9.5
309.20566	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.8
59.01389	1.4
64.15219	1.2
69.03458	1.7
69.62919	6.2
71.05019	1.4
80.02656	1.1
81.03449	1.2
83.05007	1.5
85.06602	1.1
91.47196	1.1
97.02945	6.7
98.20042	1.4
102.13120	1.2
119.12218	1.1
123.04510	2.0
123.08159	1.8
151.11255	3.4
153.09175	1.2
154.80244	1.1
167.40051	1.0
171.10246	2.7
177.12805	1.9
195.13884	4.7
221.11897	3.1
221.15443	4.5
223.13300	2.6
237.14847	1.2
239.12932	1.7
239.16568	1.7
240.13446	1.3
247.20612	5.1
251.16431	2.7
267.40704	1.1
273.18542	2.1
286.78357	1.1
288.89041	1.1
291.19647	100.0
292.20041	9.3
309.20700	72.1
310.20956	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16309	1.3
56.27018	1.2
57.03457	2.0
59.01359	1.2
61.34563	1.3
64.70924	1.2
69.03450	1.5
71.51720	1.8
83.04996	1.6
84.19132	1.2
90.43211	1.3
97.02969	2.2
105.26382	1.4
109.06604	2.9
111.08152	13.5
120.37118	1.1
123.08111	1.9
127.07619	1.4
137.09723	2.6
145.15318	1.3
151.04059	4.5
151.07626	6.2
152.08447	6.8
153.12849	1.4
163.11298	2.2
165.12846	5.3
167.10750	1.4
169.12338	3.0
171.10248	2.7
179.14413	1.4
181.12372	3.7
182.52727	1.3
183.13928	2.9
184.07385	1.6
193.16000	1.7
195.13925	3.8
197.11836	49.9
198.12155	3.1
199.09529	1.2
209.15450	12.2
211.13397	9.4
221.15598	2.3
223.13376	3.0
247.20615	6.4
263.20221	3.3
265.18048	2.9
273.18552	3.0
291.19638	74.2
292.19907	6.8
309.17053	20.7
309.20697	100.0
310.17697	2.4
310.21017	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12539	1.1
59.01357	1.6
69.79736	4.4
83.05006	1.7
96.60760	1.1
98.20012	1.8
109.06590	1.8
111.08152	31.8
147.42166	1.3
153.12794	1.7
165.12805	1.4
169.12349	6.8
171.10172	2.0
181.12335	1.5
183.13809	1.5
197.11818	100.0
198.12125	4.2
199.13376	3.3
209.15440	4.1
211.13382	9.4
223.17096	1.9
225.14931	3.3
227.12869	2.3
233.15376	2.7
251.16541	3.0
263.20023	3.5
265.18124	2.2
273.18542	3.3
291.19608	19.2
292.19910	1.9
309.17215	2.5
309.20676	42.8
310.20984	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22902	1.1
58.00592	1.6
59.01359	2.4
69.14445	0.9
69.66455	6.3
71.96313	1.1
76.25628	1.2
95.47411	1.2
98.19901	2.6
109.06568	1.3
109.17445	1.1
111.08153	29.4
127.07594	3.0
151.11288	2.0
153.09181	1.2
153.12827	2.2
169.12323	8.3
171.10205	1.4
181.12347	1.8
197.11816	100.0
198.12131	5.0
199.13367	4.6
211.13388	13.0
227.12837	3.5
242.50055	1.1
263.20139	7.0
265.18039	2.0
273.18536	1.5
291.19635	18.1
292.19910	2.2
309.20673	41.5
310.21030	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2068
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
57.03445	0.9
61.56396	0.7
69.67021	3.6
73.01849	0.7
83.32031	0.6
97.06588	0.8
108.33371	0.7
121.28422	0.8
123.08129	1.2
125.06062	1.1
125.09727	5.5
127.11273	1.1
139.11229	1.3
141.09219	2.0
153.09200	1.0
153.12895	1.4
155.10806	1.0
171.10275	4.1
183.13898	1.1
185.11905	0.7
199.09715	4.7
200.10522	6.2
201.11220	4.1
231.95370	0.7
247.20743	5.1
265.21759	2.1
273.18622	1.0
290.53665	0.8
291.19690	12.3
292.20105	0.7
309.20697	100.0
310.21069	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	309.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26966	1.5
57.03448	3.8
59.01382	2.6
69.35185	12.4
71.05024	1.6
80.02649	1.8
81.03451	2.2
83.01378	9.6
83.05005	2.6
91.78870	1.4
97.02962	2.8
97.06580	6.3
98.03698	2.0
99.60422	1.4
121.05785	1.5
123.04524	3.1
123.08131	3.1
125.09718	11.0
127.11214	1.7
137.09700	1.7
139.11281	10.3
141.09207	2.5
144.36011	1.3
154.78635	1.4
163.11301	8.5
165.12820	16.8
166.13075	1.6
167.10770	6.1
181.12312	4.4
191.10818	1.9
193.12263	1.5
193.14201	1.6
193.15936	5.3
209.11830	63.8
209.13820	3.6
210.12082	1.9
211.13327	2.3
225.11072	1.9
231.68239	1.6
247.20650	12.5
265.21631	4.9
273.18570	4.1
281.21069	2.5
291.19653	100.0
292.20081	8.2
309.20706	34.8
310.21091	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	4.5
59.01379	6.0
69.03445	3.2
70.74532	6.1
74.20536	2.5
79.34056	2.2
83.05044	3.0
84.28492	2.7
90.98836	2.5
93.25957	2.2
97.06590	5.9
98.07212	2.5
111.08162	26.3
119.08648	14.0
125.09732	7.6
127.07635	2.8
127.11243	3.1
127.40558	2.6
137.09717	30.7
139.11201	2.6
151.11246	3.8
153.09198	5.0
153.12724	3.3
155.10725	4.8
163.11293	2.6
167.10811	4.5
169.12292	7.3
171.10263	100.0
172.10614	3.5
183.10187	5.2
183.13902	4.2
185.11816	28.5
195.10164	2.8
197.11827	72.5
198.12181	4.3
199.13454	2.7
201.11307	4.5
209.15414	4.2
211.13396	9.9
213.11342	9.2
224.01373	2.3
225.14891	5.4
229.19598	2.7
247.20724	4.3
251.16553	4.0
263.20175	4.3
265.18021	4.0
273.18661	16.2
291.19644	85.6
291.24567	3.3
292.20053	8.8
308.43521	2.3
309.17273	4.8
309.20679	97.4
310.21075	8.7
331.68402	2.5
333.64676	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.207
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.03430	1.6
59.01360	1.3
71.29385	2.6
73.81467	0.9
80.02679	1.9
81.20726	1.0
97.06573	1.6
98.03711	1.0
109.02934	1.4
119.19050	0.8
123.04534	2.7
123.08138	2.7
125.09719	4.0
127.07617	1.3
135.08156	1.1
137.09697	2.7
139.11272	3.1
151.11278	5.2
152.08487	1.2
153.09187	3.0
153.12775	1.1
155.10736	2.0
165.12943	1.6
170.16586	1.0
171.10246	2.8
175.19820	1.0
175.46097	0.9
179.14442	1.5
181.12317	1.3
185.11832	1.6
193.12321	1.9
199.09793	3.6
200.10466	3.7
209.11816	3.9
234.02898	1.0
247.20638	11.3
263.20166	1.2
265.21756	2.9
266.22211	1.1
273.18582	2.5
281.21286	1.2
291.19650	99.2
292.20001	7.9
309.15042	2.9
309.20679	100.0
310.21021	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	309.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01369	5.6
61.98846	2.7
70.09513	1.3
71.52653	1.6
74.31970	1.9
77.26269	1.4
79.95742	3.6
83.53943	1.3
96.96010	41.4
97.06535	1.8
123.08181	2.6
126.33357	1.4
141.90320	1.7
151.03992	2.8
151.07646	5.1
151.11258	17.0
152.08383	3.9
153.12820	5.4
161.40732	1.5
167.14470	2.2
179.14388	6.0
197.11911	4.3
209.15440	6.7
277.21710	25.2
279.23291	3.5
291.19638	8.0
309.17307	57.6
309.20813	10.6
309.24323	100.0
310.17719	4.1
310.24588	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	309.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
59.64642	1.0
61.98816	1.6
69.31068	7.7
74.02265	0.9
79.95727	1.6
83.04986	0.9
96.96008	20.1
98.19966	2.2
111.08142	0.9
122.97521	0.9
125.09718	2.0
140.72403	0.9
141.27242	0.9
151.07593	3.5
151.11212	1.6
152.08430	1.4
171.10225	1.2
197.11755	2.1
209.15393	3.8
252.09976	1.2
262.69855	0.9
265.18036	1.3
275.19919	1.4
277.21695	100.0
278.21982	9.0
291.19745	5.0
309.17490	27.0
309.20752	7.1
309.24274	72.3
310.17520	1.5
310.21310	1.6
310.24585	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	309.2435
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.31078	1.1
56.31703	1.1
57.03451	2.1
59.01368	6.7
79.95714	3.3
80.80490	1.2
83.05049	1.3
93.17097	1.2
96.96004	26.4
107.25834	1.2
133.34393	1.1
151.04060	1.4
151.07603	5.2
152.08350	2.6
171.10289	1.3
179.14412	18.9
191.57993	1.4
197.11781	1.3
209.15439	5.3
275.20255	2.3
277.21707	65.5
278.22000	6.0
291.19571	4.0
309.17413	43.7
309.21005	5.7
309.24301	100.0
310.17700	2.4
310.24728	10.2
326.27798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	33.6
68.56356	0.9
69.43922	6.4
71.01382	25.1
72.99310	1.7
85.02968	2.1
87.00880	2.4
88.04032	1.4
89.02446	35.8
90.47611	0.9
98.20612	2.0
101.02445	7.8
113.02467	7.9
119.03500	8.7
121.57272	0.9
127.58458	1.0
130.05098	2.2
130.08740	100.0
131.03459	1.1
131.09084	1.9
143.03516	2.2
149.04431	1.4
161.04530	1.9
179.05627	7.7
202.38374	1.0
227.03575	1.0
257.82785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.056
Annotation	AmbotzLS-1005
Peak:m/z	Relative Intensity
51.69231	0.6
58.57834	0.5
59.01373	1.1
68.63837	0.6
69.95315	1.4
69.95719	2.0
71.54021	0.6
72.60713	0.5
83.01380	4.7
91.62763	0.6
95.73512	0.6
96.35184	0.5
115.83063	0.6
120.66715	0.5
143.05023	0.8
155.05026	1.3
165.07094	0.6
169.45691	0.5
170.03755	0.6
171.04501	4.1
174.03276	0.9
175.03967	0.7
181.06583	2.4
182.03700	1.7
183.04523	3.3
183.08159	0.9
185.06102	0.7
193.06531	1.6
194.07262	0.5
195.04488	1.9
195.08224	0.8
196.05231	3.3
197.04402	0.7
197.05983	3.1
198.03169	3.3
198.06352	0.5
199.04007	10.8
199.07680	2.4
200.04495	0.7
202.02837	0.8
208.05241	0.8
209.06059	11.0
210.03255	3.8
210.06781	2.0
211.03999	20.1
211.07440	4.0
212.04721	3.7
213.05463	1.7
221.06015	3.6
223.03983	4.4
224.04807	5.9
225.01837	0.6
225.05484	4.4
226.02832	2.7
226.06293	2.4
227.03493	92.7
227.06772	7.4
228.04222	44.2
228.06848	0.9
228.07527	1.1
229.04616	2.4
236.04811	0.6
237.05534	7.8
238.06331	12.2
239.03510	3.7
239.06987	5.4
240.04285	18.5
241.05026	11.4
242.05504	0.9
248.04770	2.6
249.05507	4.6
250.06247	1.6
251.03561	0.6
252.04166	1.4
253.05156	2.7
254.05887	3.6
255.06599	11.9
256.07065	1.2
257.62091	0.7
264.04294	1.3
265.05029	5.5
266.05685	1.8
267.06583	13.0
268.06998	1.5
281.04462	0.8
282.05331	1.5
283.06076	8.1
293.04437	1.5
294.05258	0.6
311.05585	100.0
312.05878	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0561
Annotation	3-Carboxy-6,7-dihydroxy-1-(3',4'-dihydroxyphenyl)-naphthalene
Peak:m/z	Relative Intensity
53.43064	0.5
55.39151	0.5
59.01372	0.5
69.30653	4.2
81.58976	0.5
83.01418	1.3
92.24074	0.6
96.78886	0.5
109.02945	1.0
120.85196	0.5
125.67538	0.5
133.03044	0.9
143.05009	1.0
145.02946	0.9
153.49846	0.5
155.04988	1.1
158.03709	0.6
165.00092	0.7
171.04510	1.6
174.03198	0.8
180.05750	0.5
182.03758	0.7
182.75606	0.6
183.04501	4.8
185.06117	1.2
187.03926	0.8
193.06570	0.8
195.04457	1.2
196.05244	7.9
197.06078	2.9
198.03189	2.3
199.03986	5.1
202.02728	0.6
204.05788	0.7
207.04448	0.8
209.06053	7.8
210.03178	1.1
210.06866	1.2
211.03996	13.0
211.07314	2.5
212.04727	7.0
213.05542	1.9
219.04469	0.9
220.05220	2.6
221.06041	3.2
222.06715	0.9
223.04031	2.0
223.07712	0.8
224.04764	8.4
225.05557	3.9
226.02664	1.4
226.06194	1.1
227.03482	50.7
227.07097	1.3
228.04234	22.9
229.04616	1.3
232.05272	1.8
237.05563	8.1
238.06345	5.5
239.03484	6.9
239.07072	5.5
240.04269	25.9
241.04996	11.7
242.05400	0.8
248.04784	5.3
249.05551	12.5
250.06223	2.4
251.03474	1.2
252.04190	1.0
253.05063	2.5
254.05843	4.6
255.06595	4.2
259.42166	0.5
264.04254	2.0
265.05032	8.6
266.05814	3.7
267.03070	2.2
267.06592	21.4
268.03702	1.6
268.06921	2.3
269.04474	1.1
270.05392	0.6
281.04657	1.5
282.05350	1.7
283.06097	6.3
293.04529	4.6
294.05344	1.4
311.05588	100.0
312.05881	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	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
57.03437	0.6
59.01377	100.0
60.01717	1.4
61.31509	0.5
69.52028	3.2
71.01382	5.3
72.99317	1.9
73.02949	2.3
83.01405	0.9
83.86327	0.4
85.02942	3.3
93.68564	0.5
98.19887	0.5
99.00893	1.3
101.02444	4.8
109.02960	0.5
113.02448	2.7
128.39333	0.5
134.03757	1.5
149.04562	0.6
159.02989	0.7
161.04555	3.4
169.57018	0.5
187.07610	0.7
193.05109	0.5
206.23993	0.6
219.10117	0.6
227.03427	0.9
231.10402	0.6
269.10333	3.9
293.10358	1.8
311.05624	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	311.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90958	0.9
59.01376	100.0
60.01701	1.2
66.81676	0.8
69.44075	5.9
71.01382	5.3
72.99307	1.0
73.02944	2.0
81.43557	0.8
83.01418	0.8
85.02934	3.3
88.39417	0.7
98.20479	2.4
99.00835	0.9
101.02466	5.2
113.02432	2.0
159.02896	1.3
161.04526	3.6
269.10199	3.7
297.27603	1.0
311.05658	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01704	0.9
69.55998	2.6
71.01373	2.9
72.99306	1.8
73.02961	0.7
73.50970	0.4
75.16148	0.4
75.61269	0.4
83.01388	0.8
85.02972	1.7
91.53125	0.4
99.00898	0.6
100.58422	0.4
101.02462	2.3
109.02970	0.9
113.02456	1.2
134.03725	0.4
135.04555	0.8
149.02449	0.4
151.06012	0.4
161.02420	0.6
161.04570	1.6
163.03926	0.5
174.03191	0.7
176.04782	0.5
187.07706	1.1
201.09329	0.5
205.08832	0.4
208.03925	0.7
211.04115	0.4
219.10442	0.5
223.06152	1.4
224.04712	0.7
225.05591	0.6
227.03508	2.6
228.04221	1.2
229.02289	0.4
231.10350	0.7
237.05545	0.8
239.07216	0.5
240.04269	0.9
241.05095	0.5
249.11426	0.5
251.11292	0.5
255.06699	0.7
265.04977	0.8
267.06696	1.3
269.10248	1.9
283.06305	1.1
293.10330	2.5
311.05521	5.8
311.11322	0.9
311.15079	0.4
311.18829	0.5
311.29773	0.5
312.06006	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22046	0.6
59.01378	100.0
60.01712	1.1
61.98825	2.4
63.04484	0.8
70.93552	1.7
71.01383	10.3
72.95264	0.8
73.02946	2.3
78.95932	0.9
83.01414	1.5
85.02962	4.3
87.00885	1.0
89.02457	2.0
99.00856	0.9
101.02439	8.4
113.02460	4.1
119.03520	0.9
134.04724	1.6
149.04611	1.5
159.02997	1.7
161.04564	9.2
171.04713	0.8
189.64948	0.8
191.05600	1.5
199.04034	1.3
206.95511	1.1
209.06129	0.8
211.04085	1.4
227.03481	9.0
228.04257	3.3
237.05649	2.2
239.03534	1.6
240.04298	3.9
241.04973	1.9
249.05435	1.4
250.99959	3.0
251.11343	25.8
252.11819	1.2
265.05228	1.4
267.06689	1.8
276.02158	1.8
282.45728	0.8
311.05515	12.6
311.08539	1.2
312.05856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01723	0.8
61.31116	0.6
61.98837	1.9
69.83733	1.4
69.84134	1.7
71.01379	2.3
73.02940	0.8
78.94358	0.6
79.25968	0.5
83.01387	1.0
85.02979	1.4
88.98839	0.8
89.02490	0.7
91.04517	0.5
93.03484	0.7
96.96010	0.8
98.19903	0.7
99.00874	0.7
99.92590	3.5
101.02446	2.0
109.02995	0.7
113.02415	1.2
115.92077	4.2
116.92867	2.8
117.98998	0.6
134.04721	0.8
161.04555	2.1
178.94160	0.6
183.04422	0.8
191.05594	0.8
196.05219	0.6
199.03981	0.7
209.06052	0.7
211.03996	2.2
211.07449	0.7
212.04691	1.0
220.95436	0.6
221.05928	0.6
224.04594	1.1
227.03485	8.9
228.04245	4.5
237.05496	2.0
238.06160	0.9
239.03542	0.7
240.04234	4.3
241.04912	0.9
248.94919	1.1
249.05463	1.2
251.11292	4.3
254.05916	0.8
255.06778	1.4
265.05023	1.0
266.96036	0.6
267.06595	3.6
283.05972	1.0
292.93866	2.3
310.94998	0.8
311.05557	19.5
312.05759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60469	0.6
50.72499	0.6
57.75797	0.7
59.01377	100.0
61.30707	0.6
61.98820	0.8
70.84600	2.0
72.61160	0.6
99.04541	1.3
105.01072	0.6
109.02970	1.4
109.06604	0.7
114.10273	0.7
117.97822	0.5
120.29365	0.6
120.84572	0.7
121.02975	0.8
133.02966	2.0
144.33925	0.7
149.02414	4.9
149.73792	0.6
156.45854	0.6
161.02437	3.8
174.03178	0.8
186.06862	0.9
207.13882	61.9
208.14226	3.5
209.06120	1.1
224.04861	1.2
237.05518	0.7
238.06334	0.8
239.07138	0.8
251.13017	7.0
252.04306	0.8
254.05331	0.8
265.05008	0.7
267.06638	3.8
269.14029	1.2
283.06229	1.0
293.21567	0.8
311.05557	9.0
311.15207	2.5
311.22015	1.1
311.29718	1.0
312.06015	1.3
327.34863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97059	0.2
79.81586	0.3
79.95749	1.1
100.58528	0.3
107.74892	0.2
119.05008	1.3
170.00430	1.2
183.01192	55.2
184.01784	2.8
197.02715	2.0
197.44844	0.3
198.03577	0.7
216.00919	0.9
225.05998	0.7
229.44102	0.5
230.02501	0.5
239.07416	0.7
299.47729	0.3
311.16837	100.0
312.17145	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	311.1863
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
57.03449	1.2
58.19720	0.7
59.01384	6.1
61.98834	1.1
63.05417	0.7
65.94033	0.6
66.18861	0.8
69.47097	0.6
70.56182	1.4
71.05031	0.9
97.06593	0.9
97.25604	0.6
113.09706	1.1
117.67265	0.6
121.02937	2.0
139.11253	0.9
148.57362	0.7
153.12811	1.2
157.08684	1.8
167.14424	1.3
171.10278	2.2
172.10582	1.0
183.01250	0.9
186.06854	3.1
193.15964	0.9
211.13431	1.5
214.06401	3.3
223.20705	2.8
249.18677	4.9
251.11357	1.3
267.19641	100.0
268.20001	7.2
275.16495	7.5
293.17621	37.0
293.21045	7.3
293.97241	0.8
294.17886	4.2
311.18613	41.4
311.22220	20.0
312.18988	3.4
312.22565	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.2
70.36816	0.6
98.19861	1.4
99.09974	0.6
99.90061	0.6
113.09729	0.9
115.07637	0.8
128.08380	0.7
135.48834	0.5
167.14400	3.0
175.55324	0.6
183.13953	3.1
195.13899	10.4
211.13383	1.8
213.14943	1.9
242.15213	0.8
249.22418	0.7
275.20270	0.9
280.20618	0.7
293.21213	8.2
294.21631	1.1
311.22250	100.0
312.22617	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52668	0.4
57.03424	0.8
59.01373	3.9
61.86657	0.4
65.51910	0.5
67.31436	0.5
69.69347	0.4
71.01348	0.6
75.31892	0.5
77.68793	0.5
87.38546	0.4
97.06597	1.3
102.30991	0.5
108.71555	0.5
125.09760	3.7
139.11308	1.0
141.09201	2.2
141.12808	0.9
147.91798	0.4
151.07663	0.7
153.09198	1.7
155.14362	2.2
157.12323	1.3
171.10237	2.5
171.13647	0.5
181.15974	0.8
183.01199	2.5
183.13872	0.7
185.11917	0.5
195.17464	0.5
197.02751	1.8
199.09689	1.1
200.10548	3.4
239.23827	1.2
249.22214	1.9
265.21713	1.5
267.23151	0.8
275.20032	0.9
293.21259	7.1
294.21371	0.9
311.17084	8.1
311.22253	100.0
312.17325	0.5
312.22607	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	311.2227
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
55.98865	0.5
58.00326	0.8
58.00594	9.4
59.01371	0.6
68.55881	0.6
70.02026	2.3
70.76392	0.6
73.02936	1.9
74.71494	0.6
77.01402	0.5
83.98875	0.5
99.58427	0.6
109.06562	2.4
111.91640	0.6
125.09705	0.8
127.07652	7.3
144.10405	0.5
171.10249	0.9
183.13884	25.5
184.14198	0.8
195.13893	1.9
201.11287	4.0
211.13397	1.2
213.14958	8.9
217.63864	0.6
223.13300	2.8
241.14444	6.1
275.20117	1.7
293.21143	6.4
294.21722	1.1
311.22256	100.0
312.22629	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65117	0.8
70.82481	2.1
71.05029	0.8
73.37275	0.8
74.15990	0.7
74.56319	0.8
92.47719	0.8
114.86354	0.8
125.09683	1.7
154.09955	1.9
154.57544	0.9
177.12819	3.5
195.13853	3.1
249.22171	3.6
275.19974	0.9
284.94000	0.8
293.21207	77.7
294.21500	8.9
311.22253	100.0
312.22604	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	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12642	0.6
57.03446	1.7
59.01374	0.9
69.03448	0.6
69.40644	1.7
69.41056	3.2
71.05003	0.8
74.61113	0.7
97.02950	0.7
100.67721	0.7
113.09692	2.3
118.76839	0.6
125.09689	2.1
127.11312	1.1
139.11296	12.6
153.12828	1.0
155.10741	1.2
156.64203	0.7
163.11267	2.4
165.12848	1.6
167.10851	1.5
167.14474	1.0
168.11546	1.3
171.10258	18.3
171.11700	1.3
172.10550	1.2
185.11719	1.3
186.59650	0.7
201.11298	1.2
205.77499	0.7
211.13319	1.9
222.78543	0.7
248.59230	0.9
249.22180	3.9
275.20242	0.9
293.21225	59.5
294.21475	5.0
311.22260	100.0
312.22607	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01382	1.7
66.30193	0.6
67.27633	0.6
69.48884	3.8
75.63181	0.9
83.05046	0.8
97.06621	1.1
98.20663	1.2
99.08139	2.7
113.09719	2.6
125.09715	0.9
129.09215	5.0
139.11275	2.9
151.11302	1.2
163.11238	0.8
169.12314	1.4
171.10255	10.3
181.12346	3.6
183.13881	1.4
185.11772	2.4
185.67039	0.8
193.12294	2.9
197.11792	8.6
198.12141	1.0
199.13316	4.6
201.11261	1.7
211.13397	16.1
224.17331	0.8
255.00836	0.9
275.20065	2.4
288.12204	0.8
293.21191	18.6
294.21436	1.3
311.22247	100.0
312.22672	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.3
59.01378	1.1
60.43463	0.8
65.77470	0.9
66.19492	0.8
96.38490	0.8
98.19883	2.3
99.08160	2.2
109.99488	0.8
113.09734	2.3
125.09733	1.9
127.11286	2.4
129.09222	3.5
137.09641	0.9
139.11258	5.6
151.11249	1.2
155.10757	1.5
169.12379	1.7
171.10251	27.8
181.12328	2.5
183.10193	2.8
183.13884	1.2
185.11823	5.1
197.11888	5.6
199.13374	2.7
201.11305	7.4
211.13377	10.0
238.24341	0.8
275.20178	2.6
293.21225	15.1
294.21527	1.6
311.22260	100.0
312.22516	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	311.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11319	0.6
57.03426	0.9
57.82424	0.5
69.99419	3.0
70.26507	0.6
71.48262	0.7
97.06614	0.6
98.20033	0.8
100.67577	0.6
107.64530	0.6
123.08164	0.7
125.09747	3.4
125.10486	0.7
139.11311	1.5
141.09251	1.5
141.12849	1.6
153.09204	1.2
155.14410	1.6
167.10768	0.7
171.10226	1.1
200.10513	2.0
249.22160	1.8
250.10736	0.7
265.21545	1.5
267.23373	0.9
275.20035	1.0
293.21222	6.1
311.22260	100.0
312.22559	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	313.0716
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
64.85173	0.1
68.99804	0.1
77.03993	0.2
83.16840	0.1
89.04002	0.2
105.03445	0.7
108.02159	0.3
109.02959	0.8
116.04582	0.1
116.36626	0.2
121.02964	0.3
122.03745	0.4
123.04533	4.9
127.22016	0.1
132.02176	1.2
133.02951	28.6
134.03271	1.1
135.04504	0.4
139.03920	0.2
149.02438	0.4
150.03221	1.4
151.04004	5.8
152.04349	0.2
159.04497	0.3
161.02432	100.0
162.02768	4.3
163.04050	0.3
177.01953	0.2
179.03496	0.2
216.94846	0.1
269.08124	0.7
301.22159	0.2
313.07147	1.5
313.10669	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0716
Annotation	Sylpin
Peak:m/z	Relative Intensity
50.37669	0.2
59.01390	0.3
70.52880	0.3
71.01364	0.2
73.00171	0.2
75.30909	0.2
77.03949	0.3
86.70823	0.2
91.01961	0.2
93.03467	0.4
121.02951	100.0
122.03290	3.1
133.02991	0.3
156.55901	0.2
161.02388	1.2
180.05803	1.1
181.06590	4.6
182.06940	0.3
225.05565	6.7
226.05818	0.4
269.08200	0.3
312.22635	0.2
313.07159	16.2
314.07495	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	313.0717
Annotation	Nepetoidin A
Peak:m/z	Relative Intensity
58.20945	0.1
59.01375	0.6
69.52029	0.7
69.52438	0.4
77.03973	0.2
79.95734	0.1
93.03467	0.3
98.20659	0.3
105.03467	0.8
108.02166	0.4
109.02951	0.3
121.02965	1.4
122.03769	0.3
123.04521	5.7
132.02165	1.4
133.02954	28.9
134.03246	1.1
134.06139	0.3
135.04495	0.6
137.02405	0.2
140.36902	0.2
149.02458	0.8
149.45683	0.1
150.03217	2.0
151.03998	6.9
152.04379	0.3
152.07187	0.2
160.01515	0.2
161.02434	100.0
162.02773	4.5
163.04073	0.2
167.03494	0.7
173.04434	0.2
177.01877	0.2
182.08246	0.3
201.82576	0.2
204.32201	0.2
253.09201	0.2
313.07166	2.7
313.11050	0.3
313.20752	0.7
313.23682	0.3
314.07648	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0717
Annotation	CHEBI:68130
Peak:m/z	Relative Intensity
54.14512	0.5
59.01379	5.3
61.98838	0.6
65.03974	0.6
70.57810	1.4
72.99301	0.6
75.00878	0.7
91.05550	0.7
93.03467	1.0
95.04982	0.7
99.55803	0.5
101.04004	0.7
108.02169	1.7
109.02949	48.3
110.03290	1.3
112.76283	0.5
117.03497	0.8
119.05025	6.5
121.02956	6.5
122.03758	0.8
123.04526	3.9
128.65971	0.4
129.03471	9.9
130.04243	1.8
130.08719	0.7
131.05051	1.4
133.02957	4.5
135.04529	3.4
137.02478	1.0
139.04080	0.5
145.02951	14.3
146.03738	23.8
147.04518	100.0
148.04857	4.8
151.03954	0.6
158.03728	1.4
159.04507	31.3
160.04858	1.2
161.02437	9.4
161.06091	0.7
162.02815	0.7
173.02406	0.6
179.03539	0.8
203.03543	1.1
206.08186	0.6
223.07706	0.7
241.08914	0.6
251.07146	2.0
252.07831	1.4
253.09203	0.5
254.05769	1.0
267.06641	0.9
269.08173	65.7
270.08591	5.6
285.64035	0.5
313.03638	0.9
313.06952	4.4
313.16489	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	313.129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79298	1.3
57.03442	2.0
59.01371	13.1
62.57774	1.1
69.03449	2.8
69.33219	8.3
76.95877	1.4
80.55235	1.4
81.03457	23.1
86.69630	1.2
87.00875	100.0
92.35790	1.4
93.77061	1.2
96.99154	1.5
97.02940	2.9
97.06596	3.4
98.03699	2.7
98.20454	4.6
101.02444	1.6
109.02908	4.0
109.06611	1.8
122.06039	2.1
123.04497	1.6
123.08147	2.8
125.08820	2.2
125.09715	33.5
133.02963	8.9
135.04488	5.4
151.03978	2.6
161.02448	26.9
162.02747	1.5
163.11259	2.6
169.08693	2.1
178.02644	2.0
179.03491	2.6
179.14349	8.4
207.13853	5.0
223.13374	74.7
224.13673	3.5
233.11928	1.7
241.14449	32.0
251.12840	41.3
252.13190	3.8
253.09314	2.9
269.07578	1.8
269.12897	2.3
295.11682	2.4
313.03418	1.8
313.06714	2.2
313.12793	3.4
313.16275	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	313.238
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
57.94242	0.5
59.01366	1.5
61.98811	1.3
71.01366	0.7
71.52085	0.8
72.80462	0.5
74.85461	0.5
79.95738	0.6
80.39858	0.5
99.18610	0.6
108.53053	0.5
111.62115	0.6
121.02938	1.5
127.11260	1.2
137.09772	0.7
139.11290	0.8
155.10777	3.1
157.12244	0.6
161.02379	1.1
171.10228	5.3
220.59457	0.6
225.17564	1.0
253.09232	0.9
269.18869	1.0
269.57520	0.6
295.22818	8.5
296.22919	0.6
311.22397	1.2
313.17896	3.8
313.23816	100.0
314.24103	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	313.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.6
59.01387	0.6
60.35305	0.4
65.78179	0.5
69.21710	0.4
69.38348	1.0
69.38757	2.8
72.32285	0.4
97.06580	0.8
98.17265	0.4
98.20605	0.7
99.08157	16.7
100.08498	0.8
101.09691	0.4
103.07810	0.4
119.16805	0.4
121.14317	0.4
127.07633	2.9
129.09216	18.4
142.85533	0.5
183.13893	34.0
184.14226	2.1
195.13879	3.0
225.50204	0.5
277.21597	2.9
295.22772	7.9
296.23129	0.7
313.23822	100.0
314.24152	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	314.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42453	0.8
51.37492	0.8
55.01851	1.2
57.03445	1.4
59.01345	1.0
69.03432	0.8
69.54592	4.5
69.55015	1.5
71.04997	1.8
72.04534	3.6
73.02953	1.1
82.02979	4.3
83.01390	6.3
83.05019	1.1
88.04050	4.4
91.80193	0.8
94.90437	0.9
95.05019	2.5
97.06578	12.2
98.02472	8.3
99.08163	1.7
100.07632	0.8
101.02438	1.3
110.02459	2.7
110.06133	9.6
114.05591	1.8
120.99651	3.6
123.04534	0.9
126.05576	3.2
133.51932	1.1
134.03792	1.2
140.10762	0.9
142.12367	2.3
143.07184	1.0
150.09210	3.7
152.07193	1.1
153.05527	1.2
154.05087	5.7
164.10783	1.4
168.10310	19.8
178.12358	1.4
180.13898	2.6
186.11345	63.4
187.11685	3.0
190.12311	1.1
196.09775	1.8
206.11880	1.9
208.13412	4.8
224.12955	2.5
226.51820	0.9
232.09860	1.3
234.11334	1.0
242.13983	1.5
250.10826	6.9
252.12375	15.5
259.67154	0.8
268.11923	3.4
270.13440	35.0
271.13669	2.8
296.11331	1.5
309.35736	0.9
314.12436	100.0
314.20523	2.8
315.12830	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	315.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11646	0.5
59.01374	1.5
61.98832	0.8
63.29988	0.6
71.51136	0.5
72.99288	1.1
75.00907	0.6
96.04554	1.1
97.56899	0.7
107.53304	0.5
109.02953	1.9
118.98067	0.7
120.99653	100.0
121.99977	1.5
123.04521	5.4
128.03514	1.9
130.08717	4.1
134.03734	23.6
135.04120	0.8
137.02432	0.6
143.11905	2.5
149.06068	21.0
150.06421	0.8
152.88618	0.6
153.01935	2.0
153.05569	7.3
162.72179	0.5
165.37883	0.5
168.06662	1.4
174.93472	0.6
178.02744	1.3
178.33183	0.6
180.99750	0.6
193.05025	6.0
209.12958	1.1
227.03879	0.7
253.12009	1.5
269.11520	0.8
271.13095	0.8
297.10989	1.2
300.02908	0.6
315.04816	0.7
315.11859	2.7
316.14017	1.7
316.18753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01373	1.0
69.47191	3.8
71.01384	2.0
81.03442	0.8
85.02950	1.9
93.03435	0.7
95.01391	1.4
101.02422	1.2
108.02171	100.0
109.02985	29.0
113.02453	1.0
121.02921	1.3
123.00922	1.6
123.04527	6.7
151.04045	2.0
152.01149	67.4
153.01947	24.5
153.05537	9.7
154.02191	0.7
158.10699	0.7
163.04008	1.2
165.01944	2.0
181.04979	0.7
190.02715	0.5
195.02972	0.6
225.04037	0.6
231.57672	0.6
315.07205	82.9
316.07541	5.3
316.38977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1084
Annotation	Taxicatin
Peak:m/z	Relative Intensity
51.54339	0.3
58.81549	0.3
69.63777	2.0
95.05025	0.9
98.19857	0.4
122.03767	0.4
123.04517	76.1
124.04854	2.6
144.36320	0.3
147.48083	0.3
153.05565	100.0
154.05884	4.5
254.70853	0.3
265.98172	0.3
315.10852	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	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39707	0.3
57.03444	0.8
57.32382	0.3
59.01376	2.9
59.06221	0.4
59.33398	0.3
59.92158	0.3
69.03454	3.4
69.49274	1.7
69.49685	0.7
71.01374	1.3
71.04278	0.3
71.05012	2.4
83.05042	0.5
84.51148	0.4
85.65379	0.4
89.02450	1.0
91.04009	1.7
97.06583	0.7
123.04449	0.4
123.08168	1.0
125.09698	1.7
127.31417	0.4
135.83562	0.4
136.07684	0.6
137.09697	0.5
142.08632	0.4
151.11279	1.6
153.05615	0.5
153.12828	1.9
154.09474	0.4
161.09691	3.4
162.09978	0.4
171.10237	0.4
179.09183	0.7
179.10760	13.5
180.11130	1.0
197.11815	100.0
198.12140	5.9
209.83131	0.4
220.70499	0.4
223.09763	2.4
241.10811	17.2
242.11137	1.1
271.02618	0.8
271.10910	2.1
285.13510	0.5
300.02597	0.8
315.14459	49.0
316.14716	4.0
329.39178	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85435	0.3
57.03447	1.1
59.01379	3.1
69.03452	3.6
70.47292	0.9
70.47650	0.7
71.01384	1.3
71.05011	2.6
81.03445	0.5
83.05035	0.5
83.88483	0.4
84.88717	0.4
85.02897	0.5
87.00865	1.9
89.02455	0.8
91.04015	2.0
94.53078	0.5
97.06590	0.7
101.15681	0.4
123.08147	0.8
125.09742	2.0
135.96230	0.4
142.33882	0.4
149.09717	0.5
151.11252	1.9
153.12801	1.9
161.09747	3.4
169.12325	1.4
171.10278	1.7
179.10785	13.2
180.11055	0.8
189.53336	0.4
197.11827	100.0
198.12141	6.6
209.11769	0.9
223.09789	2.6
226.44896	0.4
241.10818	16.0
242.11072	0.9
285.13336	2.8
315.14465	51.7
316.14874	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	315.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.9
59.01357	4.8
71.01370	1.6
71.51984	1.1
72.99307	1.1
80.02691	0.8
81.03450	3.5
83.05019	2.3
85.02912	0.8
87.00872	100.0
88.01205	0.9
97.02940	0.9
97.06603	1.2
107.65141	0.8
108.02161	1.1
120.99623	1.7
123.04516	2.7
125.09718	3.1
128.03542	0.7
130.10420	0.7
130.93469	0.7
135.04510	2.0
139.62901	0.8
153.01942	0.8
153.05548	4.5
163.11238	2.1
171.10277	4.0
179.03493	2.2
191.14490	1.8
199.13377	0.9
209.11806	18.6
209.15450	2.4
210.12149	1.0
216.02725	0.7
217.12357	1.8
225.11488	0.9
225.14964	8.8
227.08119	1.0
227.12932	2.2
235.13400	9.4
242.20717	0.8
243.15958	2.6
253.14418	1.6
271.06210	1.1
283.11011	0.8
297.13422	7.0
315.08871	1.3
315.14493	27.1
315.18338	2.4
316.14639	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	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.1
68.99807	1.7
69.03465	1.0
71.01381	2.7
71.52086	1.4
72.99305	0.8
73.39910	0.7
82.49326	0.9
83.05042	1.4
85.02955	1.0
87.00894	2.1
89.02437	2.8
91.04011	4.8
96.95979	1.1
97.06580	0.9
135.04492	1.4
139.11337	1.2
151.11269	7.5
153.05554	1.8
153.12836	2.1
169.12334	100.0
170.12737	4.6
171.10233	2.6
179.10802	3.3
183.10352	1.7
195.10425	1.1
197.11826	92.5
198.12155	5.3
209.11856	2.9
213.11363	1.5
222.90103	0.8
223.09708	2.0
225.11356	1.3
227.12991	1.1
241.10828	13.6
243.12393	3.4
297.13373	1.0
315.14487	86.6
316.14703	7.6
329.97632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1446
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
51.26243	0.9
51.60941	0.8
52.88019	0.7
59.01376	7.5
61.98827	0.9
68.56613	0.9
68.99809	1.9
69.03455	1.6
70.84365	2.0
71.01376	4.1
71.64869	0.8
72.77995	0.8
81.03451	0.9
83.05013	1.0
85.10133	0.8
87.00871	2.9
88.04074	0.8
89.02419	1.8
91.03994	2.8
93.93075	0.8
97.06582	1.5
115.00388	2.0
120.57436	0.8
123.04501	1.2
125.09737	1.7
132.03052	1.2
134.49200	0.7
143.10176	0.8
151.11331	5.2
153.05544	1.1
153.07491	0.9
153.09227	0.9
153.12869	2.9
157.99689	0.9
169.12332	100.0
170.12674	5.2
171.10262	2.9
179.10817	3.1
185.11882	1.1
195.10233	0.9
197.11823	97.7
198.12180	4.8
199.10941	3.5
200.09392	1.5
209.11833	3.6
223.09825	3.5
225.11263	1.0
227.07529	1.9
241.10834	10.0
243.12347	2.9
285.13287	1.2
311.33801	0.8
315.14508	79.9
316.14935	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	315.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91764	0.8
55.01882	1.1
57.03430	3.9
59.01382	10.3
71.01379	12.8
71.52166	0.8
72.99301	10.7
73.02953	2.8
75.00861	2.3
83.05022	1.4
84.02145	1.9
85.02946	19.8
87.00880	5.0
92.40567	0.8
96.96000	2.0
97.02877	0.8
97.06612	1.2
103.00372	3.2
108.02190	1.6
115.03985	5.1
123.04529	1.9
125.09761	1.3
127.11338	1.1
134.33109	0.8
135.04558	2.9
151.11365	0.9
152.01093	1.1
153.05557	3.0
169.12338	26.0
170.12628	1.1
171.10257	56.8
172.10603	3.4
177.12820	0.9
179.03448	2.3
193.12341	3.0
195.13959	1.6
197.11816	40.1
198.12181	2.8
199.13409	1.1
205.12166	0.9
209.11771	1.4
211.13460	1.1
213.15009	0.9
221.11815	4.7
223.13423	4.5
233.11766	1.4
235.13368	1.5
239.12846	2.7
241.10815	10.3
241.14427	5.9
242.11290	1.1
251.12924	1.8
253.14587	2.0
255.16106	2.4
267.12332	1.2
279.12448	0.9
285.13422	87.9
286.13721	5.7
289.18195	0.9
300.02628	1.4
315.14490	100.0
316.14877	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	315.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68478	0.2
57.03197	0.2
57.03447	2.5
70.27357	0.1
70.27688	0.5
74.81894	0.1
74.88227	0.2
76.62592	0.2
83.05012	0.3
97.06595	0.3
121.06580	0.2
123.08165	1.3
137.09711	3.8
138.10042	0.2
143.80586	0.1
149.09651	0.8
153.56410	0.2
190.41339	0.2
224.40860	0.2
239.14447	0.4
245.19112	0.3
253.15952	3.2
254.16289	0.5
255.17535	8.8
256.17850	0.7
269.19122	4.6
270.19455	0.7
271.20645	35.2
272.20966	3.7
274.67062	0.2
315.19608	100.0
316.19946	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	315.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08793	0.2
59.01370	0.2
59.63795	0.2
60.99305	2.6
64.60938	0.2
78.95895	0.9
88.47596	0.2
98.19938	0.5
152.99547	0.6
209.47266	0.2
269.19006	1.4
271.20660	6.3
272.20935	0.6
289.21738	8.2
290.22040	0.7
311.07300	0.2
315.19617	100.0
316.19962	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	315.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98530	0.5
60.99288	0.6
61.46019	0.3
108.29433	0.3
182.71294	0.3
230.25464	0.4
271.17947	0.5
271.20673	5.2
272.20926	0.9
287.20148	7.1
288.20526	1.0
289.21713	3.3
290.22003	0.4
315.19617	100.0
316.19962	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98092	0.4
58.25064	0.4
59.01378	0.4
63.84566	0.4
65.03974	0.8
69.99765	2.0
70.00403	0.4
78.18781	0.5
92.41060	0.4
98.20023	0.5
106.51869	0.4
108.71317	0.4
113.86919	0.4
147.08139	0.8
163.11292	1.2
190.00520	0.5
205.15990	0.9
206.46272	0.5
219.17531	17.6
220.17844	1.4
245.19115	0.8
253.19553	1.5
255.17453	0.9
269.19107	11.1
270.19568	1.1
271.20663	67.5
272.20984	7.2
315.19632	100.0
316.19946	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	316.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20255	0.4
52.39498	0.4
56.37641	0.4
57.03425	0.8
59.01380	2.4
61.98823	1.4
63.96400	0.4
69.03436	1.0
69.46159	1.1
69.46568	1.8
71.01354	0.5
71.05012	0.6
72.04562	0.7
72.99307	1.5
73.02934	0.7
79.95352	0.5
82.02978	1.8
83.01377	1.5
83.05016	0.8
84.04529	1.3
85.02944	7.7
86.06123	0.5
88.04041	1.7
94.98028	0.5
95.05041	1.0
97.06583	6.0
98.02470	3.0
99.08152	0.8
101.02440	5.4
110.02477	0.6
110.06108	3.8
112.03992	0.6
113.02384	0.6
122.06181	0.6
123.04515	1.1
124.04873	0.8
126.07979	0.5
128.03632	0.6
129.01939	14.9
129.51743	0.6
136.07674	0.6
138.05582	0.9
138.09210	3.4
142.12366	1.2
150.09253	2.0
152.10741	0.7
153.05556	1.2
154.04994	1.1
154.06091	0.8
164.10861	1.0
166.08737	0.6
168.10286	12.3
171.20898	0.5
180.14005	1.0
184.09761	2.2
186.11340	33.4
187.11716	1.2
192.13855	1.1
196.09813	2.6
206.60684	0.5
208.13399	2.3
209.11816	1.9
218.11855	1.0
220.35202	0.5
227.12871	1.2
234.11174	0.8
236.12946	3.2
252.12326	4.4
254.13951	1.4
262.10852	2.1
270.13403	7.8
271.13745	0.7
280.11856	2.7
298.12952	9.4
299.13223	0.6
316.13983	100.0
317.14325	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	316.14
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07626	0.5
59.01376	3.3
61.98830	2.6
66.79927	0.5
69.03456	1.3
71.01405	0.6
71.05004	0.7
71.51553	0.8
72.04542	0.9
72.97364	0.4
72.99290	1.8
74.84705	0.5
75.00887	0.5
75.46885	0.5
78.46217	0.5
80.96522	0.7
82.03002	1.7
83.01383	2.2
83.05046	1.1
84.04557	1.9
85.02947	8.2
86.06142	1.0
88.04038	3.8
88.51475	0.5
93.03503	0.6
95.05032	1.4
95.86652	0.5
97.06585	6.3
98.02470	2.3
99.08194	0.8
100.04025	0.6
101.02451	6.0
109.06662	0.5
110.06126	4.0
116.92856	2.1
123.04513	0.8
124.04866	0.6
128.02473	0.5
128.03561	0.7
129.01949	16.9
130.02258	0.8
130.08736	0.8
133.45515	0.5
135.04533	0.8
138.05618	1.1
138.09239	3.0
142.12349	0.8
142.20509	0.5
150.09235	2.3
153.05568	1.5
154.01433	1.1
154.04970	1.3
154.06033	1.0
164.10805	1.1
168.10309	9.2
180.13892	1.3
184.09813	2.2
186.11342	31.5
187.11682	1.0
192.13919	2.1
196.09795	2.8
208.09785	1.0
208.13406	2.4
209.11800	7.3
218.11839	1.7
227.12926	2.8
236.12897	3.5
252.12434	3.8
253.07143	1.3
254.13945	1.9
262.10773	2.4
263.06174	0.6
270.13498	7.3
271.13666	0.6
280.12000	2.1
298.12961	9.8
316.13989	100.0
317.05524	0.7
317.14340	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	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.7
71.01373	4.3
71.05008	3.6
76.36760	0.8
89.02446	2.6
91.04006	3.5
97.02947	2.7
97.06573	1.7
99.00879	13.8
125.09721	7.7
127.11265	3.5
133.17445	0.9
135.08157	1.4
142.02872	0.9
153.12805	1.4
154.70122	0.8
163.11290	7.4
171.10266	1.5
181.12314	14.4
182.12665	1.1
197.11855	2.6
199.13380	79.7
200.13797	4.8
207.10249	29.8
208.10510	2.5
211.82608	0.9
225.11310	73.6
226.11702	5.2
243.12346	29.9
244.12714	1.6
255.11462	1.2
273.12134	1.4
275.98120	1.1
299.14951	2.1
317.16022	100.0
318.16422	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.03440	2.4
57.69683	0.9
58.74831	1.0
59.01374	8.0
60.57262	0.9
63.74441	0.9
69.23892	6.7
69.24308	2.1
71.01385	6.5
71.05006	6.1
71.33393	0.9
73.02930	1.4
75.00867	1.2
81.03463	1.1
83.05032	1.9
86.05135	1.0
87.04491	1.0
89.02428	1.4
91.04012	2.5
97.02956	7.4
97.06591	3.6
99.00874	32.9
105.12605	0.9
108.04564	1.8
109.06602	2.4
110.03710	1.8
123.08179	2.0
125.09726	11.8
127.11289	2.3
141.46152	0.9
142.02657	1.4
152.07108	1.3
153.12878	1.5
155.14345	2.3
161.09676	1.5
163.11288	18.8
171.10277	3.5
181.12337	49.2
182.12642	3.4
197.11842	2.1
199.11487	1.9
199.13371	39.1
200.13750	2.3
207.10243	54.2
208.10533	3.7
209.11754	1.9
225.11304	97.1
226.11610	7.7
231.12369	2.0
243.12347	93.2
244.12659	6.6
255.11311	2.8
273.12494	6.1
281.57660	1.0
306.01038	0.9
317.16031	100.0
318.16470	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
59.01364	5.0
60.09220	1.5
60.68895	1.3
61.69897	1.3
62.30585	1.3
69.32275	7.5
69.32705	5.2
71.01372	3.0
71.05009	5.5
79.10114	1.5
79.84116	1.6
83.05022	1.8
89.02491	2.1
97.02940	7.0
97.06571	3.8
99.00876	28.3
110.03724	3.1
123.08150	2.6
124.79932	1.5
125.09731	11.1
127.11279	1.7
155.14355	2.3
163.11299	15.3
181.12332	51.8
182.12784	2.8
199.11499	2.1
199.13374	40.8
200.13751	1.8
207.10239	54.8
208.10544	3.3
209.11900	1.7
225.11293	97.9
226.11618	5.7
227.12996	1.8
243.12354	96.4
244.12570	6.3
317.15997	100.0
318.16394	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	317.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	6.9
69.53595	0.7
69.57109	5.1
71.01383	7.7
71.04996	3.5
81.58037	0.8
89.02451	1.4
91.04004	4.2
97.02892	2.3
97.06551	2.6
99.00285	1.0
99.00880	15.8
109.06519	1.7
112.81658	0.7
123.08127	6.0
125.09720	7.9
127.11224	2.4
135.01122	0.7
152.00964	0.9
153.12784	1.3
155.14296	1.7
163.11320	7.1
171.10194	1.8
181.12337	17.1
182.12563	1.6
197.11816	3.9
199.13382	74.2
200.13771	4.1
207.10242	27.8
208.10471	2.2
225.11307	77.6
226.11597	4.4
227.12709	3.0
243.02921	1.4
243.12340	33.7
244.12566	1.8
253.15750	3.5
255.17545	7.2
258.05112	1.3
273.18347	2.3
299.14764	3.1
315.15854	2.4
317.06274	2.7
317.15878	100.0
318.16183	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	317.2119
Annotation	CAY10410
Peak:m/z	Relative Intensity
58.27687	0.2
59.01384	0.5
60.43256	0.2
60.99297	0.8
61.98824	0.2
69.82548	1.0
72.27197	0.2
89.77811	0.2
90.55198	0.2
98.19994	0.4
114.93716	0.2
273.22226	12.9
274.22546	1.2
291.23318	4.0
292.23727	0.4
317.21176	100.0
318.21521	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	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38376	0.1
61.04700	0.2
66.16889	0.1
69.82341	0.4
69.82727	0.3
81.04389	0.2
81.59290	0.1
92.34710	0.1
103.63486	0.2
139.52289	0.2
317.21182	100.0
318.21524	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00163	0.3
55.60005	0.2
66.41213	0.2
69.69901	1.0
92.49312	0.2
108.84194	0.3
304.98282	0.2
315.66422	0.2
317.21182	100.0
318.21533	11.3
318.24805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.5
60.99296	0.7
61.98821	0.7
67.62952	0.2
68.65633	0.2
71.22491	0.5
79.58320	0.2
83.05000	0.2
113.19060	0.2
273.22198	11.0
273.25177	0.5
274.22577	0.8
291.23291	4.6
292.23572	0.5
317.21173	100.0
318.21512	11.3
318.25287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84870	0.1
58.53551	0.1
60.99316	0.8
61.98827	0.5
70.58290	0.3
70.58656	0.3
73.20097	0.1
82.37882	0.1
113.94581	0.2
146.96559	0.2
260.11990	0.1
260.14453	0.2
273.22208	11.4
274.22516	1.4
291.23291	4.9
292.23584	0.6
317.21164	100.0
318.21524	11.0
335.22125	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
66.33327	0.2
70.57871	0.3
70.58204	0.3
98.19974	0.2
98.75984	0.2
121.35146	0.2
149.09698	1.0
175.55539	0.2
257.19180	0.2
271.20654	0.5
273.22174	0.4
294.85623	0.2
317.21182	100.0
318.21518	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99300	1.6
70.04211	1.1
71.52748	1.2
80.00713	1.0
116.89664	1.0
154.44914	1.1
160.91258	1.1
239.24304	1.3
255.21304	1.3
271.20694	5.8
273.22278	10.7
291.23242	4.5
317.21173	100.0
318.21536	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	317.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29673	0.7
78.87714	0.3
109.97498	0.3
124.47562	0.3
126.81953	0.3
137.09535	0.3
182.58653	0.3
271.20706	0.4
273.21701	1.0
317.21176	100.0
318.21509	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	317.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.24854	0.3
64.36125	0.3
64.75386	0.4
69.18482	3.8
69.18817	0.6
80.52312	0.3
168.74377	0.4
172.96561	0.4
184.55867	0.4
194.04936	0.4
255.21161	4.3
262.94849	0.4
273.22260	6.0
274.22461	0.4
291.23273	1.5
297.75296	0.5
299.20285	0.7
314.38132	0.5
317.21182	100.0
318.21509	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	317.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11962	0.3
62.29505	0.3
78.95899	1.7
95.05038	0.7
124.35216	0.3
147.66478	0.3
152.99599	1.7
176.81122	0.4
199.01866	0.5
210.49266	0.4
219.17528	1.4
229.20567	0.4
271.20648	15.2
272.20920	1.7
273.22229	28.4
274.22510	3.3
278.11508	0.4
317.21182	100.0
318.21521	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	317.2119
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.69934	0.8
51.43015	0.8
61.98825	1.3
65.42795	0.9
71.52756	1.3
81.98859	0.9
271.20584	2.9
273.22211	4.9
317.21182	100.0
318.21512	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	317.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14191	0.3
54.68981	0.3
54.72162	0.3
60.99300	0.5
65.96540	0.4
68.84000	0.4
69.03463	0.6
69.47813	2.0
78.63760	0.3
83.83796	0.4
85.15901	0.3
88.88470	0.3
114.05070	0.4
121.06570	1.1
151.11292	0.5
155.38161	0.3
163.42816	0.3
193.15971	1.0
205.15897	0.5
221.69643	0.3
255.17380	0.9
255.21164	1.0
267.64850	0.3
270.14890	0.4
270.82257	0.3
271.20712	2.3
273.22217	15.5
274.22485	1.3
291.23297	2.6
317.21179	100.0
318.21561	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	318.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
60.85433	0.6
68.99566	3.4
69.39754	1.4
69.40158	3.1
70.34026	0.6
71.01387	1.3
72.99277	0.6
78.95943	0.7
80.96511	2.0
82.04105	1.2
85.26502	0.6
88.03957	0.6
94.88067	0.5
98.20676	1.1
107.03623	2.9
108.02047	5.5
111.50130	0.5
112.98564	6.1
126.03071	2.1
130.08746	0.6
133.01558	23.1
140.40845	0.6
142.99861	0.7
150.04207	100.0
151.04518	2.3
199.11732	0.6
237.70378	0.5
246.06859	0.6
282.08420	76.5
283.08691	4.2
318.05875	4.2
319.05655	0.6
319.12717	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	319.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56361	5.2
59.01378	100.0
61.66872	5.6
61.98816	15.5
62.74568	5.1
71.01386	33.8
71.43096	8.2
72.99285	6.4
73.02943	12.7
75.00854	9.2
80.96540	6.2
85.02977	5.1
88.64527	4.6
90.88622	5.0
97.02991	8.6
99.00877	15.4
112.98814	8.5
113.02489	6.3
115.00352	8.3
116.28091	4.9
120.99650	7.5
125.06007	5.7
127.03967	5.1
143.07117	18.5
153.09236	18.6
157.08748	7.8
169.08670	6.1
171.10213	9.2
182.25081	5.6
182.57785	5.7
186.02272	14.2
187.11292	6.4
193.39128	6.4
197.08241	9.8
201.11299	8.4
215.09227	91.9
232.44827	6.0
233.10335	42.5
259.11792	12.0
275.11380	13.1
312.58981	6.0
319.08737	13.0
319.13889	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	319.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09346	1.0
58.02966	3.1
59.01380	9.0
61.98816	1.6
71.01363	2.2
71.51859	1.6
72.22554	1.2
72.99299	5.5
73.02925	1.8
80.96504	1.2
81.65676	1.0
83.01388	1.7
83.05006	5.2
84.04535	1.4
89.02464	2.6
89.85398	0.9
91.03999	11.5
93.03432	1.2
96.96005	22.4
97.02972	1.6
103.38976	1.3
110.66505	1.1
112.04052	10.8
114.05599	6.0
119.05016	12.5
120.04571	6.2
120.99607	3.1
121.05341	8.4
122.06108	15.9
123.03265	13.5
124.04051	14.4
125.09705	2.1
127.11251	3.1
128.07117	1.7
131.25996	1.0
133.01427	2.6
134.06082	1.8
135.04506	3.4
136.07674	78.7
137.06079	7.6
137.08020	3.4
138.05600	88.0
139.05937	3.9
140.07199	5.7
145.02939	1.6
146.26869	1.0
150.05594	3.7
153.74048	1.1
155.10756	2.1
156.06622	6.8
157.08675	1.5
163.03986	16.7
163.11278	2.1
165.09190	2.6
165.12863	1.7
171.10211	1.7
172.04062	1.4
174.07690	10.6
182.04552	6.9
183.05315	4.9
183.10159	2.3
184.06119	22.0
189.06631	1.9
201.11308	62.9
202.11655	3.7
203.86563	1.2
209.11806	100.0
210.12170	6.2
214.12358	2.3
215.04295	1.1
227.12814	4.7
257.12915	23.5
258.13428	1.3
275.14102	2.5
276.90485	1.2
283.07056	1.4
301.11847	1.6
319.08868	7.6
319.12454	7.9
319.17590	1.2
319.21136	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	319.133
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	6.8
59.01379	84.9
61.98818	6.1
65.14159	1.7
69.54691	11.7
70.02974	30.1
71.01373	5.7
71.05023	18.5
72.00903	1.8
80.18307	1.7
87.05624	5.1
97.04079	2.2
99.04501	6.9
101.71835	1.7
108.08155	1.9
116.07165	3.1
118.03317	4.1
124.04042	2.2
128.07167	35.5
129.05667	2.5
129.06668	8.8
130.03319	31.0
146.08221	78.8
147.05957	2.5
154.05023	3.1
164.07182	2.9
189.07024	6.2
199.10866	9.5
211.08995	2.8
215.09128	3.3
217.11920	18.9
229.10121	5.1
259.11139	15.5
277.12256	100.0
278.12558	4.6
301.12982	2.6
319.09387	1.7
319.13763	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92599	1.0
57.03440	0.8
58.02977	8.2
59.01376	5.1
60.46228	0.7
70.72993	2.0
72.00917	4.5
82.06611	2.3
91.05546	9.8
106.48704	0.8
112.07660	3.2
118.06624	3.3
126.09263	2.0
129.10347	64.9
130.10684	1.8
135.04491	2.2
141.10326	1.0
147.04529	26.1
148.04848	1.5
148.41902	0.7
149.02438	0.9
153.10318	2.7
154.08736	10.5
161.02469	1.5
164.07169	57.3
165.07538	2.5
171.11401	47.9
172.11696	1.8
179.03494	0.9
186.07072	0.9
192.57086	0.8
233.16577	34.2
234.16945	2.1
241.06175	0.9
275.17618	5.8
277.15454	2.9
319.16568	100.0
320.16824	8.2
324.97961	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1912
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
55.06734	0.2
57.03209	0.3
57.03445	2.2
59.01362	1.0
60.93418	0.2
65.95140	0.3
69.03436	0.3
71.51952	0.3
83.05038	0.3
97.51962	0.3
121.06567	1.6
125.09718	2.5
137.09717	17.6
138.10052	0.8
140.11305	0.3
149.09706	7.5
150.10101	0.5
177.12947	0.3
203.14400	2.2
204.09598	0.3
204.11546	5.2
218.13150	0.5
219.13902	4.2
219.17368	1.4
220.14174	0.4
231.17505	0.4
241.15947	0.7
257.15448	0.3
257.19092	1.1
259.16983	0.9
260.17578	0.3
263.61545	0.3
273.18500	0.7
275.17093	0.3
275.20120	7.4
276.20490	0.7
291.19647	18.6
292.19958	1.7
294.23331	0.3
319.19104	100.0
320.19446	10.4
320.23248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.01381	0.2
59.33044	0.2
61.98809	0.2
70.31840	0.2
70.74539	0.3
72.24520	0.2
79.95740	1.3
80.96513	0.4
106.98069	0.6
138.02266	0.5
155.15990	0.2
212.20135	0.2
227.65625	0.2
251.57941	0.2
279.76639	0.2
317.21149	0.2
319.22760	100.0
320.19025	3.7
320.23102	11.5
320.27036	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07354	0.2
50.33119	0.2
52.97510	0.2
59.01362	0.2
69.23619	0.4
69.24021	1.6
98.19880	0.4
134.34679	0.2
173.74576	0.2
262.88727	0.2
319.22742	100.0
320.19299	0.6
320.23083	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.83712	0.2
71.41199	0.4
74.50995	0.2
145.03183	0.2
153.40692	0.2
254.13058	0.2
319.22739	100.0
320.23071	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	319.2275
Annotation	19S-HETE
Peak:m/z	Relative Intensity
59.16657	0.3
60.23721	0.3
73.97198	0.2
74.01793	0.2
98.19865	0.7
115.87972	0.3
214.03308	0.3
230.21860	0.3
273.22195	1.3
275.23782	18.4
276.24146	1.5
319.22748	100.0
320.19208	0.5
320.23068	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	319.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00828	0.4
56.04622	0.3
59.01372	0.7
62.79502	0.4
69.21461	1.9
69.21884	1.9
84.48289	0.4
93.10103	0.4
94.40686	0.4
98.20688	0.7
104.48797	0.4
112.42553	0.4
117.64696	0.4
141.55121	0.4
192.56061	0.4
273.22189	1.4
275.23776	19.6
276.24084	2.0
311.38489	0.4
315.64798	0.4
319.22742	100.0
320.23074	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
55.55689	0.3
58.42297	0.3
61.98787	0.4
70.58518	1.0
82.53831	0.3
89.28897	0.3
147.12292	0.4
230.44073	0.3
273.22128	0.4
276.07410	0.4
319.22754	100.0
320.23096	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	319.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77098	0.2
58.54253	0.2
59.04343	0.2
62.84794	0.2
70.82375	0.4
74.34325	0.2
101.32770	0.2
108.44561	0.2
155.58609	0.2
188.70569	0.2
209.42502	0.2
288.15973	0.2
309.02252	0.2
319.22751	100.0
320.23087	11.9
321.00009	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
70.84664	0.9
72.99313	0.4
77.40198	0.3
106.15977	0.4
171.74905	0.4
177.19960	0.4
189.32129	0.4
201.98306	0.4
215.50383	0.4
240.06271	0.4
268.42975	0.4
319.22754	100.0
320.23077	10.8
325.51074	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15299	0.2
53.68490	0.2
57.89779	0.2
59.01382	0.5
61.98822	0.7
69.36863	1.8
79.54015	0.2
107.05044	0.4
113.98138	0.2
231.43912	0.2
319.22742	100.0
320.23083	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	321.119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98158	0.6
52.01067	0.6
57.03448	0.6
59.01379	13.4
61.98827	6.9
69.03450	0.8
71.01371	4.2
71.50861	0.5
72.61237	0.6
72.99303	1.1
73.02943	2.3
83.01393	0.9
83.05010	1.1
85.02948	7.6
89.02424	0.9
90.98615	1.3
95.05029	5.4
96.96014	1.8
97.06586	47.2
98.06928	1.3
99.04499	1.1
101.02433	6.3
109.06513	0.8
111.04497	0.7
113.02452	1.1
113.06060	1.0
115.03994	1.3
115.07647	9.0
120.99650	0.8
137.06053	0.7
139.07716	3.1
141.05553	1.7
143.07115	5.0
155.07086	1.4
159.06621	100.0
160.07112	4.0
161.04579	1.3
166.73109	0.6
173.08171	1.7
173.09995	0.8
183.06627	18.2
184.06905	1.0
199.09729	1.4
201.07639	5.4
207.10323	0.7
231.08685	2.7
235.10080	1.0
245.09398	1.1
261.09769	7.8
264.83453	0.6
265.14459	0.6
303.14398	2.1
304.11954	0.7
321.06619	0.7
321.10043	1.3
321.12024	0.9
321.15466	9.6
322.16092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06203	0.6
55.01882	0.6
57.03450	0.9
59.01376	14.8
61.98833	5.8
69.03459	0.8
71.01386	3.7
72.99327	0.9
73.02943	4.0
81.03446	0.8
83.01380	0.6
83.05035	0.6
83.17651	0.5
85.02944	8.5
87.00916	0.7
91.47254	0.6
95.05016	5.4
95.61806	0.5
96.96022	0.6
97.06583	46.3
98.06946	1.8
99.04527	2.0
99.08141	0.7
101.02431	6.2
102.98420	0.6
109.06625	1.1
111.08157	0.6
113.02475	0.9
115.04012	2.4
115.07648	9.9
119.03487	0.5
123.08200	0.8
125.06062	1.5
131.03543	0.8
136.99112	0.6
137.06093	1.0
139.07677	3.8
141.05588	2.2
141.11945	0.6
143.07132	18.6
155.07147	1.4
155.10825	0.8
159.06621	100.0
160.07048	3.9
169.08777	0.8
171.10272	0.8
173.08185	2.3
183.06615	16.4
184.07051	0.7
199.09734	5.2
201.05902	0.7
201.07611	6.8
204.45908	0.6
207.10278	2.0
217.10808	1.8
218.84471	0.6
223.13356	0.9
231.08763	3.0
241.14444	1.6
245.09244	0.7
259.15448	1.5
261.09796	9.2
262.10211	0.6
285.13409	1.2
303.14413	4.5
321.06076	1.6
321.09717	1.4
321.12015	1.0
321.15491	23.0
322.15851	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	321.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06203	0.6
55.01882	0.6
57.03450	0.9
59.01376	14.8
61.98833	5.8
69.03459	0.8
71.01386	3.7
72.99327	0.9
73.02943	4.0
81.03446	0.8
83.01380	0.6
83.05035	0.6
83.17651	0.5
85.02944	8.5
87.00916	0.7
91.47254	0.6
95.05016	5.4
95.61806	0.5
96.96022	0.6
97.06583	46.3
98.06946	1.8
99.04527	2.0
99.08141	0.7
101.02431	6.2
102.98420	0.6
109.06625	1.1
111.08157	0.6
113.02475	0.9
115.04012	2.4
115.07648	9.9
119.03487	0.5
123.08200	0.8
125.06062	1.5
131.03543	0.8
136.99112	0.6
137.06093	1.0
139.07677	3.8
141.05588	2.2
141.11945	0.6
143.07132	18.6
155.07147	1.4
155.10825	0.8
159.06621	100.0
160.07048	3.9
169.08777	0.8
171.10272	0.8
173.08185	2.3
183.06615	16.4
184.07051	0.7
199.09734	5.2
201.05902	0.7
201.07611	6.8
204.45908	0.6
207.10278	2.0
217.10808	1.8
218.84471	0.6
223.13356	0.9
231.08763	3.0
241.14444	1.6
245.09244	0.7
259.15448	1.5
261.09796	9.2
262.10211	0.6
285.13409	1.2
303.14413	4.5
321.06076	1.6
321.09717	1.4
321.12015	1.0
321.15491	23.0
322.15851	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	321.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.8
61.98830	8.9
71.01374	7.3
71.04981	1.6
71.51097	1.8
71.51505	1.7
73.02947	2.6
82.03002	1.4
84.52023	1.3
85.02932	7.4
95.05033	4.2
96.96046	2.0
97.06593	35.8
101.02430	6.9
108.04540	2.0
110.06130	2.3
113.02438	4.6
115.07636	6.7
120.99651	1.5
121.05369	2.9
122.06098	10.0
134.06117	16.6
135.06866	4.0
136.07681	7.4
138.05586	3.7
140.07172	26.6
141.07533	1.4
143.07141	2.4
145.05112	2.1
149.04872	6.7
150.05592	4.9
152.07153	2.5
159.06622	77.5
160.04050	2.1
160.06993	3.1
162.05600	12.6
164.03569	8.6
164.07155	12.7
166.05096	7.9
167.05934	7.7
168.06648	1.6
172.71539	1.6
183.06654	9.6
192.60056	1.4
195.06517	1.6
201.07684	2.8
230.11929	1.2
231.08734	1.9
243.12433	1.6
253.59279	1.5
255.11436	1.4
259.15390	1.8
261.09778	4.6
261.12836	2.6
273.12332	3.9
303.13483	100.0
304.13681	5.0
321.10458	2.3
321.15207	25.3
322.15634	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	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	1.2
58.00578	1.8
59.01376	32.9
61.98818	1.4
63.17753	0.8
67.21839	0.6
68.84335	0.6
69.80507	1.2
69.80906	3.2
71.01021	1.1
71.01382	18.7
72.99300	1.7
73.02935	1.7
80.44427	0.7
83.01405	1.7
85.02932	4.2
87.00855	1.1
89.02442	18.0
95.01403	1.9
96.95983	0.8
101.02435	14.2
113.02460	8.5
113.09722	24.5
119.03493	6.1
124.50858	0.6
127.11298	0.7
129.01898	0.7
135.04486	0.9
141.09204	6.2
143.10730	0.9
143.32185	0.7
154.30522	0.7
155.10777	2.3
159.10268	60.7
159.98344	0.7
160.10616	2.0
173.04530	1.0
179.05678	1.0
193.05008	1.1
201.11235	1.3
294.18384	0.7
321.15521	100.0
322.15872	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	321.1706
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.76279	2.4
51.40814	2.0
53.71507	2.1
57.03432	9.6
59.01370	14.9
61.98824	4.4
63.29582	2.2
71.01375	3.4
71.05023	14.5
71.52447	2.9
71.53216	3.1
78.82070	2.2
80.02663	3.1
80.46416	2.2
81.03451	8.9
83.05014	6.5
85.02927	2.9
93.03467	14.6
95.05021	64.0
97.06596	12.0
103.24158	2.3
107.05019	11.3
109.06585	23.8
111.04523	10.6
121.02927	10.0
121.06602	6.5
122.03719	2.8
123.04554	4.4
123.08176	13.1
125.08820	4.1
125.09714	69.1
126.14007	2.2
133.06601	3.8
135.04495	10.6
135.08127	3.3
136.05293	5.4
137.06137	5.8
139.11215	2.7
149.06064	9.9
151.07645	100.0
152.07925	4.6
161.09833	2.7
163.11122	3.3
167.07103	9.7
167.10764	2.8
171.10303	16.0
177.12741	3.6
178.06343	2.6
181.92804	2.7
185.11824	19.4
186.12117	2.3
205.12292	7.1
219.13840	2.7
221.11783	6.3
223.13324	6.1
235.13445	2.6
247.13266	5.2
249.11232	5.1
263.12885	6.1
265.14429	35.1
277.18045	3.8
279.15933	2.6
285.14951	4.4
293.17554	3.4
303.16052	22.5
304.16516	3.2
321.16992	48.7
321.20529	13.7
322.17377	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	321.1704
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
50.44255	0.9
55.01865	1.0
55.24284	0.9
57.03441	1.2
59.01378	6.6
69.03445	1.4
70.01693	1.9
70.02102	3.2
71.05011	5.1
73.02921	3.0
81.03452	1.6
82.25626	0.9
83.05009	1.2
84.47288	1.0
93.03461	2.2
95.05030	6.8
97.06583	17.7
107.04999	2.2
109.06578	2.3
110.03740	0.9
111.04520	3.6
111.35631	0.9
121.06618	5.1
123.08159	26.2
124.08434	1.5
125.06064	1.4
125.09718	17.9
126.11824	0.9
133.06566	2.1
137.06064	1.6
139.07626	1.3
139.13945	1.0
141.09180	2.5
149.06163	1.2
149.09714	2.5
151.07642	3.8
151.11272	3.1
160.05296	3.1
161.09673	3.0
167.10777	2.0
171.10280	1.5
175.11273	3.0
179.10736	2.4
187.09708	2.1
187.11328	3.2
203.14468	5.0
205.12305	1.6
213.11269	4.1
223.09744	6.8
231.10065	1.5
237.11331	3.7
247.13452	2.4
249.11328	2.6
259.17114	2.1
265.14383	5.7
277.18018	1.0
285.14828	7.9
293.17712	1.8
293.21216	3.0
303.15979	8.1
321.17059	100.0
322.17426	12.4
324.74612	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2068
Annotation	Rapanone
Peak:m/z	Relative Intensity
59.01376	65.4
71.52704	3.8
71.53080	3.2
113.21967	3.5
114.97548	2.5
144.97256	2.7
151.11246	4.2
162.79524	3.0
165.12799	5.6
191.10716	11.5
191.14372	7.5
203.14507	3.1
245.19073	30.0
261.18539	2.9
289.18073	100.0
290.18332	8.2
321.15125	4.7
321.20657	96.1
322.21008	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	321.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87691	0.2
59.01361	0.9
69.72750	0.4
69.73143	0.5
70.53745	0.2
79.95711	0.3
83.05016	0.4
98.20545	0.4
99.04488	0.4
109.06567	0.8
123.08182	0.4
140.13280	0.3
167.14410	1.3
187.14842	0.3
205.16002	0.3
217.15955	1.1
219.17464	0.2
243.17529	0.5
245.19060	0.6
247.20677	0.7
257.19122	0.9
259.20654	15.4
260.20993	1.4
275.20139	11.2
275.23181	0.5
276.20401	1.1
277.21652	0.5
291.19611	3.0
292.20059	0.4
293.21231	1.9
303.19638	7.8
304.20059	1.0
321.20676	100.0
322.21027	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	321.2071
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
57.03204	0.6
57.03453	7.8
57.21240	0.4
57.91736	0.4
59.01379	2.3
61.98808	0.6
63.43472	0.4
69.03442	0.8
71.52084	0.9
88.94357	0.4
89.02439	1.3
93.03497	0.5
96.96037	0.5
97.06557	0.9
112.67619	0.4
171.87593	0.4
178.06398	0.5
180.20036	0.4
189.12804	0.7
217.78708	0.4
273.18549	1.4
275.20108	2.0
303.16003	0.8
321.20688	100.0
322.21045	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38210	1.6
57.03445	75.3
58.00586	2.9
59.01376	100.0
61.98824	3.7
70.64513	3.3
70.64848	3.2
71.01382	50.3
72.99306	2.7
73.02941	28.1
78.95900	7.5
79.05519	4.0
81.03461	3.9
83.01373	9.9
84.35703	1.5
85.02923	9.3
87.00858	4.0
89.02436	46.2
94.16903	1.8
94.17455	1.9
95.01366	3.6
96.96938	2.3
97.02949	2.0
97.05691	1.8
97.06612	3.4
99.04517	57.1
100.04847	1.7
101.02441	53.2
111.01955	2.4
113.02445	24.4
113.03186	2.7
113.06081	3.5
117.01886	1.8
119.03469	13.4
123.04516	19.0
125.02422	10.7
131.03488	5.2
136.10947	1.6
136.52414	1.8
141.05586	1.6
143.03511	9.4
149.04510	4.2
161.04546	96.9
162.04875	2.7
179.05611	27.2
191.05553	2.2
198.24608	1.7
203.05676	3.6
211.00087	6.3
233.06633	6.3
251.00429	2.4
263.07672	18.6
323.09906	15.6
324.10367	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	7.9
57.03680	1.3
59.01111	1.8
59.01383	23.5
60.97533	2.0
61.98827	5.6
69.53189	6.7
69.53601	2.8
71.01375	9.9
72.00403	3.6
72.97515	3.8
73.02945	2.8
73.31974	1.3
73.98302	1.6
81.58115	1.3
81.82685	1.5
85.02939	2.5
87.00885	26.1
89.02443	7.6
90.98598	100.0
91.99004	2.1
94.39063	1.5
95.97611	1.4
99.04527	5.0
101.02448	6.2
113.02477	3.4
117.00111	2.2
119.03473	1.8
119.96439	1.4
125.02412	2.1
135.01199	7.8
135.04500	5.8
144.04607	1.6
149.04623	1.9
150.05563	8.6
154.02455	1.4
160.04062	2.1
160.99170	3.0
161.02377	1.7
161.04539	10.8
161.07219	5.9
168.01862	1.4
173.10048	83.8
174.10353	4.7
175.08784	5.3
179.00185	46.3
179.03470	1.6
179.05569	2.3
180.00540	1.5
189.06712	11.4
189.09480	3.3
191.11119	70.4
192.11475	3.5
203.08243	4.6
209.11830	2.1
217.09021	23.0
235.10072	20.4
251.04640	5.3
261.11636	39.2
262.11877	2.7
263.07681	2.4
279.08109	6.8
279.12711	25.1
280.13208	1.5
305.10684	15.7
323.11783	47.3
324.12134	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07808	0.6
57.03459	1.1
59.01379	100.0
59.87504	0.5
60.01702	1.2
61.37451	0.5
61.98834	1.9
63.57240	0.5
69.62583	3.5
71.01379	5.9
71.05033	0.7
72.99316	0.7
73.02965	1.8
78.95906	2.5
79.89664	0.5
83.01385	0.7
85.02962	1.8
87.00905	1.4
89.02451	3.7
96.96154	0.6
96.96967	0.7
99.00877	0.8
101.02413	2.8
101.06120	1.4
111.00848	0.9
113.02469	3.0
114.51302	0.5
116.57122	0.6
117.13418	0.6
119.03536	1.1
133.16476	0.5
136.10640	0.5
138.12662	0.5
143.03520	1.4
161.04538	5.6
171.17891	0.5
179.05641	0.7
211.00266	2.0
215.50786	0.7
249.58139	0.6
263.11484	2.9
347.71463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33169	0.5
57.14273	0.5
57.57713	0.6
59.01379	100.0
60.01725	1.0
61.98823	1.8
71.01356	1.2
71.20417	1.1
83.01387	0.6
85.02979	0.6
89.02455	1.0
96.96007	0.9
99.12511	0.5
101.02451	0.9
101.06122	1.4
113.02482	1.1
144.04530	1.1
161.04588	1.0
161.08220	0.7
299.39536	0.7
305.22424	0.5
323.07825	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58655	1.6
57.03434	4.2
57.13997	1.5
59.01370	8.6
62.59003	1.5
64.98194	1.7
65.03963	6.7
69.73119	9.6
71.05022	7.8
73.02944	3.8
74.00444	1.6
81.03445	3.5
83.05031	12.3
93.07100	6.9
94.17631	1.9
95.05028	2.8
97.02942	1.7
97.06582	4.1
101.42810	1.6
107.05016	4.0
108.02168	2.2
109.06593	4.7
110.03715	1.6
111.08165	2.0
121.06595	20.1
122.03743	4.7
123.08093	2.1
125.09737	7.2
135.08159	3.1
137.09819	2.2
139.07654	5.6
139.11292	9.7
147.04475	1.8
149.09628	2.0
153.09209	4.7
155.10719	1.9
163.11308	3.0
167.10768	2.0
170.33705	1.6
183.10277	4.0
185.11777	3.1
197.11870	3.9
207.10196	4.7
207.13727	3.5
209.11850	24.9
209.57471	1.4
213.11288	2.7
214.84114	1.8
225.11261	7.3
227.12897	24.5
231.13977	2.1
233.11807	45.7
234.12105	3.6
249.14859	11.0
251.10425	3.1
251.12881	38.9
252.13329	2.5
261.18591	3.4
277.17966	1.7
279.19586	7.0
287.16495	20.0
305.17566	100.0
306.17880	8.0
319.05588	1.9
323.18701	16.6
323.22089	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	323.1862
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.71819	1.5
57.03443	8.5
58.55829	1.5
59.01374	16.2
61.98803	2.7
69.03455	2.7
70.31007	1.6
71.01375	3.8
71.05009	9.0
71.52559	1.9
73.02940	1.7
75.98114	1.7
78.55303	1.6
78.95866	1.5
80.02685	2.2
81.03432	3.2
83.05018	7.6
85.95315	1.5
87.04506	4.6
91.93639	1.5
93.03469	2.8
95.04992	4.4
97.06585	3.1
98.03717	3.8
107.05042	2.7
109.02940	2.2
109.06594	33.8
111.04520	3.0
111.08163	8.1
121.02930	2.1
123.08164	13.3
125.09719	3.3
127.07637	14.4
127.11260	6.9
127.99632	1.8
133.06595	2.9
135.04564	2.8
135.08134	3.4
149.09669	5.6
151.07632	6.1
153.09232	3.2
161.02318	1.9
165.09224	3.8
171.10280	100.0
172.10648	3.3
185.11844	4.0
193.12314	2.4
195.10274	48.9
197.11833	2.3
199.09824	3.8
201.11346	4.1
209.11815	2.3
213.11371	4.3
221.11710	2.7
223.13300	3.0
233.11931	2.6
247.13380	5.6
251.12785	3.6
265.14447	11.8
287.16507	13.1
298.71326	1.9
305.17606	20.7
306.17865	2.0
323.07996	2.4
323.15121	3.6
323.18628	19.7
323.22122	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	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40410	2.2
57.03448	2.9
58.18661	1.9
58.76479	2.1
59.01372	6.5
60.81968	1.9
62.90020	2.1
71.28603	3.6
80.02713	3.8
83.05048	3.3
91.05534	3.7
95.05032	3.9
97.02950	2.6
97.05978	4.0
97.06589	58.0
106.04224	2.6
107.08640	3.5
109.06586	47.4
116.79185	2.2
117.07064	2.6
118.04119	2.0
118.98306	2.0
120.05779	2.9
123.08147	5.2
125.09723	43.4
135.08171	25.9
136.05281	2.8
153.09230	2.6
161.06075	38.9
163.11244	12.1
181.12335	6.1
185.11761	3.4
207.10245	39.3
208.10556	3.6
209.11783	5.5
217.15878	2.9
225.11284	39.2
241.46228	2.4
243.17648	5.1
261.14862	5.8
261.18597	2.5
269.15439	2.8
271.63312	2.3
277.18008	6.1
279.15985	51.1
287.16479	24.3
305.17548	100.0
306.17923	8.5
311.88129	2.6
323.18610	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	323.1861
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.70169	1.0
57.03429	1.4
59.01365	5.2
59.47411	1.1
59.71146	1.0
69.34701	7.9
69.35100	2.3
71.05028	1.4
73.02972	1.6
76.45429	1.1
81.03451	2.7
83.05035	6.8
84.02158	1.5
95.05029	2.7
97.02970	1.5
97.06551	3.7
107.05028	14.2
109.06566	4.7
110.03778	1.7
113.06078	2.3
121.02940	1.2
121.05133	1.2
123.04557	1.8
123.08154	1.5
125.02428	3.2
125.06062	4.6
125.09743	9.2
135.08142	5.2
137.02463	1.2
137.06064	1.6
143.71086	1.2
149.09512	1.2
151.07584	1.2
153.09187	12.8
163.11261	8.2
165.12793	4.1
171.10284	3.4
176.08362	3.0
178.09976	4.6
181.12297	1.5
185.11787	2.2
190.09862	1.4
191.10735	2.7
197.11798	12.5
207.10272	7.9
209.11800	100.0
210.12137	5.2
211.13560	1.5
225.11267	7.2
236.10391	3.0
243.17435	3.9
254.11562	3.4
261.18579	6.3
277.17953	1.7
279.16113	1.6
279.19662	3.1
287.16559	9.8
305.17639	95.1
305.21167	16.3
306.18033	7.8
323.18533	17.0
323.22238	4.8
324.18777	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	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.6
57.03442	13.4
59.01107	2.9
59.01376	19.0
61.98832	5.8
71.01404	3.3
71.05015	15.5
71.41016	4.2
79.78876	2.9
81.03443	6.3
83.01377	13.4
83.05016	13.3
84.02184	4.1
92.75010	2.6
93.03425	3.3
95.05025	33.7
97.06580	28.5
98.15175	3.3
99.04491	4.5
106.04232	3.8
107.05045	4.0
109.06579	12.7
113.06098	14.6
116.92818	5.6
119.05052	3.8
121.02956	3.4
121.06539	6.1
122.03733	2.9
123.04545	4.3
123.08151	8.5
125.06048	3.3
125.09722	19.5
133.06668	3.3
135.08188	16.6
149.09697	4.3
151.07660	3.0
151.11313	5.3
153.09244	7.2
161.09772	3.0
161.53735	2.4
163.11281	10.3
165.09149	3.9
165.12845	5.2
167.10774	3.5
171.10207	3.6
172.51257	3.0
177.12756	5.1
179.10730	3.8
181.12285	7.9
185.11795	15.7
189.12830	7.2
191.10742	6.4
203.14336	5.6
207.10278	5.4
209.11816	100.0
210.12059	4.9
211.13290	3.8
221.11839	4.2
224.13802	2.8
225.11284	9.3
233.11758	5.6
237.14964	63.6
238.15208	5.1
243.17432	7.5
247.13316	4.5
249.14929	4.8
261.18738	4.1
265.14316	17.1
277.17969	12.7
279.15985	9.3
279.19202	3.1
287.16510	33.1
305.17545	59.6
306.17920	6.9
323.18591	42.4
323.22134	5.5
324.18835	5.4
339.74454	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03449	3.6
59.01380	17.6
61.98791	2.4
71.01392	3.6
71.05013	9.9
71.42574	2.7
71.42916	3.3
75.74037	2.3
79.65643	2.0
81.03464	2.3
83.05018	2.2
95.05013	5.1
97.06577	5.1
98.28427	2.1
111.04536	2.6
113.02444	3.2
115.07662	2.6
121.10253	14.7
123.08154	4.5
125.09713	13.8
127.07597	3.3
135.08199	2.7
137.09734	18.1
149.09750	5.3
151.11284	5.1
153.09215	5.3
163.11203	2.2
171.10289	19.1
177.12825	2.2
178.54941	2.1
185.11803	22.3
187.09827	2.6
193.12326	3.3
195.14052	2.2
197.11893	4.2
198.20670	2.1
201.11409	2.5
207.10231	4.0
209.11943	3.6
209.34581	2.6
221.11766	3.3
225.11278	2.9
225.14871	4.2
247.20419	2.4
273.18723	7.0
277.21021	3.4
279.19730	6.7
291.19666	90.7
292.20078	8.3
295.22580	3.2
305.17581	7.3
305.21127	42.0
306.21759	3.6
323.18811	4.5
323.22195	100.0
324.22568	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	323.2225
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.98739	1.3
57.03442	1.4
59.01382	8.3
60.72969	1.6
69.03425	1.7
69.21497	14.7
71.01378	2.7
97.02957	1.8
103.01785	1.4
123.04510	2.3
123.08141	4.7
125.09728	3.7
139.11270	3.3
151.07747	1.7
152.08437	1.8
153.09181	12.0
161.04509	2.1
163.11293	2.1
177.12796	4.7
195.13866	9.5
197.11806	2.5
211.07095	1.4
211.13266	2.0
221.11847	14.6
221.15399	3.7
222.12134	2.1
233.15445	1.5
239.12793	1.8
247.20689	2.5
253.14394	15.8
261.22079	2.4
273.18509	2.6
291.19626	38.8
292.20078	3.5
305.17795	1.6
305.21182	42.7
306.21658	3.8
308.19897	4.6
323.22253	100.0
324.22583	13.1
328.92795	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	324.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84662	1.5
57.88820	1.5
59.01370	16.9
61.98829	100.0
69.52840	10.0
71.01385	1.5
73.02944	23.5
78.95906	7.6
79.16241	1.7
80.96543	1.5
83.05004	1.5
83.36678	1.4
83.67561	1.4
87.00843	1.4
97.06604	1.3
121.02985	1.6
123.00861	2.1
123.01799	1.4
123.04536	2.9
135.04500	4.6
150.05608	15.9
152.99564	6.0
166.35994	1.4
176.04767	34.8
179.07082	5.8
187.09796	14.0
191.05495	2.7
191.07135	32.9
199.13216	1.9
201.11325	15.3
212.67262	1.5
235.06049	2.9
243.12297	4.6
244.12949	1.5
261.13412	85.6
262.13699	4.2
262.91953	1.5
281.10306	4.3
325.09470	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	325.0717
Annotation	Milletenin C
Peak:m/z	Relative Intensity
54.95151	0.2
59.01366	0.7
60.60384	0.2
71.51445	0.2
75.46008	0.2
78.78756	0.2
92.23959	0.2
109.06578	0.2
119.08677	0.6
123.08164	0.7
135.04495	1.9
135.08183	0.3
161.02493	0.2
163.61749	0.2
168.52573	0.2
171.10228	0.6
185.11812	0.6
187.84576	0.3
189.01970	0.4
209.06035	0.4
213.05400	0.2
219.04414	0.3
221.06030	0.2
237.05562	1.2
237.09206	0.7
238.06160	0.3
241.04950	0.4
245.18990	0.3
248.04739	0.4
249.05501	0.6
251.03293	0.3
253.05016	0.9
254.05840	4.0
255.06218	0.3
264.04340	0.2
265.05045	5.1
266.05768	5.3
267.06210	0.2
269.04538	47.0
270.05127	7.8
271.05588	0.4
282.05350	0.7
289.18079	3.2
293.04709	0.2
297.04022	0.4
298.04712	0.3
307.19171	0.9
324.06299	0.4
325.07147	100.0
325.19843	1.5
326.07495	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	325.0928
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01376	0.8
61.98829	0.5
69.56259	1.5
69.56673	0.6
93.03469	0.5
114.05619	0.8
117.03529	0.4
119.05026	100.0
120.05368	3.7
123.55062	0.3
133.02959	1.2
134.04726	0.4
135.04492	0.4
144.28447	0.3
148.05327	0.3
161.02481	0.6
163.04005	78.6
164.04349	3.8
176.04819	1.5
177.02022	0.7
179.03456	0.5
191.07137	1.2
205.05042	0.6
209.06110	0.3
235.06119	0.4
325.09274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50383	1.2
59.01375	6.5
61.98816	2.5
69.29391	7.3
71.01386	2.2
72.99308	69.9
76.77563	1.0
77.77982	0.9
81.03459	1.1
89.03987	7.3
91.28735	1.2
93.03436	2.2
95.01448	1.1
95.05037	1.5
96.96983	1.0
97.06585	3.5
105.03445	2.8
108.02161	1.2
109.02943	5.0
117.03458	9.6
119.05052	8.0
121.02922	8.5
121.06598	5.9
122.03720	3.0
123.04526	15.6
133.02963	7.7
134.03741	46.9
135.04538	25.2
136.01651	2.3
137.02426	10.9
139.03992	2.3
149.02441	16.8
150.03285	5.1
150.04234	0.9
151.04007	100.0
152.04340	3.7
163.03999	3.2
177.01959	5.7
178.02695	23.0
179.03383	3.0
185.11700	1.0
195.02972	6.9
196.03633	3.1
197.04500	4.0
231.10274	7.0
237.09142	3.7
275.09262	4.4
281.08005	2.2
293.10297	41.9
294.10675	3.4
301.52158	1.0
304.78125	0.9
307.11978	4.0
307.19037	1.2
325.07294	9.3
325.12912	51.9
326.07892	1.0
326.13315	4.0
338.07040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1291
Annotation	(+)-Macrosphelide C
Peak:m/z	Relative Intensity
55.50383	1.2
59.01375	6.5
61.98816	2.5
69.29391	7.3
71.01386	2.2
72.99308	69.9
76.77563	1.0
77.77982	0.9
81.03459	1.1
89.03987	7.3
91.28735	1.2
93.03436	2.2
95.01448	1.1
95.05037	1.5
96.96983	1.0
97.06585	3.5
105.03445	2.8
108.02161	1.2
109.02943	5.0
117.03458	9.6
119.05052	8.0
121.02922	8.5
121.06598	5.9
122.03720	3.0
123.04526	15.6
133.02963	7.7
134.03741	46.9
135.04538	25.2
136.01651	2.3
137.02426	10.9
139.03992	2.3
149.02441	16.8
150.03285	5.1
150.04234	0.9
151.04007	100.0
152.04340	3.7
163.03999	3.2
177.01959	5.7
178.02695	23.0
179.03383	3.0
185.11700	1.0
195.02972	6.9
196.03633	3.1
197.04500	4.0
231.10274	7.0
237.09142	3.7
275.09262	4.4
281.08005	2.2
293.10297	41.9
294.10675	3.4
301.52158	1.0
304.78125	0.9
307.11978	4.0
307.19037	1.2
325.07294	9.3
325.12912	51.9
326.07892	1.0
326.13315	4.0
338.07040	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80669	0.7
50.95938	0.8
54.21100	0.8
59.01383	5.1
61.98813	1.2
71.06665	1.9
72.99303	65.5
73.91953	0.8
78.95901	29.4
80.78358	0.8
81.03442	1.7
83.05020	1.1
93.03445	2.8
95.05007	3.2
96.95983	3.3
96.96956	64.5
97.06594	1.2
97.93094	0.9
98.90664	1.3
105.03493	1.2
106.04253	0.8
107.05022	0.9
108.02168	1.2
109.02937	2.3
113.92602	1.8
114.93378	1.9
118.33985	0.9
121.02937	6.6
122.03706	3.1
123.04510	16.4
125.09679	1.1
127.07658	0.8
133.02908	5.8
134.03734	21.1
134.04726	1.9
135.04463	2.8
136.01682	1.1
137.01468	1.3
137.02434	15.8
139.04016	4.3
149.02429	6.1
150.03246	3.9
151.03998	100.0
152.04282	3.1
162.03273	2.0
163.11182	1.2
165.01880	1.1
171.10173	1.1
177.01884	1.7
178.02695	42.4
179.03242	2.7
193.06657	0.9
195.02972	8.1
196.03795	6.1
197.04486	1.7
201.11218	1.5
205.12157	0.8
209.11768	12.7
213.11197	1.4
219.08096	8.9
219.10046	1.7
227.12869	2.1
235.07431	1.5
237.09207	13.2
238.09494	1.7
245.06050	0.9
251.07132	1.0
253.08226	0.8
263.07040	8.5
264.07498	1.2
265.07578	11.6
275.09412	1.7
279.06598	1.2
281.08160	28.3
282.08469	2.0
289.04868	1.7
289.18173	1.5
293.10297	26.9
294.10580	2.3
297.07492	2.0
307.19101	2.4
325.03021	1.1
325.06912	4.7
325.12912	25.2
325.20114	3.4
326.13168	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	325.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01723	1.1
61.98840	2.8
70.02379	2.2
71.01380	4.3
73.02950	1.9
75.00868	0.6
78.95915	1.7
83.01373	0.7
85.02950	2.2
87.00882	0.9
89.02467	0.9
97.24666	0.5
97.80087	0.5
98.20000	0.6
99.00903	0.8
101.02440	4.5
107.03651	1.2
113.02461	2.1
119.05000	4.8
134.04721	54.6
146.02231	0.5
147.04547	0.7
161.04541	4.6
161.05553	0.5
163.04022	3.7
164.07182	1.5
186.09401	0.5
253.00389	0.6
265.12897	9.4
266.08969	1.6
266.13312	0.8
295.25513	0.5
325.10480	0.8
326.10193	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63371	0.8
53.77245	0.9
59.01367	2.7
66.23645	0.8
75.61260	0.7
79.95737	1.9
107.08556	1.0
119.05026	0.9
167.10783	1.1
170.00371	1.2
171.71260	1.0
183.01190	37.2
184.01636	1.8
197.02766	17.2
198.03290	1.4
229.92596	1.0
230.02525	1.1
239.07692	1.0
253.08737	0.9
253.61328	0.9
289.18048	2.8
293.21292	5.4
307.19180	1.6
325.18393	100.0
325.23642	6.9
326.18661	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	325.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.90250	0.2
60.80663	0.2
71.29436	0.4
74.19865	0.2
79.95367	0.3
79.95770	1.0
81.11058	0.3
82.82730	0.2
84.73513	0.2
96.45770	0.2
118.95876	0.2
119.05000	0.6
126.42944	0.2
149.09724	1.3
163.11314	1.7
170.00412	1.0
183.01201	41.9
184.01967	7.2
185.02179	0.3
197.02785	2.0
198.03546	0.3
205.43925	0.2
216.00955	3.2
217.17207	0.2
225.05896	0.4
239.07494	0.5
253.09036	0.4
261.22192	0.7
325.18399	100.0
326.18726	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59225	0.3
59.44579	0.3
69.91694	0.7
69.92084	0.6
78.82132	0.3
79.95766	1.2
89.84530	0.3
97.71861	0.3
98.20200	0.6
108.87105	0.3
116.15710	0.3
119.05013	1.3
170.00423	1.3
183.01204	47.3
184.01868	3.8
196.64122	0.3
197.02786	2.8
198.03569	0.6
211.04382	0.4
216.00882	0.8
225.06032	0.5
230.02602	0.4
239.07443	0.6
261.22290	0.4
282.94882	0.3
325.18411	100.0
326.18735	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70308	1.1
57.03432	2.7
61.64788	1.0
69.61382	5.6
69.61788	2.5
71.01372	4.6
71.05029	2.2
72.02128	1.5
79.78220	1.0
80.02688	1.1
83.05009	4.8
84.02160	2.5
85.02937	1.8
95.05024	1.6
97.06577	4.4
99.04497	1.3
99.08168	4.4
109.06608	1.6
111.08128	1.5
112.05275	2.1
115.07644	2.1
123.08125	1.5
123.19980	1.2
125.09711	5.2
127.07658	19.5
128.58772	1.1
135.08112	2.4
139.07648	6.3
153.09192	14.4
155.10735	2.9
163.11261	3.2
163.65248	1.0
165.12817	2.3
171.10255	15.6
178.09947	4.1
179.82323	1.4
185.11821	21.2
191.10716	1.9
191.14476	2.4
197.11806	18.5
209.11812	76.5
210.12143	4.8
211.13368	1.3
227.12898	1.3
236.10527	1.7
237.14902	4.3
238.12088	5.7
239.16597	1.5
245.19008	3.7
254.25005	1.1
256.13141	4.7
281.21133	2.2
289.18076	12.3
290.18420	1.4
297.20575	1.3
307.19135	100.0
308.19424	9.6
325.20175	48.5
326.20578	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	325.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.5
58.00584	2.6
59.01353	1.4
60.13232	1.1
69.61444	5.4
71.01363	1.8
71.10202	0.9
72.21222	0.8
74.25011	1.0
80.02689	1.7
85.02937	1.1
87.04520	2.0
94.95565	1.0
97.06577	2.6
98.19936	1.1
109.06551	1.0
110.03745	1.6
111.08163	21.0
120.60379	1.0
123.08144	2.7
125.06078	1.6
125.09718	29.0
126.10052	1.2
127.11292	12.5
135.08269	1.4
137.09695	8.4
139.11310	2.1
141.09178	1.7
141.12863	1.1
149.09700	1.4
151.07582	1.0
151.11273	4.3
153.09181	5.7
155.10796	5.1
155.18503	1.0
157.12288	1.2
164.08424	2.0
165.09190	4.4
166.29913	0.9
169.08679	1.1
169.12233	1.0
171.10266	17.8
177.09093	2.0
180.40305	0.9
183.10124	1.5
185.92140	0.9
195.10283	3.1
199.09782	3.0
199.13283	1.0
201.11324	73.7
202.11639	4.3
209.11806	3.9
213.11320	49.7
214.11696	2.6
227.12914	1.0
245.19083	1.1
250.12167	1.5
255.15967	1.1
289.18097	22.9
290.18503	1.9
307.19162	45.1
308.19510	4.7
325.20190	100.0
326.20578	9.2
338.44107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2018
Annotation	Plakortenone
Peak:m/z	Relative Intensity
50.77444	1.2
50.99561	1.2
57.03441	7.5
58.00593	1.7
59.01368	5.2
69.03461	1.3
70.26566	4.3
70.36074	1.1
71.01359	1.3
73.02937	8.8
83.05003	1.9
84.02154	1.4
95.04987	2.1
97.06580	13.4
111.08024	1.1
115.07660	3.1
122.41872	1.3
123.08162	9.7
125.09718	100.0
126.10023	4.2
127.07677	2.5
127.11253	4.4
137.09708	1.7
141.09216	78.1
142.09520	3.4
151.11276	7.0
153.09152	1.3
153.12814	3.2
155.10739	3.5
161.28041	1.2
165.09163	1.3
165.12738	1.4
169.08635	3.0
171.10291	8.4
172.10603	1.7
187.09758	11.7
197.11809	8.6
199.09697	2.4
199.13364	8.9
201.11314	76.7
202.11610	3.7
209.11790	3.8
211.13304	3.1
213.11221	1.4
215.12831	2.6
220.77376	1.2
227.12874	31.1
228.13173	2.9
229.14459	15.4
263.20172	6.9
267.19632	1.6
289.18149	4.2
297.20654	12.9
298.20874	1.9
301.79706	1.5
307.19116	29.1
308.19424	3.3
325.14587	1.9
325.20187	30.2
325.23599	1.6
326.20496	2.5
326.24283	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	325.2019
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
54.46931	0.7
55.01871	0.9
57.03460	4.1
59.01373	2.9
63.00050	0.7
69.61759	2.9
69.62167	1.8
69.72741	0.8
71.05013	2.4
77.52268	0.8
80.02680	6.3
82.86946	0.7
83.05032	1.4
84.02163	8.1
95.05006	1.4
97.06593	10.1
113.09724	2.3
113.49941	0.7
115.07655	0.9
119.08663	1.1
123.08152	5.2
125.09727	70.2
126.10064	3.0
127.11282	3.8
135.08125	1.7
137.09726	38.6
138.10048	1.3
141.09161	1.1
149.09746	1.3
153.09192	5.8
155.10793	11.4
164.08382	1.3
165.12793	0.9
169.08655	3.0
171.10237	6.4
187.09790	2.6
201.11383	1.9
209.11816	6.3
227.12866	3.3
228.12968	0.8
229.35983	0.8
245.19070	1.2
250.11995	1.8
253.18056	1.0
279.19690	3.2
279.61179	0.8
281.21219	2.7
284.09821	0.8
289.18137	6.8
307.19147	100.0
308.19498	9.9
325.20251	19.0
325.24011	1.9
326.20474	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	325.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.1
65.57280	1.6
69.22089	14.4
71.05045	1.8
74.27409	2.1
83.05056	2.8
97.06595	2.0
101.02423	1.9
115.07643	1.8
121.02990	3.1
122.03773	3.9
123.08185	2.9
125.09733	9.9
136.05339	2.7
141.09328	2.1
148.79352	1.6
167.14417	6.0
171.10292	2.9
181.12354	1.8
183.01373	2.3
193.15976	2.5
199.13467	4.2
201.11409	7.7
207.17575	5.3
209.11833	4.2
227.12781	2.7
231.17632	2.8
231.64679	2.0
249.18607	37.1
275.16504	28.6
276.17050	2.0
281.21384	8.3
293.17584	100.0
293.20609	4.6
294.17874	8.2
307.19211	9.9
325.20279	93.6
325.23785	7.6
326.20578	11.4
326.24252	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	325.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	4.3
59.01366	4.0
70.52798	2.1
70.53151	1.1
71.01387	1.3
71.05026	2.3
74.62048	0.8
80.02666	5.4
83.05052	1.0
84.02189	4.8
85.04076	0.9
95.05065	1.3
96.13992	0.9
96.96010	1.4
97.06583	8.5
98.19939	1.1
106.22325	1.0
118.43622	0.9
123.08164	4.8
125.09722	59.5
126.10046	2.4
127.11296	2.6
137.09717	34.8
138.10056	1.5
139.11259	1.4
141.09213	1.3
153.09224	2.2
155.10759	7.9
159.55486	1.0
164.08418	1.5
167.14394	3.5
169.08708	2.2
171.10310	2.0
183.01198	3.2
187.09732	2.5
193.15936	1.1
199.09749	1.5
207.17499	1.4
209.11832	11.1
227.12877	3.5
249.18533	4.7
250.12097	1.4
253.18120	1.2
263.19983	1.8
279.19705	1.9
281.21262	7.0
289.18109	6.8
307.19150	100.0
308.19604	7.1
325.20532	15.4
326.20554	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2171
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
55.32400	0.5
59.01381	1.1
69.51219	2.9
69.51627	0.9
78.60241	0.8
79.95753	1.6
98.20665	1.1
100.85255	0.5
101.62053	0.6
118.60378	0.6
149.09711	70.9
150.10074	3.3
163.11281	73.7
163.39117	0.5
164.11588	3.7
170.53345	0.6
183.01189	41.5
184.01996	6.3
197.02733	1.6
216.00941	2.6
227.55013	0.6
261.22473	0.7
325.18320	100.0
325.21735	69.4
326.18640	9.6
326.22055	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	326.1607
Annotation	Cropodine
Peak:m/z	Relative Intensity
59.01393	3.2
61.98817	1.2
65.19180	0.6
68.95607	0.7
69.39816	4.9
84.04542	5.3
96.00900	3.1
96.04543	1.4
97.01680	2.4
97.02896	1.6
98.02483	2.8
98.19811	0.8
99.00890	1.0
100.04036	3.6
102.05605	19.2
103.06033	0.8
109.02996	0.7
116.51788	0.6
119.04992	1.6
121.02943	0.7
127.63112	0.7
128.93994	0.7
134.04747	1.0
135.04558	1.6
140.03464	0.9
151.11295	2.3
156.50284	0.7
161.09712	1.5
169.12343	7.5
171.99954	0.6
178.12366	1.3
179.03510	1.9
179.10754	7.8
181.91696	0.6
183.05362	7.0
185.11861	3.3
195.10223	1.6
196.13428	2.2
197.11870	1.8
204.10312	1.5
205.08656	1.2
207.10243	1.8
213.11305	2.8
222.11330	18.6
223.09724	18.3
223.11838	1.5
225.11093	0.9
240.12386	47.9
241.10704	1.5
241.12781	3.1
246.14812	0.9
264.16016	2.0
282.16992	0.9
283.63071	0.7
308.15070	3.3
311.25223	0.8
326.16058	100.0
327.09387	1.2
327.16501	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	327.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57965	0.9
63.24101	0.8
69.42365	5.0
69.42770	1.5
70.53072	0.9
72.99300	3.8
98.20602	1.9
117.03468	21.0
119.05025	44.5
120.05340	1.8
134.03711	1.3
135.04520	15.5
145.02953	100.0
146.03262	4.2
163.04004	31.6
163.05005	0.6
164.04341	1.5
181.05060	52.4
182.05322	2.3
183.71997	0.8
200.45924	0.8
255.41243	0.9
266.32455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95496	2.4
53.13044	2.5
57.03445	5.7
58.18388	3.1
59.01383	23.2
70.60651	7.4
71.01379	100.0
72.99315	21.5
82.04086	2.7
85.02944	8.0
87.00874	37.8
89.02456	13.9
101.02429	7.7
101.06054	3.2
113.02459	2.8
115.00378	25.1
117.01913	3.1
129.01935	13.8
133.05040	5.8
134.04659	3.1
135.03001	9.8
147.02988	82.3
147.06625	60.4
148.03255	3.5
191.05606	7.7
319.41968	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1084
Annotation	Paeonoside
Peak:m/z	Relative Intensity
59.01376	14.8
61.98818	0.8
69.55681	1.9
70.03027	0.3
71.01388	1.4
73.02934	0.7
78.95888	0.3
85.02953	1.0
89.02451	0.5
93.03455	5.3
95.01324	0.3
99.00865	0.3
101.02454	0.6
101.24742	0.3
107.05001	0.3
113.02435	0.8
114.05605	0.3
119.04996	1.0
121.06591	7.5
121.07432	0.6
122.06888	0.3
123.04568	0.3
147.04474	0.7
161.04529	0.8
163.03978	0.4
165.05557	100.0
166.05875	4.9
207.06389	0.3
319.24771	0.3
327.10809	3.3
328.10883	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88264	0.6
51.59281	0.6
55.01879	0.9
57.03463	1.4
57.38273	0.6
58.00605	1.0
59.01379	100.0
59.46362	0.8
61.98839	1.6
68.74634	0.8
69.03458	1.8
70.35797	2.5
71.01381	40.6
72.99307	1.3
73.02945	57.6
75.00880	1.3
83.01388	14.4
85.02953	5.0
87.00906	1.0
89.02442	7.9
95.01385	1.5
96.96068	0.8
101.02444	43.2
102.02760	1.3
102.05576	0.8
109.02933	1.1
113.02444	13.4
119.03495	3.0
119.05035	1.0
122.05944	0.8
123.04546	1.4
125.02441	2.7
131.03485	4.3
131.23592	0.7
135.04492	1.2
137.02412	0.8
143.03508	2.9
145.02948	1.6
147.04552	1.0
149.04588	4.9
155.03447	1.7
161.02428	1.3
161.04567	9.3
165.05486	1.6
167.01694	1.1
178.39830	0.8
203.05687	1.2
207.10303	0.8
209.05908	0.8
221.06645	2.8
240.04330	1.5
283.06055	2.0
327.05185	6.4
327.14233	2.4
328.05417	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01116	22.7
51.59570	22.5
72.35724	22.9
108.20352	25.5
111.94454	22.4
120.13701	27.5
132.91808	26.8
137.54080	24.0
138.74492	29.4
212.64105	25.1
229.45699	35.6
232.94873	24.5
291.19690	100.0
300.84763	29.4
327.21823	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44519	0.3
55.01870	0.4
57.03450	2.0
57.23339	0.3
58.00608	0.4
59.01354	0.6
69.03445	1.5
69.61927	2.0
71.01380	0.9
71.05008	0.7
73.02923	0.4
77.08992	0.3
83.05002	1.0
84.02156	0.8
85.02460	0.5
85.02950	7.0
95.05022	1.0
97.02969	0.9
97.06590	4.5
101.91354	0.3
104.35139	0.3
105.96198	0.3
109.06564	0.4
110.03741	0.4
111.08155	0.4
119.08638	0.7
123.08131	0.5
125.09704	1.4
127.11275	2.0
137.09723	1.9
138.10098	0.3
155.10760	1.0
155.14328	0.5
157.18790	0.3
163.11270	0.4
165.12807	0.9
167.14375	1.1
171.10266	16.6
172.10594	0.7
177.12831	1.1
183.13892	4.8
184.14392	0.4
185.11850	1.8
193.12340	0.9
197.11812	0.7
201.11319	0.5
203.10733	1.1
209.11829	1.5
211.13393	20.7
212.13753	1.4
221.11859	2.8
229.14442	12.7
230.14798	1.1
239.12868	2.4
247.20703	0.5
257.13889	0.4
278.62836	0.4
291.19580	2.7
309.20602	1.3
327.21747	100.0
328.22067	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
55.01854	0.3
55.28625	0.4
57.07127	0.4
57.80923	0.3
58.00592	2.3
59.01377	2.6
67.08746	0.4
69.03471	0.5
69.83331	0.8
69.83738	1.2
92.66455	0.4
97.06570	1.9
109.06526	0.6
111.08158	8.2
119.05099	0.4
127.07635	1.4
141.09213	0.4
149.02425	0.4
153.12831	0.8
161.02533	0.5
167.10760	0.3
169.12358	5.8
181.12401	2.0
183.13870	1.0
193.12331	0.7
197.11823	46.3
198.12196	2.3
199.13391	7.7
211.13393	6.0
215.85515	0.4
221.11780	0.5
227.12851	1.0
229.14478	0.8
229.19514	0.4
239.16580	0.5
291.19690	2.5
309.20688	2.2
327.21750	100.0
328.18326	0.7
328.22119	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15939	0.7
57.03449	8.8
58.00587	2.0
62.26084	0.7
63.83358	0.6
69.94594	2.2
69.95000	1.5
71.01377	0.8
72.77570	0.6
73.02954	1.3
76.30418	0.7
87.04498	0.8
97.06603	1.2
111.22132	0.7
113.09731	20.3
114.10043	1.2
114.64179	0.7
123.08123	1.1
123.89208	0.6
125.09728	8.2
127.11303	9.7
128.11647	0.7
137.09708	2.6
138.54480	0.7
139.11250	1.4
141.09221	1.4
151.11295	2.7
153.09166	2.0
155.10777	3.4
157.12320	0.9
165.09192	3.4
171.10269	7.6
195.10277	2.4
199.09691	3.7
201.11324	67.1
202.11668	3.3
202.14757	0.9
213.11319	39.5
214.11673	2.4
227.12900	1.3
247.20534	0.8
291.19662	7.3
309.20688	16.1
310.21231	0.9
327.21744	100.0
328.22083	12.0
348.19684	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.9
69.03453	1.3
69.34343	4.1
69.34682	0.8
71.01366	1.2
83.05025	1.2
85.02947	5.9
95.05029	0.9
97.02931	0.7
97.06570	5.6
98.19845	0.9
99.10855	0.6
121.10159	0.6
125.09710	1.8
127.07633	0.6
127.11260	2.1
133.36143	0.5
137.09679	1.5
155.14388	0.7
165.12785	1.8
167.14380	1.5
167.90326	0.5
171.10262	14.7
172.10600	0.7
177.12762	1.3
183.13876	5.5
185.11845	1.5
193.12300	1.8
199.13269	0.6
201.11301	0.8
209.11823	2.2
211.13379	27.4
212.13684	0.9
221.11772	5.3
229.14423	14.4
230.14740	0.8
239.12843	2.7
242.46281	0.5
291.19708	3.2
309.20636	1.2
327.21735	100.0
328.22128	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	327.254
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
59.01372	5.1
61.48993	1.2
61.98807	1.7
65.27920	1.0
70.37907	4.6
80.10776	1.1
83.05022	1.7
89.02435	3.3
91.04006	5.4
146.26363	1.2
156.43245	1.4
162.46474	1.1
183.01137	1.8
184.01479	1.7
185.00795	5.2
188.38588	1.2
223.42342	1.2
234.56622	1.1
235.20656	26.2
236.21045	2.1
253.21713	100.0
254.22028	8.2
316.37292	1.3
327.18286	12.0
327.21939	2.9
327.28970	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	327.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34181	2.4
56.67539	2.9
57.12640	2.7
59.01359	7.1
61.98835	4.1
69.51243	13.8
69.51673	6.0
71.73948	2.9
80.04846	2.6
83.05015	9.4
91.03992	6.1
113.31816	2.8
117.91379	2.6
118.04705	3.1
131.09789	2.5
144.72974	2.7
185.00755	6.9
235.20636	23.4
253.21715	100.0
254.21988	10.7
257.06070	2.8
327.18246	17.2
327.21652	5.5
327.28766	3.9
328.18250	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	328.1764
Annotation	Heliotrine N-oxide
Peak:m/z	Relative Intensity
59.01371	2.1
71.05019	1.0
71.51492	1.0
72.74469	0.6
75.20898	0.5
76.96088	0.5
84.04543	6.7
96.96101	0.5
97.02958	3.5
98.02484	0.9
99.00884	1.7
102.05608	48.2
103.05944	0.9
108.69258	0.5
109.06611	1.0
110.03741	0.8
111.67004	0.5
125.09726	2.1
135.08203	0.9
136.05296	0.9
140.07103	0.8
142.02722	0.8
152.99731	0.6
153.12964	0.7
161.09752	0.7
163.11276	5.7
163.57947	0.5
168.69572	0.6
175.23787	0.6
180.13855	0.7
181.12334	12.4
182.12724	0.8
197.11795	0.9
206.11827	0.6
207.10245	33.5
208.10561	2.5
224.12917	3.4
225.11304	39.8
226.11620	3.3
266.17532	1.2
310.16638	3.4
328.17633	100.0
329.06726	0.7
329.18085	8.3
331.01547	0.6
336.24319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26210	0.8
59.01370	2.3
69.26621	5.0
71.05035	0.7
72.12208	0.7
72.99288	0.7
84.04546	5.6
96.96025	1.3
97.02959	4.2
97.35025	0.6
99.00891	1.7
102.05610	49.4
103.05982	0.8
109.06609	1.4
110.03711	1.2
125.09702	1.6
136.05342	0.7
140.07108	0.7
142.02667	0.7
148.72984	0.7
163.11311	5.5
173.68489	0.7
180.13950	0.8
181.12357	11.4
182.12776	1.3
195.41486	0.6
197.11827	1.1
207.10258	32.1
208.10555	1.7
224.12923	4.0
225.11320	40.0
226.11685	2.8
266.17514	1.0
270.21576	0.7
310.16617	4.1
314.04355	0.8
328.17639	100.0
329.06546	1.1
329.14520	0.7
329.18039	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	329.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69316	0.5
54.92035	0.5
59.01378	39.3
61.98819	2.4
74.99338	0.5
76.51162	0.5
87.00878	1.0
93.35035	0.5
103.81097	0.5
115.02489	2.1
117.00458	2.9
125.00949	1.0
126.98854	1.6
143.02005	4.3
157.03528	0.9
159.01491	55.7
160.01624	4.7
166.19135	0.5
168.99918	3.6
170.97882	1.0
187.00975	100.0
188.00534	11.8
201.02556	14.1
202.02708	1.2
217.00285	0.6
241.00552	1.8
265.32065	0.7
287.01129	2.8
311.01178	1.4
314.03970	0.8
322.66702	0.6
329.02255	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	329.085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93232	0.7
59.01375	0.9
60.19339	0.7
61.98829	100.0
71.50067	0.9
89.07283	0.9
116.90981	0.7
123.04502	0.9
124.78864	0.7
134.04732	0.9
152.01158	0.7
152.98842	0.7
186.71513	0.8
216.14473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0869
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.48657	0.7
59.01382	3.8
61.98827	24.6
63.71386	0.7
71.01381	11.2
71.50599	1.5
73.02962	4.1
75.00852	0.8
81.10316	0.7
81.10790	0.8
85.02925	4.2
87.00886	1.2
89.02477	1.8
93.03430	0.8
95.01386	0.9
99.00903	1.4
99.04475	0.9
101.02450	7.5
108.02180	4.8
109.02953	3.2
113.02451	4.7
113.63947	0.7
121.02940	2.4
122.03737	100.0
122.06094	1.8
123.04578	16.8
135.04567	1.3
136.07582	0.9
137.02475	1.8
137.06108	1.4
143.03525	1.2
147.04530	1.5
149.06038	1.2
150.05614	4.9
152.01169	2.1
159.02965	0.8
161.04546	12.9
165.05574	5.7
167.03456	6.7
177.05550	2.0
188.85410	0.9
191.05635	1.1
221.28180	0.8
222.75610	0.7
285.09848	3.2
289.56964	0.8
290.94479	0.7
292.94180	0.8
312.10962	3.1
329.08795	7.4
330.12131	2.0
330.16568	1.3
330.27274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.3
67.01871	2.4
69.03450	0.9
69.44397	4.4
69.44804	2.0
71.01379	17.3
72.99319	2.0
74.02504	0.9
81.03445	1.1
83.01390	1.9
85.02954	2.7
89.02457	8.4
91.01872	2.4
95.01393	3.3
98.20617	2.1
101.02434	8.4
102.98611	2.2
107.01411	2.2
108.02180	5.1
109.02950	3.4
111.00865	3.1
113.02441	5.3
119.03479	3.2
122.03719	1.4
123.00908	4.4
123.04507	20.3
125.02411	4.5
125.05907	1.1
135.04491	1.0
139.00381	0.8
143.07123	0.9
150.03253	1.6
151.00380	10.5
152.01161	20.4
164.01129	1.6
165.01839	1.1
165.05467	1.6
166.02722	15.0
167.03485	84.5
168.03868	4.4
181.05045	14.9
182.05382	1.1
194.02188	10.4
195.02692	1.1
209.04544	100.0
210.04903	5.0
226.71448	1.0
230.41754	0.9
239.05582	15.9
240.05872	1.4
269.06644	30.7
270.06973	1.5
300.15598	1.0
314.04190	1.4
329.09222	5.7
330.12018	1.6
330.16306	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	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.06009	0.4
55.01846	0.4
59.01370	1.1
61.98833	1.2
66.30483	0.4
70.17080	0.4
70.83170	1.2
71.01382	0.8
78.37275	0.4
78.95901	0.6
84.66441	0.5
85.02956	0.5
88.04029	0.5
106.83960	0.5
108.02172	54.5
109.02483	1.7
123.00857	0.6
123.04529	22.3
124.04881	0.7
152.01152	36.5
153.01511	1.5
167.03493	100.0
168.03833	4.4
226.64812	0.4
317.78796	0.4
329.08850	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44684	0.6
59.01378	100.0
70.65520	1.4
71.01367	4.4
73.02956	1.8
83.01377	0.6
83.67113	0.6
85.02959	2.0
88.04037	0.9
89.02456	0.6
95.01452	0.6
99.00877	0.7
101.02444	3.3
102.05606	4.6
103.00345	0.6
108.02169	0.9
113.02456	1.9
118.98084	2.2
123.04496	0.6
130.08774	0.8
139.06757	0.5
161.04527	3.5
165.12839	0.6
167.03534	1.5
209.11807	13.5
227.12880	6.6
269.10321	5.6
329.10324	0.6
330.15680	1.5
330.19418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	1.0
61.98850	0.5
69.35766	1.2
69.36185	3.4
71.01383	3.6
73.02932	1.2
78.95816	0.5
80.08810	0.5
81.03448	0.5
83.01373	0.8
83.05025	1.9
85.02971	2.1
95.01325	0.6
96.23179	0.5
101.02412	3.9
102.05611	8.1
102.15681	0.6
102.97259	0.6
109.02999	1.0
112.24381	0.6
113.02461	2.1
130.08696	0.8
159.03221	0.7
161.04564	3.7
163.11293	1.2
167.03526	0.6
177.84050	0.6
209.11816	25.6
222.76582	0.5
227.12852	12.3
249.61443	0.6
252.86314	0.6
265.62637	0.6
269.10236	4.7
286.16669	1.0
329.10751	0.5
329.16486	0.8
330.20316	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34197	0.4
59.01377	100.0
60.01711	1.2
66.56097	0.5
70.47475	1.3
78.74641	0.4
88.03873	0.5
105.61614	0.5
115.54852	0.5
157.31483	0.5
165.12761	0.6
207.13991	0.6
209.11829	1.7
225.14941	82.4
226.15294	6.2
251.12906	0.5
269.13910	13.2
270.14374	0.9
287.15015	1.8
329.16022	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	329.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92096	17.0
59.01373	100.0
60.97199	19.3
71.53088	18.6
76.07481	17.4
86.10445	16.5
127.68857	21.7
152.99562	26.3
180.59599	22.6
205.54337	19.7
211.07436	19.7
219.34114	18.7
293.21106	59.8
314.04227	37.2
329.06631	24.7
354.72314	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
58.00589	1.6
59.01377	2.9
63.91594	0.4
70.26862	1.4
87.42712	0.4
97.06553	0.6
99.08160	8.0
111.08141	0.4
113.09720	0.7
124.17073	0.4
127.07654	1.6
129.09206	6.7
135.39267	0.4
149.13277	0.4
151.11342	0.5
153.12790	0.7
155.14435	0.8
167.14374	0.4
168.46777	0.3
169.12326	4.8
181.12360	5.0
183.13885	1.7
193.12334	1.9
197.11804	2.2
199.13402	17.5
200.13622	1.0
211.13387	13.7
212.13628	0.8
227.12874	0.7
227.23608	0.4
229.14435	1.7
251.48622	0.5
293.21228	3.7
311.22223	2.1
329.23312	100.0
330.23645	10.4
331.52603	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2331
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
53.49030	0.6
57.03439	0.9
70.26776	1.9
71.05014	0.7
99.08150	5.4
125.09768	1.4
127.11282	3.9
139.11273	5.7
155.14352	0.9
157.12386	0.9
160.32324	0.5
167.14339	1.5
171.10248	14.1
172.10503	0.6
183.13864	6.0
193.12350	1.8
209.11795	1.0
211.13383	26.5
212.13647	1.9
229.14433	15.4
230.14680	1.6
247.60837	0.6
329.23297	100.0
330.23605	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2332
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.01420	0.5
50.51783	0.5
57.03433	0.8
58.00589	1.1
59.01378	3.5
61.98821	0.6
62.54253	0.4
69.30238	3.1
69.30654	1.1
70.93605	0.5
72.99297	0.4
73.02969	0.8
74.86562	0.4
84.02161	0.8
97.06597	0.5
99.08163	3.0
112.58768	0.4
125.09703	2.8
127.07607	1.0
127.11300	5.2
129.09239	3.4
131.09708	0.5
139.11314	3.6
141.09258	0.7
142.09622	0.4
155.10765	2.9
165.09239	0.7
169.12363	2.3
171.10266	22.8
172.10646	1.2
181.12277	1.2
183.10275	0.7
183.13956	1.0
185.11836	2.0
186.12164	1.5
187.12393	1.6
197.11806	2.1
198.12196	1.1
199.09770	1.0
199.13504	5.5
200.04774	0.9
201.11314	14.0
211.13426	4.8
227.03189	0.5
227.12949	0.5
229.14420	0.9
271.02252	0.5
273.39374	0.4
275.20172	1.5
293.20728	2.2
311.13010	1.4
311.21735	4.1
312.13623	0.5
314.04333	1.5
329.14182	2.1
329.23279	100.0
330.23639	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	329.2331
Annotation	9,12,13-TriHOME
Peak:m/z	Relative Intensity
50.96647	1.1
52.80195	1.0
59.01373	6.0
61.98821	1.5
63.65426	1.1
71.52594	1.6
75.27458	1.0
83.05023	1.2
86.69324	1.1
93.03468	2.2
99.08140	5.7
119.05016	1.3
125.09733	3.0
127.07695	1.6
127.11264	2.6
129.09203	7.6
133.02875	1.6
135.04533	3.1
139.11256	3.2
141.07111	4.7
153.12816	1.7
156.31544	1.0
159.08093	1.6
169.12354	2.1
171.10326	10.5
172.51234	1.0
173.04584	2.7
178.02733	1.1
179.03484	1.3
181.12347	2.9
183.13876	1.9
192.27499	1.0
193.12270	2.0
199.13397	10.4
201.11261	5.4
204.28766	1.2
207.10065	1.2
211.13387	8.8
229.14499	1.4
243.11282	1.3
271.02643	1.1
275.20135	2.1
293.21158	2.6
311.16547	3.1
311.22314	2.9
314.04239	2.3
329.06879	1.2
329.23312	100.0
330.23679	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	330.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
60.17627	0.8
60.65703	0.9
61.53114	0.9
61.98830	100.0
64.09815	0.8
69.14612	8.8
73.59701	0.9
96.96014	1.6
135.04533	1.9
220.51019	1.1
299.57901	0.9
324.71021	0.9
331.18924	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	330.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89368	0.5
53.53082	0.5
58.07867	0.5
59.01378	8.4
59.60950	0.5
60.01706	1.2
61.98820	0.8
70.57707	1.2
70.58073	1.2
71.01388	1.8
71.05004	0.6
72.73744	0.6
80.02678	0.7
81.03452	1.2
83.05012	5.2
83.57437	0.6
84.02158	1.2
84.04542	0.8
85.02938	1.2
89.16267	0.5
101.02447	1.2
101.75468	0.5
102.05605	29.3
103.05914	0.7
113.02438	1.0
119.05039	0.7
125.06046	0.5
125.09689	0.8
129.01950	0.5
129.78549	0.5
135.08153	0.8
163.11292	2.7
165.12831	2.5
181.04973	0.7
181.12309	0.6
191.10760	1.0
209.11809	100.0
210.12183	7.0
227.12869	49.8
228.13168	2.7
268.15582	0.9
286.16605	2.3
295.12030	0.7
330.19229	2.8
331.13318	0.7
331.17404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	3.1
61.98830	0.9
62.96165	0.6
65.03967	0.7
69.74236	3.7
71.01389	0.8
72.99306	41.5
84.11497	0.7
85.02970	0.8
104.03530	5.7
119.05030	1.1
120.99639	2.4
121.02973	0.9
125.00671	4.2
133.02956	1.5
137.02377	0.8
138.01402	1.1
139.02225	1.1
141.00168	1.6
149.00691	1.1
149.02368	0.9
153.00165	2.1
154.00931	21.0
157.03267	1.2
157.19423	0.7
163.03999	0.9
165.00095	2.2
166.00929	40.3
167.01628	4.1
168.99606	1.9
169.03270	18.7
170.03606	1.1
173.04584	0.8
181.03358	4.9
181.04861	1.4
182.00397	1.9
183.01201	14.5
184.01741	0.7
185.99911	2.5
195.10233	3.1
197.02904	0.7
201.02226	1.6
209.11916	0.7
209.99918	9.8
225.02258	33.7
226.02580	2.3
228.01036	1.2
243.03296	100.0
244.03613	4.8
249.62073	0.7
287.17880	0.7
313.12827	1.3
331.04904	65.3
331.13687	2.0
331.20352	1.0
332.05261	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	331.1913
Annotation	Sarcostolide G
Peak:m/z	Relative Intensity
56.62928	0.3
57.03438	0.8
59.01361	0.9
61.98827	0.4
62.62273	0.3
85.06583	1.1
93.03469	0.4
95.05032	1.1
97.06516	0.3
98.20149	0.3
109.06545	0.4
111.62769	0.3
118.60073	0.3
121.06613	0.6
123.08150	0.5
133.03030	0.5
135.04509	1.4
135.08138	1.4
141.81851	0.3
143.79933	0.3
156.80911	0.3
161.02415	0.9
163.68820	0.3
165.09169	0.8
173.04597	0.6
179.03500	1.5
185.24577	0.3
225.12549	0.3
239.14397	0.5
241.15991	1.3
248.81482	0.3
253.15952	1.6
255.17520	1.3
257.19089	2.2
267.17542	1.8
269.15628	0.6
269.19107	3.3
270.19370	0.4
271.16858	0.4
285.18597	6.9
286.18832	0.8
287.20151	26.7
288.20493	3.5
331.19128	100.0
332.19455	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	331.1914
Annotation	Sarcostolide G
Peak:m/z	Relative Intensity
53.06811	0.3
53.27385	0.4
57.34188	0.4
59.01391	0.5
69.03446	0.5
69.20096	3.9
71.01378	0.5
71.05019	1.4
72.02164	0.4
73.02907	0.4
96.96009	0.5
99.04514	2.9
101.06084	0.9
114.39825	0.4
121.06535	0.4
133.02928	0.5
135.04526	0.4
135.08208	0.5
137.09763	0.5
149.09744	0.4
153.09207	0.7
163.11261	0.4
173.04495	0.7
179.03561	0.6
181.07980	0.4
185.13544	0.4
187.14891	1.0
241.15987	1.6
255.17572	0.4
257.19122	6.7
258.19446	0.4
259.92545	0.4
269.15622	0.7
269.18961	0.6
271.17010	2.1
285.18579	9.9
286.18976	1.3
287.20151	24.7
288.20529	2.6
316.04144	0.4
331.19128	100.0
332.19485	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	331.1913
Annotation	Sarcostolide G
Peak:m/z	Relative Intensity
53.18252	0.3
57.03453	3.7
59.01381	0.3
69.03455	0.7
69.26506	2.5
93.03434	0.3
107.04971	0.4
108.02153	0.4
109.06578	0.5
119.64436	0.3
120.05832	0.5
121.06533	0.7
123.08164	0.5
135.08160	0.4
137.09714	5.1
138.95677	0.3
149.09711	2.7
161.02400	0.3
165.12801	1.5
171.10182	0.3
173.04518	0.4
173.09718	0.3
174.34619	0.3
175.11211	0.5
179.03500	0.4
185.09747	0.3
187.11269	0.7
189.12817	0.6
193.94649	0.3
201.11365	0.6
202.03462	0.3
213.12833	0.9
253.15974	6.8
254.16220	0.9
269.15491	3.2
269.19092	8.5
270.19382	0.5
271.17108	1.6
285.18594	7.3
286.18854	0.8
287.20154	8.7
288.12341	1.4
288.20468	0.8
313.11960	0.7
331.19128	100.0
332.19495	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	331.1913
Annotation	PGB3
Peak:m/z	Relative Intensity
52.22871	0.2
57.03448	0.4
59.01374	0.4
59.80423	0.2
60.99305	0.3
63.47771	0.2
69.45435	2.1
73.12492	0.2
93.03462	0.3
93.38752	0.3
95.05021	0.8
97.06599	2.4
99.08154	3.5
107.12038	0.2
107.29727	0.3
135.04553	0.6
141.07039	0.3
163.95094	0.2
169.10252	0.5
173.04543	0.6
202.11766	0.3
243.17496	0.4
243.26979	0.2
265.15884	0.6
267.17603	0.7
269.19159	1.9
287.20157	6.9
288.20554	0.9
305.21204	0.9
313.18008	1.3
331.19122	100.0
332.19464	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	331.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
63.25008	0.2
71.09327	0.4
85.71169	0.2
97.02950	0.9
99.28471	0.3
111.04505	0.4
122.26946	0.2
173.04610	0.3
193.12177	0.2
203.22862	0.3
233.11472	0.2
246.55208	0.2
261.10971	0.5
262.11826	3.4
263.12195	0.4
303.19632	0.3
311.70734	0.2
313.18030	0.4
316.17020	0.3
331.19119	100.0
332.19470	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	331.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01351	0.8
61.98824	0.6
62.31412	0.5
63.66845	0.5
71.52389	0.5
71.52813	0.7
82.44143	0.5
93.03461	0.7
133.02946	0.7
135.04529	1.0
161.02379	1.2
173.04562	1.2
179.03470	1.0
186.47005	0.6
197.80911	0.5
217.00308	0.5
224.29935	0.5
287.20111	1.8
331.19125	100.0
332.19501	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	331.1912
Annotation	3,8-Dihydroxyserrulatic acid
Peak:m/z	Relative Intensity
53.24240	0.3
57.03442	3.2
59.01352	0.4
69.46613	0.5
69.47027	1.3
77.10970	0.3
93.03468	0.3
95.84629	0.3
97.06613	0.6
98.20733	0.3
110.65746	0.2
121.06574	1.4
123.04552	0.5
135.04483	0.5
137.09712	28.1
138.10056	1.4
144.60233	0.3
153.05539	0.6
161.02425	0.5
161.58572	0.3
173.04478	0.6
179.03528	0.5
187.11214	0.3
237.12782	0.6
251.14244	0.3
253.15944	12.9
254.16324	1.0
267.17465	0.9
269.19083	27.1
270.19382	2.7
287.20135	6.9
288.20499	0.6
305.21155	1.0
331.19107	100.0
332.19479	12.3
332.22577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1914
Annotation	PGB3
Peak:m/z	Relative Intensity
57.03442	1.3
59.01397	0.2
65.59260	0.3
71.41129	0.4
96.56022	0.2
97.06574	0.7
99.08139	0.8
129.76324	0.3
135.04501	0.3
137.09731	3.8
141.07130	0.3
167.08601	0.4
169.10236	0.4
171.11755	0.6
201.12865	0.3
214.86354	0.2
241.15836	0.3
243.17546	0.4
253.15895	0.5
267.17563	0.9
269.19083	28.3
270.19510	2.9
287.20148	10.3
288.20401	1.2
301.17938	0.4
313.18390	0.3
331.19113	100.0
332.19467	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38844	0.3
63.18777	0.3
67.87796	0.3
69.85320	0.3
70.07343	1.2
78.03583	1.0
80.05138	0.6
92.05164	1.7
94.03052	0.5
94.06728	3.2
98.20575	0.4
103.04385	0.5
104.05069	3.2
105.03449	2.7
106.03098	0.4
106.06618	11.7
107.03841	0.7
107.07072	0.4
108.04546	1.8
110.82221	0.3
120.04546	5.4
121.05421	1.4
122.02564	0.6
122.05276	0.5
122.06117	14.3
123.03276	1.9
123.06507	0.5
124.07790	1.0
131.03842	0.6
132.04556	8.0
135.03357	0.3
136.04103	0.5
138.05598	23.2
139.06071	0.9
140.07216	0.5
148.04121	0.7
150.05571	2.6
154.50974	0.3
158.09869	0.3
159.06970	0.5
166.05153	0.5
173.08557	0.4
174.12947	0.7
174.65688	0.3
184.11409	0.4
188.07185	0.5
189.08055	1.2
202.08743	0.5
202.12402	0.4
203.09428	0.5
209.11934	1.3
213.06825	0.8
214.07487	0.3
215.11993	1.4
217.07437	2.1
217.36446	0.3
227.12042	0.4
228.09010	0.6
229.09753	0.6
231.09146	0.6
231.11310	0.6
241.09802	2.9
243.11375	1.5
259.10852	0.6
271.10840	1.0
289.11917	100.0
290.12247	8.8
333.10809	10.7
333.17117	0.7
333.20627	0.8
334.11050	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14412	0.6
55.59324	0.6
59.01367	1.5
69.59511	3.0
69.59924	1.2
78.03481	0.6
80.05035	0.8
87.00890	1.3
92.05045	2.2
94.06610	4.7
98.20474	1.9
103.04309	0.7
104.05079	2.8
105.01887	1.4
105.03438	1.9
106.02986	0.7
106.06628	12.1
107.03771	1.1
107.06938	0.6
108.04554	0.9
112.59995	0.6
116.09469	0.6
120.04572	4.9
121.05351	1.5
122.02464	0.6
122.06112	12.6
123.03229	1.9
131.03680	0.9
132.04562	6.5
135.03252	0.8
136.04004	0.8
138.05608	19.9
139.05957	0.8
148.04051	0.9
150.05605	3.0
166.05106	0.9
177.41779	0.7
189.07883	1.3
209.11757	0.8
211.04832	0.5
212.09550	0.8
213.06665	0.7
215.11867	1.5
217.07326	2.0
231.08983	0.9
241.09767	3.4
243.11392	1.8
271.10928	1.0
273.17093	0.7
289.11923	100.0
290.12308	8.8
333.10864	10.9
333.15402	2.9
333.19064	0.8
334.11304	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.0
61.18699	0.7
61.98835	1.6
66.79431	0.7
69.28384	4.0
69.28810	2.6
70.67841	0.7
72.22902	0.8
73.69586	0.7
79.98604	0.7
83.05016	1.6
90.64203	0.8
91.04018	1.4
96.95992	3.6
98.20098	3.0
105.01927	6.4
111.08146	1.3
116.26375	0.8
118.71648	0.9
125.09673	1.0
127.11330	1.3
137.09714	13.5
141.09158	1.0
153.09216	1.5
155.10773	100.0
156.11118	5.3
171.10268	31.3
172.10666	1.3
181.08698	4.2
193.93956	0.8
199.09740	20.1
200.10112	1.5
209.11737	0.8
209.46298	0.7
215.12852	6.2
217.10793	42.6
218.11115	2.7
259.11789	1.3
273.13422	19.5
273.16483	1.2
274.13751	2.1
287.18500	1.1
291.14484	81.8
292.14819	8.7
303.39606	0.8
315.18137	0.9
333.15454	37.8
333.19223	13.9
334.15793	3.3
334.19437	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	333.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75466	0.2
60.76939	0.2
61.97820	0.2
69.19006	0.8
69.19426	0.8
135.04539	0.2
138.70313	0.2
162.03204	0.2
227.82988	0.2
275.09167	0.2
289.21463	0.2
333.20682	100.0
334.21005	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	333.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
61.98824	0.4
69.17783	2.2
69.18198	0.7
72.99275	0.3
95.05022	0.5
99.92554	0.3
137.09702	1.1
144.79234	0.3
171.95477	0.4
184.01219	0.3
201.12772	0.5
215.12743	0.4
238.34752	0.3
267.17615	0.4
269.19135	0.6
271.17029	3.2
271.19693	0.4
285.15546	0.4
285.18555	1.4
287.20148	15.0
288.20413	1.5
311.82782	0.3
333.20688	100.0
334.21060	11.0
334.25137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2068
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
61.63193	0.4
69.03438	1.9
69.42738	3.0
80.02681	2.5
95.05018	0.5
96.10428	0.4
96.53826	0.4
105.63391	0.4
106.79774	0.4
147.08162	0.7
154.29813	0.4
195.94490	0.4
196.64352	0.4
225.94275	0.4
255.17584	0.8
269.19098	5.3
270.19562	0.5
271.20648	14.7
272.20944	1.6
285.62488	0.4
287.20181	6.5
288.20514	0.8
289.21729	42.9
290.22137	3.8
317.39359	0.4
333.20703	100.0
334.21039	12.1
334.25134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.207
Annotation	PGB2
Peak:m/z	Relative Intensity
51.05105	0.2
52.04879	0.2
57.03442	0.5
59.01369	0.5
60.99302	0.4
71.50568	0.2
83.50983	0.2
117.21500	0.2
121.06588	0.3
135.04488	0.2
137.09694	0.5
161.02399	0.3
165.09154	1.1
168.39771	0.2
189.12793	0.3
194.43491	0.2
245.19212	0.2
269.19052	3.7
269.81473	0.3
270.19370	0.3
271.17044	3.0
271.20627	5.3
272.17542	0.3
272.21027	0.7
275.09012	0.3
287.20139	3.9
288.20471	0.2
289.21649	1.8
289.51868	0.2
290.21982	0.3
307.22754	2.1
315.19632	3.2
316.19962	0.4
333.20676	100.0
334.20999	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	333.207
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
57.03162	0.3
57.03448	6.4
66.69233	0.2
70.81980	0.4
72.99283	0.3
76.50895	0.2
121.09609	0.2
123.31989	0.2
133.06570	0.6
137.09731	0.4
145.44217	0.2
149.09711	1.4
201.12840	0.7
213.12845	0.3
217.15823	0.3
238.98073	0.2
253.15765	0.2
271.17026	5.3
272.17349	0.6
285.18634	2.8
286.19092	0.3
287.20148	16.2
288.20490	1.7
333.20685	100.0
334.21021	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	333.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45640	0.2
57.03432	0.3
61.98817	0.5
69.69025	1.5
83.05014	0.7
89.32346	0.2
98.19992	0.4
99.04493	0.4
102.39532	0.2
106.42484	0.2
161.70894	0.2
201.12843	0.4
202.13669	0.8
203.14394	4.7
204.14726	0.6
204.34407	0.3
205.15950	0.3
213.58247	0.2
217.15952	1.0
229.16019	0.6
234.12604	3.1
235.12950	0.4
255.17514	0.3
269.19095	4.2
270.19467	0.7
271.17041	1.6
271.20547	0.4
272.17160	0.3
285.18613	0.2
287.20151	22.4
288.20502	2.1
333.20694	100.0
334.21036	11.5
334.25125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14059	0.2
59.01369	0.6
69.37536	1.0
69.37938	0.4
108.02203	0.2
109.02951	1.8
113.70648	0.2
121.02951	0.4
133.02963	0.9
135.04562	0.8
139.04057	0.2
149.02444	2.0
150.03270	0.2
159.04495	0.3
161.02451	2.2
179.03482	0.5
203.03479	0.5
267.06555	1.1
269.08127	0.7
277.92462	0.2
287.20148	0.6
289.21744	0.3
299.61404	0.2
309.69684	0.2
311.05539	0.2
315.19604	0.2
333.20700	100.0
334.21045	12.8
357.06195	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.4
69.36584	0.6
69.37001	1.3
95.05023	0.5
107.05005	0.3
107.51733	0.3
121.06570	0.7
123.08176	0.3
133.02925	0.4
134.03705	0.4
148.05237	0.5
161.02225	0.3
214.12317	0.3
231.10123	0.5
245.15433	1.5
257.19104	0.3
269.19012	1.1
271.17072	1.0
275.09265	0.9
285.18671	0.4
287.20142	40.7
288.20486	4.5
289.21228	0.5
307.22699	0.8
326.74954	0.2
333.20685	100.0
334.21027	12.2
334.25150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.207
Annotation	PGB2
Peak:m/z	Relative Intensity
69.17934	2.2
76.72353	0.2
90.57241	0.2
95.04970	0.3
97.06606	0.4
99.08166	0.6
141.07260	0.2
145.00049	0.2
149.78023	0.2
171.71826	0.2
209.30795	0.2
237.16325	0.2
269.19110	0.2
271.17368	0.3
271.20667	6.5
272.20947	0.7
287.20096	1.5
289.21744	6.6
290.22189	0.6
307.22797	1.4
315.19632	1.9
333.20697	100.0
334.21042	11.1
334.25159	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17860	0.3
69.18287	0.6
81.12742	0.1
97.64496	0.1
98.19847	0.2
109.73814	0.1
121.12501	0.1
127.27860	0.1
142.46082	0.1
146.49347	0.1
248.08528	0.1
274.57623	0.1
303.19620	0.3
333.20685	100.0
334.21017	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	334.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.05671	1.8
69.60864	1.9
70.07291	4.8
94.53890	1.9
109.22726	2.0
204.15112	2.1
350.56992	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34057	0.6
54.11922	0.6
57.03441	2.3
59.01377	10.4
61.98824	1.9
69.68767	1.6
69.69175	1.4
71.01376	3.3
73.02938	2.5
83.05023	5.5
85.02946	2.2
89.02429	1.2
93.03462	0.7
93.26729	0.5
95.01357	0.6
96.95994	2.2
97.02959	0.8
99.00812	0.6
101.02442	5.9
109.06579	1.3
111.04523	0.9
111.08157	53.8
112.08481	2.2
113.02442	2.2
113.09720	1.1
120.99632	0.7
129.09212	2.5
135.04509	7.0
148.91032	0.7
151.07637	0.8
152.10243	0.6
153.09218	5.5
161.02373	1.2
168.84772	0.5
173.08179	100.0
174.08708	3.8
179.03470	3.1
183.94394	0.6
187.09746	4.5
197.08170	18.6
198.08495	1.2
215.09242	9.8
243.11377	2.1
245.10263	1.4
273.12384	1.1
275.11295	9.1
291.13416	1.0
317.11124	0.7
335.07849	1.4
335.12555	2.1
335.20865	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	335.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34057	0.6
54.11922	0.6
57.03441	2.3
59.01377	10.4
61.98824	1.9
69.68767	1.6
69.69175	1.4
71.01376	3.3
73.02938	2.5
83.05023	5.5
85.02946	2.2
89.02429	1.2
93.03462	0.7
93.26729	0.5
95.01357	0.6
96.95994	2.2
97.02959	0.8
99.00812	0.6
101.02442	5.9
109.06579	1.3
111.04523	0.9
111.08157	53.8
112.08481	2.2
113.02442	2.2
113.09720	1.1
120.99632	0.7
129.09212	2.5
135.04509	7.0
148.91032	0.7
151.07637	0.8
152.10243	0.6
153.09218	5.5
161.02373	1.2
168.84772	0.5
173.08179	100.0
174.08708	3.8
179.03470	3.1
183.94394	0.6
187.09746	4.5
197.08170	18.6
198.08495	1.2
215.09242	9.8
243.11377	2.1
245.10263	1.4
273.12384	1.1
275.11295	9.1
291.13416	1.0
317.11124	0.7
335.07849	1.4
335.12555	2.1
335.20865	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	335.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19340	5.4
55.02551	6.1
55.33264	5.8
59.01379	58.8
61.98822	11.4
69.31050	44.6
91.87455	5.1
97.80551	5.7
99.00632	9.9
151.02531	5.9
253.21687	100.0
254.22064	7.3
272.87613	5.7
277.86362	5.9
335.21997	92.2
347.00415	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	335.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91439	0.3
59.01377	3.1
61.98816	0.9
66.13428	0.2
71.01385	1.5
71.52505	0.4
73.02930	0.7
83.30962	0.3
85.02955	0.8
88.47735	0.4
89.02432	0.6
89.80779	0.3
99.94650	0.3
101.02435	1.2
109.02951	1.9
110.03231	0.4
113.02439	0.6
120.99658	1.5
121.02911	0.4
133.02927	1.2
135.04498	0.9
136.04855	0.5
147.04460	0.4
149.02408	1.3
150.03001	0.6
159.04475	0.6
161.02466	2.1
161.04573	0.7
162.02765	0.8
167.39075	0.3
167.72331	0.3
175.03841	0.3
178.02647	0.5
179.03505	0.6
206.74742	0.3
267.06375	0.4
269.08194	0.5
270.08563	0.5
335.22232	100.0
336.22565	12.6
358.06418	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97058	0.2
54.28369	0.2
57.03434	0.5
59.99990	0.2
69.03429	0.4
69.57110	0.4
69.57517	0.8
71.05019	0.2
74.49422	0.2
78.41282	0.2
79.42520	0.2
83.05022	4.5
151.58771	0.2
202.13625	0.3
203.14336	1.1
205.16019	0.2
219.17419	0.6
234.12535	1.0
237.16292	0.2
255.17404	0.3
259.20609	0.5
269.19153	1.3
271.17038	0.4
271.20599	0.4
273.18668	1.1
285.18542	0.3
287.20126	11.9
288.20514	1.4
289.21710	2.7
290.21997	0.3
335.22235	100.0
336.22592	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	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
59.37204	0.6
61.98827	1.2
69.86082	2.6
71.01348	0.7
80.42582	0.6
83.05013	3.1
83.40868	0.6
108.04568	1.0
110.54573	0.6
124.83746	0.6
131.51109	0.6
159.93956	0.7
203.14319	0.9
234.12566	0.7
245.49998	0.7
248.20099	0.6
255.17470	0.9
269.19049	1.1
273.18591	1.2
287.20190	9.9
289.21826	3.2
333.20590	0.6
335.22256	100.0
336.22632	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95814	0.2
57.03436	0.7
68.58890	0.2
69.44173	0.5
69.44588	1.3
72.99305	0.4
74.99092	0.6
88.80384	0.3
94.03477	0.2
133.06676	0.3
136.99136	0.3
191.60397	0.2
219.64326	0.3
250.59096	0.2
269.19046	2.2
271.16928	1.3
271.20410	0.5
271.73346	0.2
285.18652	1.0
287.20142	9.5
288.20532	0.8
289.21701	1.2
333.20706	0.4
335.22263	100.0
336.22580	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	335.2225
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
59.01357	0.3
61.98814	0.3
69.35461	0.6
69.35886	0.7
135.04532	0.4
157.74681	0.2
161.02478	0.3
177.15834	0.2
233.55975	0.2
291.44519	0.2
303.19824	0.2
333.20798	0.4
335.22238	100.0
336.22583	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
59.01377	22.1
67.01894	4.3
69.03456	0.7
69.70444	0.4
71.01375	2.6
71.09775	1.0
72.64704	0.4
81.03426	0.6
83.05006	0.9
84.70175	0.4
85.02950	2.4
87.00883	0.8
93.03455	25.0
94.03799	0.7
97.13698	0.4
99.04561	0.5
109.02963	1.1
111.00902	0.5
111.04517	4.6
119.05025	21.4
120.05365	0.9
127.04005	0.6
137.02440	4.4
145.02968	0.9
155.03496	4.4
163.04004	15.3
164.04340	0.7
173.04539	100.0
174.04868	4.0
191.05600	13.5
192.05997	0.6
203.26479	0.4
255.75778	0.5
276.45395	0.5
279.59033	0.5
337.09244	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	337.0929
Annotation	4-p-Coumaroylquinic acid
Peak:m/z	Relative Intensity
53.15180	0.6
59.01379	7.4
61.37081	0.5
61.98822	1.5
67.01894	0.9
70.26141	1.1
71.01379	1.6
73.02953	0.7
83.05028	0.9
85.02943	5.1
87.00872	1.9
89.02458	0.8
93.03470	7.6
93.87240	0.5
96.96032	0.6
111.04499	3.3
113.02452	0.6
119.05023	57.6
120.05353	2.6
127.03986	1.0
133.02963	0.7
135.04504	0.9
137.02446	1.5
145.02966	1.4
155.03481	3.2
163.04002	100.0
164.04359	5.1
173.04538	18.5
177.01953	0.8
191.05600	48.3
192.05930	1.8
250.06476	1.0
337.09296	9.3
337.15131	1.1
337.23831	0.6
338.09546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27816	0.7
57.03442	1.7
57.29947	0.8
59.01379	21.9
63.17353	0.7
64.50989	0.7
67.19965	0.6
68.99793	0.7
69.03451	0.7
71.01379	13.2
71.20715	0.9
72.99306	3.5
73.02924	1.4
75.00874	17.7
83.01357	0.9
85.02946	17.6
87.00867	7.1
87.04513	100.0
88.04857	2.0
89.02441	3.2
91.95805	0.8
93.03462	2.6
95.01402	4.3
99.00891	8.6
101.02428	2.0
103.00368	2.2
113.02451	20.6
115.00366	1.3
117.01930	2.2
119.05006	4.7
129.01958	1.4
129.09187	0.9
137.02504	0.7
142.53561	0.8
155.03526	0.9
163.04018	8.0
173.04555	7.4
175.02457	2.1
175.09753	1.1
191.05574	2.5
205.07452	0.8
231.05099	1.8
249.06136	12.0
262.57629	0.7
267.07297	1.4
277.09311	1.7
277.12720	1.0
319.10327	3.0
337.11414	74.8
337.14993	5.9
338.11819	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	337.2018
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
59.01388	1.3
60.99314	1.3
61.98835	0.4
70.70486	0.5
70.70827	0.3
73.64285	0.3
76.41393	0.3
78.95873	0.4
84.37696	0.3
95.50204	0.3
118.27405	0.3
119.03040	0.3
125.09695	0.3
152.99557	0.5
245.19112	0.7
247.20500	1.5
273.18979	0.3
275.20151	19.6
276.20541	1.7
278.09024	0.3
291.19647	3.6
292.20093	0.3
293.21234	14.5
294.21475	1.7
319.19092	4.6
319.22476	0.4
320.19449	0.4
337.20178	100.0
338.20511	11.2
338.24554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2382
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
57.03447	5.5
58.64457	0.3
59.01362	0.7
59.09696	0.2
69.03423	0.8
69.19494	2.3
71.05019	2.3
72.99289	0.6
113.09699	0.7
191.14406	1.3
193.15993	0.4
207.17519	6.1
223.20703	2.1
233.19078	0.6
249.22212	3.0
251.16545	0.3
255.23808	0.3
259.20575	0.3
265.25357	2.2
275.23746	0.8
277.16620	0.5
277.21640	2.6
278.16434	0.3
291.23184	0.5
293.24820	8.1
293.93723	0.2
294.25137	0.9
309.24417	0.4
337.23810	100.0
338.24158	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	337.2382
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
57.03164	0.3
57.03444	4.8
58.03749	0.2
59.01363	1.0
69.03452	1.1
70.35429	0.7
71.05009	2.3
96.95957	0.3
99.77021	0.2
102.10199	0.2
113.09695	0.9
161.04375	0.2
191.14394	1.2
193.16016	0.4
207.17499	6.2
208.17873	0.6
223.20616	1.5
233.19096	0.7
235.21083	0.2
249.22247	3.0
259.20639	0.7
265.25345	1.6
275.23846	0.6
277.21710	2.4
291.23129	0.4
293.24805	7.4
294.25140	1.1
309.24512	0.4
337.23810	100.0
338.24179	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	337.2383
Annotation	11-deoxy PGF2alpha
Peak:m/z	Relative Intensity
50.57019	0.5
56.58080	0.4
57.03445	5.7
58.81546	0.5
59.01373	1.4
69.03448	1.0
70.35182	0.6
70.35535	1.7
71.05013	1.9
72.99299	1.4
75.00895	0.4
93.50002	0.5
104.29589	0.5
112.62281	0.4
113.09708	0.6
179.21809	0.5
191.14348	1.1
193.32060	0.6
207.17502	6.9
208.17929	0.6
223.20706	2.0
249.22165	3.6
259.20670	0.7
265.25320	2.1
275.23822	1.0
277.21616	2.5
291.23105	0.6
293.24838	8.4
337.23816	100.0
338.24185	11.3
348.34222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
61.98830	81.9
63.22591	1.5
70.46500	4.2
70.46901	3.0
107.22822	2.3
109.06586	3.1
121.06588	2.3
125.09702	3.9
150.96982	1.9
155.20015	1.6
158.03725	2.6
159.04538	4.0
161.02353	1.9
167.07094	5.4
171.10234	3.7
172.05263	9.0
173.06107	4.7
187.04021	3.7
187.07642	100.0
188.07965	5.0
201.05653	7.9
201.11281	9.6
202.06352	19.1
204.04187	2.2
229.10802	4.4
231.10262	41.8
232.10605	3.1
275.09277	27.9
321.16855	3.1
338.20380	3.4
339.17896	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	339.0719
Annotation	AESCULIN
Peak:m/z	Relative Intensity
55.01652	0.2
55.89113	0.2
59.01377	2.5
60.15614	0.2
61.98820	0.5
69.82249	1.0
81.03442	0.6
89.03947	1.8
93.03440	0.3
98.19952	0.3
104.02664	0.3
105.03466	3.1
107.01418	0.3
107.94981	0.2
120.39246	0.2
133.02956	7.7
134.03288	0.3
135.04552	0.2
148.01698	0.5
149.02440	0.9
149.06110	0.3
161.04466	0.2
176.01143	1.4
177.01923	100.0
178.02263	4.6
189.05547	0.3
191.07204	0.2
194.14697	0.2
235.06149	0.3
239.57436	0.2
274.97775	0.2
279.14420	0.2
281.31644	0.2
281.62775	0.2
339.07181	12.7
340.07504	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98810	1.7
69.76148	5.4
72.99288	2.2
82.43666	1.0
84.19583	1.0
97.06590	4.2
98.19997	2.1
101.99533	1.0
102.16429	1.0
125.05243	1.3
125.06081	17.6
127.11305	1.6
143.07129	69.9
144.07422	2.7
151.11264	14.3
155.10760	4.0
158.40582	1.0
169.12335	100.0
170.12668	5.8
171.10220	6.0
183.01212	7.9
195.10211	1.2
213.11310	95.0
214.11623	7.3
217.10791	17.0
218.11046	2.1
237.14888	3.8
245.19073	3.0
266.14539	1.2
282.95642	1.1
289.18024	1.7
313.20404	1.1
321.20682	4.5
339.17828	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	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	6.6
57.41539	1.7
59.01377	9.3
61.98811	3.1
66.46951	2.2
69.03453	2.5
71.01371	3.2
71.05019	37.2
73.02923	3.2
81.03447	14.5
83.05042	3.6
85.02948	2.4
93.03476	5.1
95.05016	18.9
97.02969	2.1
97.06595	12.6
98.42052	1.9
109.06585	6.8
110.03699	3.1
111.04513	6.3
121.02949	3.3
121.06582	2.5
122.03735	4.7
123.04517	6.2
123.08154	22.7
125.06078	3.3
125.09718	70.6
126.09962	2.1
133.06596	9.9
137.06094	6.0
151.07655	32.5
159.35194	2.0
167.07135	2.9
169.08717	5.0
171.10217	6.8
173.04626	2.3
174.06836	3.4
177.05589	2.8
185.11839	5.6
187.09688	5.4
188.08440	2.4
199.09663	2.5
199.13399	2.9
201.11324	4.5
205.12296	3.6
209.11833	2.9
211.13374	2.4
213.11200	3.8
226.29794	2.0
249.11261	23.6
250.12022	3.0
259.16904	2.3
263.12732	2.6
265.14383	18.5
267.13870	3.9
277.18015	7.0
278.18542	2.3
285.14948	48.6
286.15274	4.5
303.15994	100.0
304.16357	11.7
309.13992	2.0
321.17047	48.6
322.17432	4.4
334.85925	2.4
339.18036	13.0
339.21716	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	10.8
58.00571	1.8
58.54648	1.7
59.01373	9.9
62.04244	2.3
65.16994	1.9
69.03445	3.7
70.71260	6.1
71.01371	3.3
71.05019	38.0
81.03458	26.1
83.01397	3.6
83.05016	6.9
85.02939	2.2
88.04035	7.2
91.05491	1.9
93.03436	5.4
95.05027	19.1
97.02976	2.6
97.06577	8.9
106.04195	2.1
107.05023	3.6
108.02185	4.7
109.02947	6.8
109.06590	8.2
110.03746	9.2
111.04512	23.3
115.00361	2.3
121.02949	5.3
121.06592	8.9
122.03717	3.7
123.04505	6.1
123.08174	23.3
125.06060	4.7
125.08824	4.1
125.09724	76.3
126.10078	4.6
127.11253	3.4
131.52045	2.0
132.03084	1.9
133.06567	7.4
135.04550	4.1
137.06062	12.4
139.07707	9.7
141.09227	2.2
142.02690	3.4
145.02953	3.2
149.06041	9.7
151.07646	37.4
151.11240	2.1
155.10828	3.4
159.04457	3.1
167.07126	49.6
167.10770	3.4
168.07468	2.5
169.08589	2.4
171.10268	33.2
177.05542	2.6
179.10678	1.9
181.12383	2.1
185.11832	4.3
187.09717	6.9
197.11774	2.7
199.09732	5.6
199.13235	3.9
201.11307	30.3
202.11583	2.1
204.13895	4.3
205.12354	4.7
207.10211	2.6
209.11804	3.3
213.11279	16.3
215.12854	100.0
216.13109	3.9
222.15039	11.7
223.13298	2.2
229.10704	7.0
237.11298	3.1
237.14909	2.3
247.13315	2.3
249.11320	18.2
249.14973	2.4
250.11903	3.3
251.07048	3.2
254.13950	2.8
259.17108	2.7
265.14459	15.3
266.14108	3.5
277.17987	7.1
279.16049	2.9
285.14954	48.9
286.15125	5.2
293.04608	2.2
295.19028	6.0
303.15985	89.2
304.16400	11.2
315.91476	1.9
321.13330	4.3
321.17023	48.1
322.17322	3.3
339.04938	3.3
339.18021	13.2
340.17615	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	339.1998
Annotation	NORETHINDRONE ACETATE
Peak:m/z	Relative Intensity
52.76368	0.3
53.49773	0.3
58.23089	0.2
70.66294	0.3
71.26759	0.4
79.95711	1.2
81.52166	0.3
91.59958	0.3
98.95570	0.6
106.22738	0.2
119.05032	1.3
170.00465	1.6
183.01207	48.1
184.01837	3.3
197.02782	3.2
198.03380	0.3
211.04318	0.5
216.00938	0.8
225.05997	0.7
230.02585	0.3
239.07533	1.3
274.53842	0.3
275.23898	0.3
339.19971	100.0
340.20297	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03437	5.1
59.01368	10.2
65.68336	2.5
66.45321	2.6
68.45433	2.5
71.52498	3.0
78.95883	3.5
81.03460	2.7
97.02917	2.4
109.06542	4.4
110.03730	2.5
121.84503	2.4
123.04530	7.7
123.08153	13.6
125.09670	3.2
139.11240	6.6
142.02748	4.2
149.06244	3.2
151.11252	4.5
152.99564	9.4
163.11250	5.3
171.10193	4.0
183.01126	6.1
185.11867	3.2
199.13408	26.3
200.13713	2.9
200.49625	2.3
213.11259	3.5
225.11346	2.7
238.10510	2.5
245.19069	19.2
271.16888	3.6
289.18076	100.0
290.18411	10.8
307.19138	46.0
308.19614	3.4
321.20718	7.6
324.19373	6.1
339.16110	5.9
339.17197	4.0
339.21783	75.4
340.22028	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	339.2326
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.88198	0.4
64.84246	0.4
68.60365	0.3
71.00635	0.9
117.08886	0.4
163.11275	100.0
164.11595	4.8
305.63956	0.3
307.84982	0.3
339.23242	56.8
340.23575	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
58.00594	0.9
59.01379	15.7
65.03934	0.6
69.03444	0.8
69.28768	1.3
69.29190	1.9
69.48376	0.3
71.01380	11.7
71.05017	1.9
72.99308	0.9
73.02977	0.5
76.00143	0.4
81.03466	1.5
83.01388	0.5
83.05029	1.2
85.02950	1.8
87.00871	0.8
87.04521	0.4
89.02441	12.7
93.03468	1.8
95.01390	1.1
95.05019	1.5
97.02901	0.8
97.06588	0.8
98.20609	0.7
99.04521	1.5
101.02438	5.4
102.05606	0.4
105.03436	0.9
107.05005	0.8
108.02232	0.4
109.02969	2.8
109.06598	1.9
111.00898	0.4
111.04513	0.8
113.02446	4.1
113.06106	0.4
119.03497	4.1
119.04998	0.9
121.02975	1.2
121.06555	0.5
122.03731	1.8
123.04523	13.7
123.08160	3.0
124.04858	0.5
125.09727	1.7
127.11324	0.4
131.03479	1.0
132.02199	0.8
133.02954	19.8
135.04517	5.8
135.08138	0.7
137.02449	6.4
139.04027	0.5
139.07661	0.4
143.03523	1.4
147.04456	0.4
149.02446	1.8
149.04539	0.7
150.03224	10.7
151.04010	24.3
151.07623	0.8
152.04359	1.0
159.04486	1.9
161.02437	52.1
161.04617	1.9
162.02789	2.4
163.03996	0.6
171.10271	4.7
177.01968	1.5
179.03493	100.0
179.05498	4.5
180.03854	4.5
180.05504	0.5
180.05833	0.4
183.65750	0.4
185.11783	1.2
189.12814	0.4
193.12343	0.9
199.09702	1.9
201.11351	3.7
203.03532	0.6
203.14459	0.4
205.01395	5.6
207.10202	1.1
209.11752	2.0
211.13503	0.4
213.11436	0.8
215.12849	1.0
217.52257	0.4
219.02957	4.7
223.13359	0.7
223.15344	0.7
225.11351	0.7
227.12898	0.4
235.13383	1.1
247.13300	0.5
251.07101	0.5
251.12866	0.9
252.07320	0.4
253.14424	2.2
254.14030	0.4
255.14229	0.5
261.14966	0.6
265.14386	0.4
269.08185	1.0
279.06552	2.4
279.16064	0.5
287.16541	2.1
297.07599	3.0
305.14413	0.5
305.17590	4.1
323.18472	2.9
341.06583	3.5
341.10837	8.3
341.19742	10.9
341.23691	0.6
342.07062	0.4
342.11191	0.9
342.20270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0665
Annotation	(+)-Megacerotonic acid
Peak:m/z	Relative Intensity
50.62741	0.9
58.00597	1.0
59.01379	51.6
71.01382	34.0
71.50354	1.6
72.99307	1.0
73.02938	1.1
76.01070	0.9
78.95889	1.4
83.01397	1.2
85.02940	5.4
87.00867	1.4
89.02445	39.7
90.54561	0.8
93.03458	18.2
95.01408	1.8
98.20499	1.0
99.77307	0.8
101.02435	16.4
103.72542	0.9
107.04985	2.1
108.02161	4.7
109.02952	51.4
110.03253	1.3
113.02441	13.7
117.03461	2.8
119.03510	15.1
119.05001	8.6
120.05270	0.8
121.02946	1.4
130.04205	3.0
131.03479	2.3
131.05029	7.4
133.02963	6.4
135.04514	3.3
137.58214	1.0
143.03508	2.8
143.05023	9.1
145.02974	4.4
146.03749	1.9
147.04491	2.8
149.04543	1.2
158.03726	1.6
159.04526	14.5
161.04567	4.7
163.04121	1.1
169.06589	1.0
179.03532	1.1
179.03801	1.2
179.05605	16.6
187.04002	3.5
207.08089	1.7
209.06047	2.5
210.06738	1.5
211.07651	8.0
220.05363	1.1
221.05995	1.9
223.07632	1.8
225.05539	2.7
225.09100	1.1
234.06831	1.0
235.07657	5.6
236.08411	1.0
236.79872	0.9
237.05551	4.5
238.06329	11.7
239.07063	2.4
250.06320	2.3
251.04439	1.2
251.07112	23.4
252.07579	4.3
253.08682	100.0
254.09030	11.0
297.07660	48.4
297.11078	2.2
298.08020	4.2
310.35947	1.1
341.06625	5.0
341.10828	23.9
342.11151	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	341.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73140	1.2
58.00594	2.7
59.01376	100.0
69.89603	1.3
71.01378	63.7
72.99303	3.7
73.02939	30.3
81.03487	1.5
83.01391	7.6
83.05054	1.8
85.02946	8.2
87.00860	3.9
89.02442	63.0
93.03456	61.0
94.03761	1.4
94.78149	1.5
95.01368	3.8
100.98773	3.4
101.02439	40.5
102.02776	2.1
108.02184	1.7
109.02236	1.9
109.02950	27.6
113.02449	26.3
117.03462	8.8
119.03497	23.0
119.05013	15.7
121.02943	6.4
123.04519	8.8
130.04219	5.1
131.03506	3.7
131.05054	12.4
133.02951	6.9
135.04504	4.6
137.89130	1.4
138.47714	1.3
143.03529	8.4
143.04578	1.6
145.01761	1.5
145.02937	30.8
146.03761	9.9
147.04507	14.2
149.02449	1.4
149.04527	2.9
151.04001	7.7
158.03700	14.1
159.04504	54.1
160.04810	2.1
161.02423	4.0
161.04561	11.8
163.04001	5.2
173.02429	12.6
175.03918	1.7
177.01923	3.4
179.05615	24.1
180.05711	1.6
187.03995	57.4
188.04301	3.2
193.06557	1.8
203.03516	8.9
211.07588	4.2
221.06007	1.4
231.02940	2.8
238.06335	5.6
239.07097	31.0
241.08630	1.6
251.07117	10.6
252.07666	2.6
253.08665	47.8
254.08954	4.6
267.06528	9.3
269.08185	7.0
279.06522	1.7
289.36069	1.6
295.05975	1.6
297.07663	19.4
298.08124	1.8
341.06589	26.9
341.10861	36.3
341.19867	1.6
342.06918	2.9
342.10864	2.9
342.16568	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	341.1086
Annotation	Trehalose
Peak:m/z	Relative Intensity
54.36326	0.7
55.01875	0.9
57.03429	1.9
58.00589	4.4
59.01376	100.0
70.64619	2.2
71.01379	66.8
72.01713	0.9
72.99303	3.6
73.02955	1.9
79.72737	0.7
82.96288	0.9
83.01392	2.3
85.02941	11.3
87.00847	4.3
89.02441	81.6
90.02782	2.6
95.01376	5.0
101.02440	29.7
102.02785	0.9
113.02448	26.8
119.03493	27.0
120.03852	0.9
125.02464	1.3
131.03497	4.0
143.03510	6.6
149.04489	1.0
161.04541	7.3
173.95227	0.7
177.60042	0.7
179.05602	28.2
180.05939	1.3
189.18785	0.7
191.05568	3.3
198.61107	0.7
204.07898	0.7
341.10858	41.7
342.11218	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	341.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03445	1.5
58.00591	4.3
59.01378	100.0
60.01712	0.8
61.83015	0.6
67.13912	0.6
70.98491	1.2
71.01379	66.7
72.01719	1.3
72.99311	3.3
73.02943	1.8
83.01396	1.5
85.02946	10.0
87.00876	3.7
89.02442	87.4
90.02769	1.0
95.01377	4.3
99.00863	1.0
101.02441	35.1
113.02447	29.6
113.03265	0.8
119.03499	31.1
120.03794	0.9
125.02435	1.5
131.03494	5.0
143.03477	8.3
149.04558	3.6
161.04544	9.9
169.46098	0.6
179.05603	39.1
179.13821	0.7
180.05954	1.6
191.05493	0.8
226.24385	0.7
248.55615	0.7
322.54965	0.7
341.10892	53.9
342.11215	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	341.1085
Annotation	Sucrose
Peak:m/z	Relative Intensity
55.01875	1.2
57.03451	1.5
58.00584	3.2
59.01376	100.0
60.01706	1.2
70.84418	1.3
71.01377	67.6
72.01725	0.9
72.99290	3.7
73.02932	1.8
83.01375	2.6
85.02950	9.1
87.00867	4.3
89.02438	83.7
90.02776	2.3
95.01385	3.2
97.33407	0.6
101.02435	31.1
105.13512	0.6
113.02444	26.4
119.03493	26.7
125.02396	0.8
131.03499	4.6
131.64336	0.6
143.03484	6.7
149.04536	2.9
161.04533	9.3
179.05597	37.9
180.06020	1.0
187.79065	0.8
324.69827	0.7
341.10858	46.8
342.11203	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.6
57.03450	2.0
58.00589	3.2
59.01377	100.0
60.01720	1.0
69.44901	4.1
69.45321	1.9
71.01379	69.9
72.01701	1.3
72.99302	2.9
73.02959	1.1
83.01374	1.3
83.14124	0.7
85.02944	9.3
87.00864	4.3
89.02439	91.1
90.02767	1.3
95.01379	4.1
98.29470	0.8
101.02439	35.0
101.65356	0.8
102.02810	0.9
113.02446	29.5
113.33212	0.7
114.02732	0.9
119.03494	34.1
125.02483	1.2
131.03490	5.3
135.26263	0.7
143.03500	8.2
149.04517	2.9
161.04532	11.1
179.05606	39.5
180.05916	1.7
222.21465	0.9
325.12628	0.8
341.10870	54.2
342.11130	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59898	0.9
55.01862	1.4
56.89214	0.6
57.03429	0.7
58.00588	3.5
59.01376	100.0
60.01720	1.4
64.46177	0.7
69.03445	1.9
69.15360	3.0
69.15779	4.5
71.01378	53.2
72.01721	1.1
72.99290	1.7
73.02942	46.9
74.03262	0.8
81.03468	0.7
83.01385	13.3
85.02946	5.9
87.00877	2.2
89.02440	40.4
93.03454	12.4
95.01394	2.6
98.21253	0.7
99.00843	1.2
101.02438	44.7
102.02792	0.8
109.02940	7.3
113.02447	18.1
113.18039	0.7
117.03493	3.3
117.37171	0.7
119.03514	15.1
119.05021	14.9
119.05833	1.3
121.02935	1.2
123.04537	1.0
125.02470	2.4
130.04283	1.5
131.03520	4.4
131.05066	2.1
135.04550	2.6
137.06116	2.6
138.05580	0.8
143.03490	5.0
145.02951	6.5
146.03716	1.6
147.04550	2.9
149.02478	0.9
149.04579	2.5
151.04012	2.1
155.03520	1.4
158.03761	2.7
159.04503	14.1
160.04845	0.7
161.02473	1.1
161.04562	10.1
163.04041	2.0
166.93781	0.9
173.02432	1.7
174.03271	0.7
179.05606	16.4
187.03990	15.7
188.04305	0.7
189.05525	0.7
203.03613	2.3
203.05571	0.8
238.06419	0.9
239.07132	7.1
251.07265	3.1
253.08646	12.0
254.08983	1.0
267.06741	1.1
269.08264	2.0
279.06516	1.1
295.06213	0.9
297.07635	4.3
299.11484	1.3
309.03992	1.0
341.06744	7.6
341.11157	21.9
342.07010	1.1
342.11563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.8
58.00617	2.1
59.01379	49.6
63.63140	1.5
66.23886	1.4
67.01866	1.9
69.03453	6.7
69.57374	8.2
71.01382	35.9
71.05019	26.6
72.99315	2.7
80.02684	2.4
81.03461	25.6
83.01417	2.7
83.05023	20.7
84.02164	1.4
84.09384	1.6
85.02957	5.7
86.44702	1.5
87.00886	2.6
87.66426	1.4
89.02448	35.7
91.54149	1.5
93.03461	3.5
95.01356	2.1
95.05013	13.5
97.02967	8.2
97.06582	4.3
98.03762	2.5
98.20662	2.0
99.04523	33.8
99.08211	1.6
101.02443	18.6
106.04303	2.0
107.05029	2.5
108.02171	4.4
109.02933	4.4
109.06591	13.8
110.03760	1.9
111.04518	8.7
113.02456	11.8
119.03495	15.8
119.05032	3.9
121.06586	3.2
122.03726	2.5
123.04500	2.0
123.08173	4.3
125.09757	5.3
131.03502	1.5
133.06596	3.2
135.04549	2.1
135.08199	3.3
139.07616	1.8
143.03496	4.1
151.03960	1.8
151.07628	10.9
153.09262	3.7
155.10793	1.9
161.02422	2.2
161.04552	4.8
162.06778	1.6
165.09265	2.1
167.10652	1.7
169.12408	1.8
171.10283	34.4
172.10576	2.2
179.03427	3.5
179.05612	16.7
185.11816	7.2
189.12848	4.2
191.14394	7.3
193.12312	12.7
197.11868	1.9
199.13380	2.5
201.11279	4.4
207.10297	3.5
207.13892	3.6
208.84297	1.6
209.11768	3.1
209.15657	1.8
211.13435	5.1
213.11348	3.6
225.11324	5.8
233.11769	2.4
235.13403	38.9
236.13643	2.3
243.17619	3.8
247.13347	1.8
253.14441	100.0
254.14857	6.1
261.18719	1.9
279.15796	1.7
287.16565	25.1
288.16812	2.9
305.17557	23.8
306.17856	1.7
312.95224	1.6
323.18707	8.7
330.15857	1.5
341.06735	3.3
341.10855	24.2
341.14590	2.4
341.15399	2.8
341.19678	38.4
341.23596	2.0
342.20004	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	341.1968
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
57.03433	3.8
58.00603	3.0
59.01380	13.5
69.03457	3.3
69.53431	3.2
69.53849	6.0
71.01377	11.1
71.05029	7.1
73.02940	3.4
76.06534	1.2
79.53736	1.1
81.03457	5.6
83.05032	6.2
83.41732	1.3
85.02939	2.7
87.04540	1.9
89.02446	9.3
95.05031	5.0
97.06601	4.5
98.03737	5.1
101.02441	4.8
105.47601	1.5
108.02180	1.3
109.06589	33.6
111.04510	2.8
113.02434	3.2
113.06061	2.2
119.03500	4.1
121.06581	1.7
123.04519	1.6
123.08156	15.1
125.06082	3.5
125.09725	25.8
127.07661	17.8
127.11305	13.7
137.09705	3.6
139.11320	2.5
140.50021	1.2
141.09209	2.0
151.07642	4.8
151.11292	2.7
153.09207	2.6
155.10773	5.0
161.04390	1.2
163.22316	1.2
165.09181	3.9
167.10765	1.8
169.08723	1.6
171.10243	15.8
177.09200	1.4
179.05591	4.7
179.07066	1.3
183.10219	2.3
185.11818	5.7
195.10300	6.7
197.11906	3.0
199.09744	13.4
201.11325	100.0
202.11646	5.6
209.11847	22.7
213.11314	69.8
214.11649	3.4
227.12976	4.2
233.11815	3.4
239.12971	1.9
249.14931	2.8
251.12860	25.6
252.13127	2.0
265.14423	3.8
287.16492	22.0
288.16977	2.3
305.17572	17.8
306.17975	2.3
323.18619	32.5
324.19006	4.1
341.11154	6.6
341.19672	78.5
341.23111	3.1
342.20148	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
55.80437	1.0
57.03444	5.1
58.00585	3.1
59.01378	53.1
61.98817	2.0
69.03456	3.1
69.56097	4.9
69.56498	3.2
71.01380	40.3
71.05017	17.1
72.99295	3.4
73.02945	2.2
81.02996	2.4
81.03453	33.0
83.01351	1.3
83.05029	31.4
85.02927	6.5
87.00870	2.6
89.02443	49.1
92.84670	1.1
93.03463	22.6
95.01397	2.9
95.05013	5.3
95.17876	1.1
96.96008	1.1
97.02953	4.6
97.06582	2.4
99.04539	1.2
101.02438	21.0
107.05015	3.0
109.02973	2.8
109.06612	8.1
110.03687	1.9
111.04520	79.0
112.04897	2.4
113.02448	13.0
119.03504	14.4
122.03706	3.7
123.04504	9.2
123.08137	2.9
125.02404	1.7
125.09715	4.0
127.07643	3.5
127.11287	3.1
129.83702	1.1
131.03491	4.3
133.02957	1.8
135.04562	11.0
136.05254	1.6
137.35406	1.1
139.07632	7.4
143.03500	4.1
151.07652	44.5
152.08011	2.0
161.02441	4.3
161.04485	5.6
167.07146	1.8
169.07304	2.1
169.08705	31.4
170.09109	1.4
171.10275	100.0
172.10597	4.7
179.03526	8.5
179.05612	23.1
201.11342	15.3
209.11801	3.1
213.11314	11.8
214.11646	1.3
221.86052	1.2
232.72966	1.2
251.12939	5.7
253.05074	1.4
265.14371	2.6
287.16501	4.4
305.17557	6.0
323.18661	5.6
341.06738	3.1
341.10803	26.1
341.19690	16.5
342.11057	2.1
342.20090	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	341.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41396	5.3
58.08239	5.5
59.01381	71.8
71.01382	100.0
71.52367	10.3
81.03455	11.7
83.05021	7.5
85.02946	10.8
89.02438	41.8
97.02942	14.4
97.06592	17.8
101.02435	19.1
109.06593	86.8
113.02451	15.0
119.03492	13.5
135.08134	14.3
142.02736	6.6
155.10825	5.6
161.09749	8.9
163.11282	41.6
171.10310	11.2
179.05608	16.0
181.12299	15.5
185.11899	8.1
199.09714	12.9
207.10269	86.5
225.11325	19.1
294.22498	5.5
341.10910	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
55.80437	1.0
57.03444	5.1
58.00585	3.1
59.01378	53.1
61.98817	2.0
69.03456	3.1
69.56097	4.9
69.56498	3.2
71.01380	40.3
71.05017	17.1
72.99295	3.4
73.02945	2.2
81.02996	2.4
81.03453	33.0
83.01351	1.3
83.05029	31.4
85.02927	6.5
87.00870	2.6
89.02443	49.1
92.84670	1.1
93.03463	22.6
95.01397	2.9
95.05013	5.3
95.17876	1.1
96.96008	1.1
97.02953	4.6
97.06582	2.4
99.04539	1.2
101.02438	21.0
107.05015	3.0
109.02973	2.8
109.06612	8.1
110.03687	1.9
111.04520	79.0
112.04897	2.4
113.02448	13.0
119.03504	14.4
122.03706	3.7
123.04504	9.2
123.08137	2.9
125.02404	1.7
125.09715	4.0
127.07643	3.5
127.11287	3.1
129.83702	1.1
131.03491	4.3
133.02957	1.8
135.04562	11.0
136.05254	1.6
137.35406	1.1
139.07632	7.4
143.03500	4.1
151.07652	44.5
152.08011	2.0
161.02441	4.3
161.04485	5.6
167.07146	1.8
169.07304	2.1
169.08705	31.4
170.09109	1.4
171.10275	100.0
172.10597	4.7
179.03526	8.5
179.05612	23.1
201.11342	15.3
209.11801	3.1
213.11314	11.8
214.11646	1.3
221.86052	1.2
232.72966	1.2
251.12939	5.7
253.05074	1.4
265.14371	2.6
287.16501	4.4
305.17557	6.0
323.18661	5.6
341.06738	3.1
341.10803	26.1
341.19690	16.5
342.11057	2.1
342.20090	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12288	0.3
57.34407	0.3
59.01383	4.2
69.03458	2.1
69.34497	2.5
71.01381	1.8
81.03438	0.7
83.05016	1.6
84.02161	4.9
85.02956	0.3
87.00914	0.4
89.02454	2.3
95.05005	0.4
97.02944	2.1
97.06585	12.1
99.04516	1.3
101.02441	0.9
113.02435	0.7
119.03465	0.8
119.08692	0.5
121.10288	0.4
123.08141	0.4
125.09702	2.1
137.09698	1.6
151.11243	0.8
163.11395	0.4
165.12802	1.4
167.14468	0.5
171.10258	11.9
172.10527	0.5
175.11258	0.7
177.12802	0.5
179.05588	0.7
183.13918	1.4
184.86363	0.4
185.11832	0.4
193.12311	14.8
194.12634	1.2
197.15326	0.5
209.11905	0.4
211.13408	3.9
221.11885	1.1
225.14949	19.6
226.15210	1.7
243.15996	8.7
253.14404	1.1
291.19543	1.4
323.22345	0.7
341.23288	100.0
342.23669	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	78.3
60.01719	0.8
61.98807	0.4
67.93582	0.2
70.64066	0.4
70.64431	0.4
113.04618	0.4
115.02511	0.4
133.36836	0.2
145.23903	0.2
148.73552	0.2
157.03564	7.7
158.03688	0.6
159.01494	1.8
174.47797	0.2
187.50874	0.2
201.02544	100.0
202.02716	8.9
312.09399	0.2
343.03726	3.6
344.03821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38158	0.2
59.01373	2.5
61.98817	0.3
62.42093	0.2
62.50170	0.2
63.74381	0.2
67.01887	0.3
70.51665	0.7
71.01371	0.9
72.99291	0.2
76.10263	0.3
89.02431	0.9
91.02875	0.2
93.03455	6.0
95.01388	0.5
98.20653	0.3
101.02450	0.4
104.77353	0.2
109.02911	0.4
113.02433	0.3
121.02952	8.2
122.03784	0.4
123.00883	6.2
123.04559	0.3
124.01661	3.6
135.04526	0.4
136.46559	0.2
137.02516	0.4
137.06079	0.7
138.03209	3.1
139.04007	100.0
140.04356	3.5
165.01947	0.9
179.03505	0.3
181.01807	0.3
181.05038	1.7
284.93985	0.2
343.10379	2.5
365.76486	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01375	12.4
61.01808	0.3
62.54110	0.4
69.56787	1.6
69.85995	0.3
71.01387	1.1
75.74133	0.3
88.04070	0.7
89.02464	0.6
93.03467	0.7
95.05038	0.7
101.02484	0.5
107.04981	0.5
109.02950	5.2
109.06588	3.3
119.05033	4.3
121.02944	6.5
121.03775	0.5
122.03720	1.2
128.86598	0.4
129.82855	0.3
135.04524	4.7
136.04738	0.4
137.06079	29.4
138.06427	1.4
148.97406	0.3
173.04594	0.4
181.05055	100.0
182.05367	6.5
197.04549	0.4
233.64207	0.3
278.32501	0.3
300.15704	0.6
322.19476	0.3
327.59549	0.3
338.96066	0.3
343.10294	14.5
344.10571	1.2
366.56415	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09876	13.0
59.01373	21.4
63.92142	16.0
65.10982	13.0
69.41409	18.0
69.76659	79.7
70.17243	15.2
71.38654	12.8
74.55465	13.5
140.10281	13.4
163.11278	16.0
237.90909	14.7
245.19002	31.0
289.18054	100.0
307.19125	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	343.2124
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.03439	3.5
58.60119	0.6
59.01385	3.8
61.98828	1.4
69.03451	1.4
69.43633	2.7
69.44040	1.6
71.01373	1.2
71.05009	2.2
73.02932	0.7
75.00875	2.6
81.03474	0.8
83.05016	2.3
84.02180	3.6
85.02932	3.1
85.06604	1.1
87.04523	2.3
95.05016	5.0
97.06596	3.1
106.04177	0.7
109.02949	0.8
109.06583	1.9
111.04519	1.0
113.06065	1.2
115.00394	0.9
119.05043	1.1
123.08151	1.2
125.09728	1.8
127.11269	1.5
133.02974	0.9
135.04521	1.8
135.08174	1.4
137.09717	0.8
147.98962	0.7
153.09232	1.1
155.10811	0.9
161.02425	3.0
161.74178	0.7
171.10269	17.7
172.10614	1.2
177.12862	0.8
179.03447	1.0
181.04999	1.3
181.12296	1.7
183.13850	2.8
185.11835	2.1
193.12352	1.0
193.16096	0.8
195.13902	0.9
197.11781	0.7
197.71255	0.6
199.13432	1.6
201.11325	1.5
209.11823	5.8
211.13382	11.8
212.13763	1.0
221.11838	1.5
223.13383	1.0
227.12819	1.0
229.14432	16.4
230.14598	0.9
235.13484	0.8
237.14977	9.0
238.15155	0.8
239.12744	0.9
249.14958	2.4
255.15886	0.9
267.16016	1.1
289.18033	2.5
307.19040	1.1
325.20297	7.0
343.21237	100.0
344.21570	11.4
353.93848	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2121
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
57.17807	0.5
59.01382	5.1
60.34122	0.5
69.67237	0.5
70.49075	1.7
71.01370	1.0
71.75900	0.6
74.02481	0.6
76.65644	0.5
83.05020	0.6
84.02155	1.0
97.06686	0.4
98.19949	0.5
111.04479	0.5
111.08160	5.6
121.02988	0.6
123.08164	1.2
125.09676	1.6
127.11283	1.6
133.02957	0.9
135.04485	1.1
153.09131	0.5
155.10815	0.6
161.02438	1.9
171.10263	61.4
172.10587	2.2
180.38902	0.5
181.05017	0.7
185.11813	7.5
197.11783	1.9
201.11296	10.5
213.11404	2.9
215.12871	2.6
221.11877	0.6
239.12801	0.8
249.90553	0.6
289.18076	0.9
299.16095	1.4
301.20068	0.9
307.19257	1.1
325.20245	2.1
343.21234	100.0
344.17667	0.9
344.21609	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	343.2487
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01395	1.1
59.18910	0.5
66.02834	0.5
69.03452	1.0
70.27132	1.3
70.27493	1.0
83.05026	1.1
83.66121	0.5
95.05035	0.6
99.08156	7.1
121.10262	2.8
125.09700	2.5
127.11307	1.3
137.09726	1.1
139.11263	1.1
144.13506	0.5
149.13388	0.6
166.36787	0.6
171.10260	28.0
175.11205	0.7
193.10701	1.0
193.12341	11.0
194.12624	0.9
201.11310	1.8
203.30641	0.6
210.47014	0.5
211.13379	4.1
213.11444	0.9
215.12891	0.9
225.14934	13.0
226.15324	1.0
235.42015	0.6
239.13484	0.6
243.15977	4.6
293.21133	1.9
299.20218	0.7
306.48273	0.5
308.48047	0.6
325.23965	0.8
343.24863	100.0
344.25174	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	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
59.01376	2.9
61.98815	0.7
69.03462	1.1
69.63720	2.7
70.90408	0.5
83.04996	1.0
97.06572	0.8
99.07549	0.9
99.08146	7.1
112.55721	0.6
120.14258	0.6
121.10228	2.2
125.09740	3.6
135.65594	0.5
137.09720	1.7
139.11272	1.1
140.07294	0.5
149.13306	0.8
165.12767	0.7
167.10757	0.9
171.10266	20.2
171.11707	1.3
172.10555	0.7
175.11104	0.7
193.12332	11.7
194.12694	1.2
201.11299	2.4
211.13377	2.8
213.11269	1.6
215.12924	1.4
225.14944	16.5
226.15312	1.5
243.15990	6.7
284.58792	0.7
293.21164	2.2
299.20267	1.2
307.19128	0.7
325.23651	1.2
343.24866	100.0
344.25201	10.2
361.12015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75833	1.1
58.00578	2.4
59.01378	66.4
60.01698	2.1
61.98829	15.0
70.78738	3.0
71.01376	34.4
72.99303	3.2
73.02915	2.0
75.00848	1.2
83.01373	2.0
85.02952	7.7
87.00877	2.0
89.02441	32.4
92.05055	6.5
95.01366	3.1
99.00851	1.7
100.01215	1.6
101.02435	24.0
108.04500	4.0
113.02458	11.1
116.84641	1.1
119.03499	11.6
119.05013	1.4
120.03696	1.5
120.04556	27.4
120.05382	2.9
121.02985	1.4
122.06114	6.8
123.04523	1.3
131.03432	1.5
136.04019	8.0
138.04564	2.2
138.05605	39.8
139.05959	1.6
164.03525	86.5
165.03777	5.0
180.06712	2.6
182.02118	1.7
183.02934	2.1
201.02562	1.5
208.29832	1.2
300.10846	18.0
301.11307	1.9
341.62213	1.3
344.09802	100.0
345.10287	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	344.135
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00578	1.6
59.01382	20.3
61.98829	2.7
70.28291	1.0
71.01382	19.2
71.05305	1.6
71.05647	1.6
72.00900	12.2
72.99307	2.6
75.00892	1.3
78.95905	1.3
85.02954	2.2
89.02443	23.9
89.53743	1.1
91.05552	1.6
93.03445	1.4
94.03822	1.5
95.01392	2.3
101.02425	5.9
103.05549	1.9
113.02451	5.4
119.03515	5.1
119.05025	3.3
119.87190	1.0
120.05341	2.0
123.00892	2.6
124.01669	1.7
135.04532	1.9
136.04915	1.1
139.03996	1.7
143.03467	1.6
147.04518	35.8
148.04904	1.2
161.04507	1.8
163.03996	1.6
164.04364	3.6
164.07164	100.0
165.01913	1.5
165.05479	1.3
165.07491	4.9
166.99838	3.1
168.00650	1.1
179.05643	5.7
181.05052	5.8
182.05431	8.7
183.02979	2.5
184.49626	1.3
254.07529	4.3
344.10611	8.1
345.08203	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1188
Annotation	Koaburside
Peak:m/z	Relative Intensity
50.87577	0.5
53.53231	0.6
59.01381	3.6
60.96146	0.5
61.98810	0.8
70.63019	0.6
72.99316	0.7
80.06418	0.6
81.03478	0.8
93.03397	0.7
99.04504	1.7
121.02931	1.6
123.04528	8.0
137.02415	1.6
138.03226	32.9
139.04015	1.7
140.04327	1.1
141.05566	1.8
144.04584	0.9
153.05566	12.4
153.06749	0.9
161.08224	0.6
165.09146	0.6
168.04274	51.7
169.04579	2.8
170.02242	1.2
182.02161	1.2
183.06613	100.0
184.06972	6.2
345.11859	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	345.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.0
59.01380	7.9
61.98824	4.6
70.46986	3.9
70.47356	3.2
71.01365	4.1
72.99313	2.3
73.02979	1.8
74.02450	1.7
75.00867	9.7
81.03444	16.3
83.05025	7.5
87.00871	100.0
88.01214	2.1
95.05003	1.7
96.96007	48.5
97.02938	4.1
97.06575	4.0
101.02395	2.1
109.02932	3.0
109.06567	3.6
120.99664	3.2
123.08163	2.0
125.09714	30.1
135.04538	5.8
135.61360	1.6
163.11255	6.9
165.12903	1.9
171.10289	3.1
173.04585	2.0
177.47031	1.5
179.03513	2.1
179.14397	6.0
181.12444	2.4
183.02805	2.1
183.10995	1.5
185.11784	6.1
187.09760	2.0
197.11719	2.9
207.10248	6.6
207.13943	4.1
209.11800	70.4
210.12175	5.0
223.13362	62.9
224.13708	6.5
225.11296	4.1
227.12872	21.2
233.11742	1.7
241.14458	26.6
242.14722	3.3
251.12854	52.3
252.13240	4.1
295.11859	10.1
302.12335	2.0
309.13309	5.1
313.12930	22.4
314.13232	2.0
345.10022	14.8
345.15411	28.5
345.22717	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	345.1554
Annotation	Kankanoside A
Peak:m/z	Relative Intensity
56.18423	0.9
57.03458	1.2
58.00576	3.2
59.01381	54.3
61.98823	1.8
67.46787	0.9
69.03437	1.6
69.53587	6.3
71.01382	28.1
72.99290	5.2
73.02930	2.3
77.27746	0.9
83.01393	2.1
85.02933	5.5
87.00851	2.0
89.02448	29.7
92.84920	0.9
95.01372	1.9
96.95972	1.3
98.19956	1.8
99.00861	1.0
101.02443	22.4
103.01558	1.1
113.02458	10.7
113.03199	1.7
119.03495	12.3
119.08656	1.4
121.10233	38.1
122.10552	2.4
126.88928	0.9
131.03500	0.9
135.04491	2.0
137.09711	8.7
143.03540	0.9
148.20531	0.9
149.04494	1.1
165.09203	64.0
166.09541	3.9
179.05623	1.4
183.10248	37.6
184.10628	1.8
209.11758	1.8
227.13052	1.3
286.98553	0.9
297.70975	1.0
345.15524	100.0
345.22498	8.0
346.15906	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38847	12.6
59.01358	14.4
69.33286	100.0
117.18998	13.9
117.26302	14.2
130.15956	13.6
174.78845	11.6
182.02161	21.8
255.20905	15.8
259.58853	14.9
291.19760	42.9
309.20801	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12203	26.7
59.01376	33.6
62.62743	29.5
66.09716	25.6
68.12537	29.1
71.53056	40.3
102.68748	28.6
125.44814	26.3
158.99016	28.1
182.02249	37.0
183.03012	32.9
209.11852	57.4
211.37616	26.3
291.19604	44.5
309.20642	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.207
Annotation	13,14-dehydro-15-cyclohexyl Carbaprostacyclin
Peak:m/z	Relative Intensity
55.42868	0.6
68.19159	0.7
71.53177	0.9
87.06263	0.6
162.65958	0.7
182.02148	1.0
287.20142	25.3
288.20538	2.9
345.20663	100.0
346.21045	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42868	0.6
68.19159	0.7
71.53177	0.9
87.06263	0.6
162.65958	0.7
182.02148	1.0
287.20142	25.3
288.20538	2.9
345.20663	100.0
346.21045	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2281
Annotation	oscr#20
Peak:m/z	Relative Intensity
54.04146	0.3
57.03447	1.6
57.32963	0.4
59.01391	1.6
62.07785	0.3
63.04031	0.3
66.00644	0.3
71.01418	0.4
81.46667	0.3
83.05017	0.5
97.06583	1.2
98.20658	1.0
123.08143	0.9
125.09725	1.4
127.11283	1.3
137.09746	0.8
139.11288	1.1
141.12820	0.6
143.10751	0.5
150.91272	0.3
153.12852	0.5
155.10776	1.1
163.11272	0.5
171.10265	2.7
172.10643	0.4
177.16463	0.5
182.02167	0.5
183.02930	0.4
193.66273	0.3
201.11322	1.0
235.20712	0.5
247.20667	12.2
248.21053	1.0
263.20230	0.5
265.21701	5.6
266.22003	0.5
273.18439	1.7
281.21164	0.9
283.16837	0.3
283.22763	0.6
291.19727	5.4
292.20084	0.8
307.19171	0.8
309.20682	12.4
310.20990	1.1
327.21762	18.2
328.22049	1.7
337.06909	0.3
345.22806	100.0
346.18973	0.7
346.23129	11.2
346.27277	0.8
357.09763	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01887	0.3
59.01378	7.3
60.01716	0.8
61.79513	0.3
61.98829	100.0
69.92776	1.3
74.34631	0.3
92.38190	0.3
99.65609	0.3
201.02539	0.9
201.79474	0.3
202.02740	2.9
203.02271	3.6
203.99991	41.8
205.00175	3.6
275.73596	0.3
346.01105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0557
Annotation	Adenosine 2'-phosphate
Peak:m/z	Relative Intensity
52.17870	0.4
58.82610	0.5
59.01371	1.6
61.98829	7.2
67.50318	0.4
69.42619	3.1
74.02464	0.6
78.95902	53.7
78.98419	0.4
83.01467	0.4
85.02934	0.6
93.03485	0.6
96.96955	11.4
98.20802	0.5
104.03572	1.2
107.03618	1.9
111.82143	0.4
120.96954	5.1
128.03571	0.9
130.08730	0.5
134.04720	33.2
135.05066	0.6
140.34412	0.4
153.06624	0.4
165.89116	0.4
166.05075	0.8
173.04613	0.8
180.10300	0.8
191.05516	0.4
193.78278	0.4
204.00008	3.3
211.00117	100.0
212.00514	3.5
227.33717	0.4
257.97382	0.5
267.09729	0.6
324.93683	0.4
346.05554	13.4
346.09406	0.5
346.15717	2.5
347.05862	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1709
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
57.03433	2.0
58.00587	2.0
59.01379	45.9
60.01702	0.9
61.98825	1.5
69.03435	1.3
71.01381	25.5
72.63641	0.8
72.99310	5.4
73.02933	1.2
77.97803	0.9
79.95726	3.5
83.01372	1.2
83.05022	1.3
85.02953	4.8
87.00879	1.9
89.02023	0.9
89.02446	22.6
93.03464	2.9
95.01385	2.1
95.95225	1.1
96.95991	1.5
98.19852	1.4
99.08172	1.8
101.02441	20.1
102.02778	1.0
108.02167	4.9
113.02448	10.1
119.03506	13.1
123.04507	2.6
125.62967	0.9
129.77177	0.8
131.03557	0.9
133.02986	1.1
135.04506	5.1
137.09752	1.3
139.04042	1.7
139.11302	6.0
145.92241	0.9
149.04510	0.9
152.01111	2.4
153.05542	2.8
161.02417	6.6
167.10770	90.4
168.11102	5.1
173.04541	5.2
179.03506	6.1
179.05612	2.1
185.11827	19.4
185.13499	1.7
186.12105	1.9
193.24408	0.9
210.46001	1.0
347.11697	5.5
347.17093	100.0
347.24255	6.4
347.61691	2.4
348.17398	10.4
348.24487	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89998	2.1
70.81350	3.2
70.81699	5.1
119.44734	2.0
152.75230	2.7
232.70584	2.4
238.06085	8.3
239.06827	8.8
289.78229	2.4
291.19577	8.1
309.20712	100.0
310.20935	10.6
311.22159	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2223
Annotation	Protomycinolide IV
Peak:m/z	Relative Intensity
58.67532	0.3
59.01336	0.4
69.43983	2.1
73.45946	0.3
73.46368	0.3
74.36766	0.3
78.95938	0.3
98.19946	0.6
127.70773	0.3
271.48328	0.3
345.10321	0.3
347.22238	100.0
348.22610	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	348.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16747	0.7
54.56663	1.0
59.01378	100.0
60.01711	1.3
61.98814	1.3
64.81458	0.7
70.58868	1.1
70.59208	1.4
71.80302	0.7
75.54095	0.7
79.02170	0.9
98.30086	0.7
123.40196	0.8
154.86147	0.7
225.79189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9858
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
67.21698	0.5
70.67203	1.0
101.51674	0.5
113.97464	0.5
140.35678	0.4
162.98489	1.7
172.52658	0.5
203.99992	0.9
205.00113	1.4
205.99771	2.4
206.97432	74.4
207.97581	5.7
348.98633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01717	1.1
71.01395	0.6
71.08825	0.5
71.27180	0.6
71.27518	0.8
88.89690	0.6
89.18267	0.6
122.06122	1.5
135.04578	0.8
146.95581	0.5
147.06120	0.6
150.05644	2.0
161.02489	0.7
162.70570	0.5
179.03514	0.7
198.07675	1.3
239.57091	0.5
365.41470	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1866
Annotation	6,7-Dihydroxydihydrolinalool 7-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	0.9
57.03449	0.6
58.00600	1.3
59.01378	34.9
63.61419	0.3
69.46648	2.7
71.01380	19.3
72.99328	1.7
73.02958	1.3
73.89461	0.3
75.00882	0.5
83.01401	1.4
85.02945	3.2
87.00890	1.1
89.02440	14.3
95.01414	1.4
95.59479	0.4
98.20632	0.7
99.00927	0.4
101.02441	12.0
110.98499	0.4
113.02447	7.1
119.03495	5.3
131.03519	0.7
139.11264	0.5
141.12851	28.4
142.13184	1.4
143.03462	0.5
149.04588	0.5
155.14439	0.8
161.04625	0.4
169.12335	4.7
170.12639	0.4
171.13921	1.6
179.05595	0.7
183.13846	1.6
187.13382	55.0
188.13708	3.4
229.14397	1.5
349.18613	100.0
350.19012	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	349.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58907	2.9
59.01365	11.3
61.98814	3.8
70.07666	15.3
71.13457	3.6
96.96031	4.1
113.15039	2.9
145.49957	3.6
214.98647	3.1
253.37810	3.6
293.21185	43.7
295.22000	3.8
311.22278	100.0
312.22531	12.9
313.22882	8.1
319.22751	8.5
349.16931	3.4
349.20081	35.2
349.24063	7.6
350.20547	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	349.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33146	3.6
59.01371	14.8
59.92336	3.3
69.29085	8.8
69.29493	28.2
127.07639	5.3
127.98744	3.8
146.34273	3.8
183.13895	12.2
241.14418	5.4
311.22269	100.0
312.22589	10.6
313.22861	8.5
349.20123	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	349.2018
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
51.71433	0.4
58.00601	2.6
59.01378	14.7
61.98814	1.7
69.03450	0.6
71.01369	1.2
71.52161	0.6
72.99319	0.7
73.02943	1.2
74.02465	0.8
75.00881	0.7
80.02648	0.7
81.03450	1.6
83.05038	0.9
83.48727	0.5
83.91130	0.5
85.02943	0.7
89.02452	0.6
93.03417	1.0
95.05015	1.8
101.02425	1.3
102.39420	0.5
107.05026	2.5
109.02986	0.6
109.06568	1.6
119.05010	1.3
133.02939	2.2
134.03723	0.7
135.04521	3.0
138.05652	0.7
145.08655	0.7
147.04546	1.4
161.02423	6.7
161.04565	0.7
179.03600	0.7
181.05022	1.1
187.09692	1.0
188.09372	1.1
191.14409	1.1
197.04546	0.7
201.12828	1.8
209.11789	0.6
210.04065	0.7
217.72289	0.6
219.13942	0.8
221.15399	1.1
229.15875	1.3
241.33180	0.5
243.17485	0.9
245.19073	11.4
246.19501	1.2
253.08687	0.8
255.17505	1.8
257.15356	0.6
257.19189	1.0
267.17609	1.0
273.18576	0.9
275.20102	1.5
277.18066	2.1
285.18570	10.3
286.19019	0.9
287.20154	0.6
291.15848	0.9
299.83618	0.6
300.02551	0.6
303.19662	3.2
305.21207	51.3
306.21570	6.6
309.17072	0.9
349.20166	100.0
350.16287	1.1
350.20453	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	349.2019
Annotation	19(R)-hydroxy-PGB2
Peak:m/z	Relative Intensity
59.01372	1.5
61.98829	0.7
64.82010	0.2
66.31814	0.2
69.65675	0.8
71.01384	0.2
71.05017	0.2
72.12383	0.1
73.02958	0.2
73.32520	0.2
77.13322	0.2
77.13779	0.2
96.20731	0.2
99.04502	0.2
111.04537	0.2
123.04546	0.2
127.63908	0.2
133.02971	0.4
140.18469	0.2
147.13107	0.1
151.03986	0.2
161.02448	2.3
211.13426	0.2
219.13884	0.8
238.80554	0.2
255.83290	0.2
261.18585	0.2
275.16428	0.1
287.19904	0.2
289.18195	0.2
301.18063	1.7
302.18292	0.2
303.19818	0.2
313.07245	0.4
317.17465	0.2
319.19193	0.6
331.19122	0.7
349.20175	100.0
350.20508	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	350.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92939	0.6
59.01369	2.1
59.67596	0.6
59.84599	0.5
61.98829	100.0
70.77103	1.2
71.01401	0.9
72.99310	2.8
77.25634	0.5
85.02966	0.7
93.03460	0.8
109.02971	2.2
110.08319	0.6
119.05024	15.6
120.99648	0.5
133.02957	1.9
134.03752	0.9
135.04514	8.8
137.02534	0.8
147.04549	1.1
161.02444	4.4
163.03983	10.1
173.02449	0.6
173.04594	0.7
175.03960	0.7
179.03465	0.9
181.03471	1.2
181.05058	20.5
185.02473	1.2
185.06070	0.7
197.04625	1.4
197.11818	9.1
205.05104	0.7
217.16095	0.6
223.07678	1.9
239.07204	0.9
241.08766	1.1
241.99965	0.8
251.07144	1.2
261.18524	0.8
267.06683	1.0
269.08267	0.8
287.14935	0.8
293.04593	4.9
295.06241	2.6
307.19141	26.6
321.03952	3.4
336.06540	3.0
339.05173	2.1
350.16653	1.4
350.20682	5.8
351.08939	2.1
351.18079	56.3
351.21600	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	350.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51128	2.0
59.01380	33.5
60.84969	2.5
61.98829	95.6
70.47372	5.1
70.47729	4.6
119.05029	5.3
131.32608	2.2
133.36478	2.7
135.04501	4.4
142.02151	2.4
145.53671	2.3
161.02434	4.4
163.03964	4.8
169.75397	2.6
179.03600	2.9
181.05104	12.9
209.11673	4.5
225.14844	3.4
227.12851	27.5
269.13846	4.2
287.14987	100.0
288.15247	9.9
295.05997	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16143	1.0
52.50860	1.2
57.03453	2.3
59.01381	19.4
61.54576	1.2
61.98828	5.2
64.69009	1.0
70.91251	0.9
71.01382	13.1
71.51442	1.8
72.99290	5.2
73.02973	1.6
75.00870	15.4
75.37118	1.0
79.93958	2.4
83.01395	1.4
84.79345	1.4
85.02943	16.9
87.00862	6.7
89.02435	3.4
93.03461	2.9
95.01395	7.2
96.96002	1.2
99.00887	9.0
101.06077	100.0
102.06419	3.3
103.00353	2.0
108.04557	2.1
108.63943	1.4
111.04490	1.2
113.02446	21.7
115.00349	2.7
116.92927	1.1
117.01933	3.1
120.37605	1.3
122.06133	3.9
129.01947	1.5
133.02966	5.0
135.04558	2.3
136.04036	1.8
139.51370	1.0
146.08250	1.4
157.01576	1.2
166.05090	3.7
167.05873	2.7
173.04556	7.6
175.02464	1.7
177.01926	2.1
184.06105	1.2
195.01114	1.3
205.07130	1.7
231.05032	2.6
249.06165	18.3
250.06528	1.1
267.07217	1.5
289.11978	3.6
307.12970	6.8
333.11694	3.6
333.17032	1.7
351.12918	81.6
351.17825	5.3
352.13464	7.0
352.17252	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33022	0.7
57.03432	1.2
59.01378	25.0
60.01704	0.8
61.98827	3.6
62.70578	0.9
63.55116	0.7
64.31963	0.7
69.54690	3.4
71.01379	12.9
72.99316	0.9
73.02945	4.6
75.00872	3.2
83.01362	1.2
85.02954	6.8
87.00893	2.9
89.02441	7.5
92.05072	0.9
93.03458	3.8
95.01381	1.8
99.00878	1.7
99.04547	1.0
101.02441	6.5
101.06075	14.6
101.06680	1.3
113.02441	9.7
119.03499	2.3
120.16482	0.8
122.06139	1.4
127.07648	100.0
128.07957	4.5
132.04561	1.9
133.02945	3.3
137.02432	1.3
138.05569	1.3
144.04527	1.8
145.08675	1.3
146.02502	4.6
147.03256	2.9
148.03928	0.9
150.05705	0.9
153.05583	1.1
160.04012	5.5
161.04509	1.5
166.05074	1.4
167.05852	0.8
167.86400	0.8
168.06706	1.0
171.06616	81.9
172.04012	1.3
172.06982	3.6
173.04543	8.0
174.05594	1.0
177.01950	2.4
179.05754	0.9
186.50424	0.9
191.05573	1.9
206.43697	0.8
210.04062	1.1
212.05681	1.6
213.09082	0.8
214.05019	0.9
265.07138	1.1
267.07214	0.9
277.12219	1.1
289.11884	1.4
307.13391	3.3
337.03369	1.0
351.12903	70.3
351.16501	4.9
352.09735	5.8
352.13431	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	351.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00130	0.7
57.03427	1.5
58.00571	0.9
59.01375	10.9
67.01881	0.7
68.99813	1.2
69.03458	1.3
70.26136	2.6
71.01379	11.7
72.99306	3.2
73.02951	1.0
75.00869	13.0
83.01372	1.0
84.27186	0.7
85.02947	15.4
87.00875	5.6
89.02455	3.5
89.52461	0.7
93.60315	0.7
95.01393	4.3
98.20613	0.9
99.00883	8.7
101.06077	100.0
102.06409	2.2
103.00336	1.5
113.02448	21.7
115.00385	1.6
117.01927	2.4
122.06083	0.8
122.29553	0.8
129.01939	2.1
157.01399	0.8
162.47375	0.7
168.06569	0.8
175.02477	2.4
175.95328	0.7
191.05624	1.1
205.07022	1.0
211.04491	0.9
212.05707	1.5
231.05203	2.3
249.06119	14.6
267.07095	1.2
291.10916	0.9
307.53659	0.9
333.11905	2.5
338.21362	0.9
351.12936	83.2
352.13293	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92493	0.7
54.40212	0.7
57.03442	1.4
59.01377	11.3
67.01899	1.4
67.16935	0.7
70.70033	2.0
71.01377	12.9
72.64637	0.7
72.99308	3.7
73.02950	1.5
75.00872	15.1
85.02948	16.0
87.00867	4.8
89.02449	2.2
93.03470	0.9
95.01389	4.3
99.00886	7.2
101.06079	100.0
102.06435	1.7
103.00382	2.0
111.00853	1.0
113.02447	20.2
115.00384	2.7
117.01932	3.0
117.83827	0.7
129.01961	1.2
157.01430	1.5
173.04533	1.4
175.02437	1.6
207.02167	0.7
212.05595	1.4
231.05118	1.4
249.06139	13.7
267.07251	1.5
297.56921	0.7
311.08670	0.7
333.11813	2.4
351.12927	74.4
352.13425	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	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	2.3
59.01375	20.3
67.67520	0.8
69.03462	0.8
69.31197	4.6
69.31604	1.5
71.01376	17.3
72.99306	5.0
73.02943	1.5
75.00870	17.5
83.01386	1.2
85.02951	22.9
87.00876	6.1
89.02444	3.9
93.03452	1.6
95.01406	5.5
99.00861	9.7
101.02419	1.0
101.06077	97.9
102.06411	2.6
103.00367	3.3
113.02443	28.8
113.18328	0.7
114.02767	1.3
115.00372	2.8
117.01929	3.8
129.01958	1.2
133.02927	2.5
157.01382	1.9
170.68542	0.7
173.04552	5.2
175.02469	3.4
177.01935	1.7
182.43541	0.8
186.97852	0.8
205.07152	2.5
223.08163	1.0
249.06166	5.0
266.40503	0.8
267.07214	4.4
281.55499	0.8
333.11880	2.5
351.12933	100.0
352.13226	9.7
355.00983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03775	2.5
59.01377	84.3
61.98821	10.7
71.01382	11.5
71.40028	2.1
73.02955	5.4
81.03461	1.0
83.01382	3.5
85.02934	7.7
89.02420	1.2
93.03459	1.8
97.32666	1.1
99.00880	2.7
99.04517	78.9
100.04856	2.4
101.02438	33.7
105.03484	1.1
113.02444	5.8
123.03188	1.4
125.02443	20.3
129.87109	1.1
133.02943	2.6
143.03493	1.6
159.03038	1.4
161.04572	6.7
161.54305	1.3
173.04527	4.2
191.05519	1.2
207.08720	40.3
208.08960	1.3
231.11328	1.6
249.09770	5.3
255.31827	1.1
259.10687	2.7
289.12714	2.5
307.12927	1.3
351.12817	8.2
351.16687	1.6
367.20163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.156
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10838	0.8
59.01376	9.5
61.98828	100.0
73.06045	0.9
75.00871	2.8
76.25521	1.0
95.95158	1.0
96.96010	3.9
118.74448	1.0
122.47118	0.8
129.27907	0.8
160.86995	1.0
168.13942	1.6
170.08572	0.9
231.10226	1.5
254.04253	0.9
351.18149	1.6
351.21909	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29966	0.4
53.48429	0.5
59.01378	100.0
60.01719	1.1
61.98850	0.8
70.52666	1.4
72.99314	0.7
85.02949	0.6
93.03471	1.6
106.36446	0.4
109.02982	0.6
114.09309	0.6
117.38241	0.5
119.05025	2.5
123.04549	0.8
133.02963	4.8
134.03700	0.6
135.04530	4.1
142.08792	0.5
145.02873	0.6
161.02435	8.2
162.02740	2.5
163.04097	1.1
173.04543	5.2
177.01906	1.0
179.03645	1.1
181.05048	2.7
188.09282	2.5
189.09618	2.0
197.04590	0.7
301.34378	0.6
351.18085	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	351.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99406	0.4
59.01377	100.0
60.01702	1.5
60.19931	0.4
61.98822	1.5
70.64828	0.4
71.01380	3.1
72.99303	1.3
73.02954	1.4
74.52237	0.4
78.29501	0.3
83.01365	0.5
85.02961	1.3
87.36611	0.3
93.03474	0.7
99.00903	0.4
99.04514	11.5
101.02429	2.5
102.05622	0.6
109.02984	1.0
109.06608	0.6
113.02461	1.1
115.16488	0.4
119.05010	2.8
123.04576	0.5
133.02917	2.4
135.04514	5.0
147.04578	0.5
161.02434	6.9
161.04526	1.9
162.02806	1.6
163.04074	1.5
173.04532	0.6
179.03505	0.7
181.05045	4.1
182.05402	0.6
245.12196	0.8
269.10336	2.4
322.86502	0.4
339.05582	0.6
351.14709	1.6
351.18567	2.0
351.21915	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2172
Annotation	PGK1
Peak:m/z	Relative Intensity
51.83121	0.6
52.90280	0.4
59.01378	7.6
61.98833	0.8
71.53022	0.7
73.16705	0.4
75.88273	0.5
83.05007	1.1
96.96014	2.7
96.96528	0.4
134.62798	0.4
205.15939	0.9
217.15987	2.0
219.17415	0.9
231.10277	3.5
257.19241	1.1
259.20697	3.4
268.29330	0.5
275.20084	1.1
277.21701	2.0
287.20166	9.5
288.20526	1.0
305.21225	0.6
333.20676	5.0
334.21057	0.8
342.96866	0.5
351.21735	100.0
352.22092	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2176
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
58.77364	0.7
59.01368	3.0
61.98823	1.3
69.03425	0.7
69.52022	2.6
69.52429	1.8
77.24992	0.7
77.87753	0.7
81.03452	5.0
81.27641	1.0
84.90643	0.7
87.32015	0.7
93.03441	0.7
98.01910	0.7
98.20644	1.1
99.04537	1.0
107.81048	0.7
121.77477	0.7
123.04527	8.2
133.02966	1.4
134.03741	1.2
135.04543	9.1
149.02435	0.8
161.02428	3.9
173.04507	1.2
179.03502	8.9
180.03978	0.8
181.58742	0.7
182.26634	0.7
247.09734	1.0
263.07492	3.0
267.06659	1.1
307.22720	1.7
351.21671	100.0
352.22098	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	351.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71542	0.4
57.03436	1.9
59.01379	2.6
61.98829	1.0
62.36942	0.4
67.01891	0.8
67.73252	0.4
71.52274	0.5
72.99303	0.5
81.03449	6.4
83.05026	0.6
84.18097	0.5
85.02935	0.5
93.03458	0.6
95.05032	0.6
97.06602	0.6
99.04526	0.8
108.02286	0.4
109.02932	0.9
109.63327	0.4
111.04483	0.4
121.02988	0.7
123.04520	8.0
123.66854	0.4
133.02939	2.0
135.04510	8.1
136.04803	0.7
137.02512	0.4
137.09666	0.5
139.04092	0.4
145.02908	0.6
149.02380	1.0
150.41858	0.5
150.82126	0.4
161.02438	3.3
167.03465	1.3
167.10782	0.6
173.04588	0.7
179.03493	8.4
180.03818	0.7
185.04559	0.5
211.02454	1.0
244.37462	0.4
257.19141	0.6
267.06631	2.8
268.06851	0.7
287.20166	0.8
289.21585	0.4
307.19119	0.8
307.22836	1.0
311.05539	1.3
312.05734	0.5
351.21729	100.0
352.17960	0.8
352.22098	12.8
357.98987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.1
59.01381	3.3
61.98812	1.8
62.30053	0.7
63.49413	0.5
69.36260	1.9
69.36677	2.6
80.05058	17.7
92.05080	1.5
93.03443	2.6
94.06613	0.7
97.06607	0.5
106.02975	2.1
111.04469	0.7
120.04551	13.9
123.08103	0.8
125.09708	8.7
133.02986	1.1
134.03708	2.4
135.04518	7.2
136.07625	0.9
137.02435	1.0
161.02365	0.9
173.04514	7.8
178.02692	2.1
179.03485	5.4
191.05611	3.4
199.08946	0.9
220.17009	5.5
246.15012	2.9
250.31673	0.5
264.16013	100.0
265.16367	9.1
275.09189	1.2
284.13873	0.6
290.13953	1.5
293.10315	1.2
308.15015	54.5
309.15314	5.1
334.13101	0.8
352.14035	19.0
352.21796	0.7
353.08481	1.0
353.14279	1.8
353.23462	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	353.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	3.1
59.01376	11.7
63.73081	2.7
71.01372	21.9
71.28497	3.2
73.02940	3.3
93.03450	4.6
99.00874	44.6
101.57291	2.9
108.02175	5.4
111.00934	4.6
111.04516	3.2
124.01687	6.8
124.59523	3.1
132.02142	4.7
133.02954	5.6
134.03787	18.9
135.04492	16.8
145.02924	7.5
146.03770	4.7
147.04510	12.6
148.01662	8.1
148.05283	23.1
149.06088	9.6
157.54886	3.3
158.03699	5.4
159.03133	4.6
159.04497	25.3
160.01570	6.3
160.05295	36.1
161.02460	15.3
161.06004	11.7
162.03221	64.7
162.06825	4.0
163.04007	18.0
163.07635	6.0
164.04692	10.0
172.05266	9.1
173.02467	3.1
173.04660	7.2
173.06055	47.6
174.03157	10.1
174.06677	3.4
175.03999	20.3
175.07608	10.2
176.04784	16.9
177.05559	100.0
178.06206	12.2
179.03471	4.2
179.07170	3.8
184.05350	16.9
184.06740	3.4
185.04442	3.1
185.06010	4.9
186.03316	3.7
187.03978	13.6
188.04776	63.2
189.05484	13.4
190.02725	18.1
190.06380	21.2
191.03308	5.2
191.05487	5.7
191.07077	7.7
193.08618	7.1
194.02040	3.6
195.06584	4.3
199.07637	7.7
201.05565	10.9
202.06349	37.5
203.03493	3.9
203.07120	27.0
204.04250	32.5
205.05034	38.5
205.08669	4.9
207.06628	10.3
214.06364	3.5
215.03358	4.0
216.04352	8.1
217.08675	83.6
218.02155	5.1
218.09026	6.8
219.02943	11.2
219.06612	91.3
220.03618	3.0
220.07068	6.9
221.08176	57.2
223.06161	4.4
231.06612	41.1
232.06898	4.0
233.04549	12.9
235.06100	42.3
247.06056	6.6
249.07681	46.9
251.05580	52.6
253.06891	3.2
261.07574	7.0
265.07187	13.5
273.07614	4.1
291.08643	6.2
293.06668	58.1
294.07181	5.2
309.09680	5.6
347.49142	3.5
353.08795	39.3
354.09335	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	353.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.3
69.33305	2.9
69.33727	6.6
71.01376	14.9
73.02941	17.0
81.03439	2.1
83.05024	6.4
85.02942	4.5
89.02433	20.3
93.03450	45.7
94.03751	1.3
99.00888	6.2
99.04489	5.2
101.02421	5.5
111.04515	18.2
113.02420	5.0
119.03471	3.4
129.01901	3.8
131.03503	2.4
137.02437	11.7
143.03496	4.8
155.03537	10.6
157.20288	1.1
161.04500	1.8
173.04533	100.0
174.04858	3.0
179.05598	9.2
191.05548	5.7
195.41991	1.3
244.84941	1.2
247.10675	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38963	1.7
57.03440	2.4
59.01380	73.4
61.98834	2.2
67.01889	5.4
69.03468	2.8
70.01570	4.1
70.01962	3.6
71.01376	5.7
81.03449	2.3
83.05019	2.6
85.02963	11.2
87.00911	3.6
93.03461	27.9
97.06568	2.4
105.18203	1.8
107.05043	2.2
111.04538	4.8
127.03970	3.0
133.02979	4.5
134.03758	13.7
134.06091	2.5
135.04530	77.8
136.04877	3.5
137.02440	6.9
137.06055	1.9
139.11269	3.0
155.03503	4.7
161.02412	7.2
161.13307	7.9
173.04550	100.0
174.04895	5.4
174.52330	1.9
177.01953	3.8
178.02692	6.6
179.03500	72.7
180.03841	5.2
185.11772	2.3
191.05602	64.5
205.12302	24.7
206.12491	2.8
214.12148	2.6
223.91138	1.9
249.11223	2.0
275.09149	2.1
293.10138	6.0
322.14066	2.4
353.08417	11.9
353.19461	4.5
353.23318	31.0
354.23691	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	353.2119
Annotation	Guayulin B
Peak:m/z	Relative Intensity
53.02058	0.3
61.92344	0.3
69.25289	2.6
85.47769	0.3
87.83857	0.3
96.96024	1.9
114.20572	0.3
139.09464	0.3
140.79865	0.3
147.08109	0.5
163.11279	91.4
164.11592	5.7
177.09200	66.5
178.09544	4.6
194.05867	0.4
195.95692	0.3
220.46245	0.3
353.21188	100.0
354.21548	14.0
354.26013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2333
Annotation	Prostaglandin H1
Peak:m/z	Relative Intensity
51.80396	2.0
57.03444	8.4
57.04767	2.4
58.14956	2.3
59.01373	5.2
61.98833	5.1
66.82550	2.2
69.03434	4.1
70.99877	4.1
71.01392	2.6
71.05010	4.4
74.58504	2.4
85.02975	2.1
93.03451	3.3
99.04486	2.3
101.06100	16.1
111.08156	7.6
123.08176	2.8
134.03691	2.5
135.04523	10.5
137.02475	2.2
139.11305	14.1
151.11247	4.7
152.99619	5.5
153.12923	2.5
168.11565	8.5
169.12344	30.8
173.04568	8.6
178.02725	4.0
179.03453	9.2
183.13899	16.5
187.08350	2.2
191.05614	7.1
209.15517	2.7
223.17026	3.6
229.14442	7.6
233.19066	6.1
251.20142	35.6
252.20398	3.5
309.24377	27.9
310.24677	3.9
353.08691	3.3
353.23315	100.0
354.23572	12.1
362.98074	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.8
61.98829	100.0
72.61974	4.2
92.42373	4.1
98.20636	16.6
103.21974	4.2
155.25342	3.8
176.57091	3.8
354.18195	5.7
355.19159	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28588	5.0
59.01356	8.6
61.98827	100.0
62.91182	4.2
69.28362	45.2
69.28683	4.7
70.02641	5.1
77.67904	4.5
79.17368	5.3
98.19928	12.0
135.04596	6.9
192.87718	6.2
199.00656	7.4
345.92044	4.7
354.18219	18.6
355.15515	6.8
355.19751	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	355.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33036	0.6
59.01376	1.2
68.96601	0.8
69.49711	4.8
83.01369	2.3
83.56828	0.7
90.81235	0.6
135.04478	1.4
143.05042	0.8
151.03935	0.9
155.05072	1.2
161.02429	1.4
171.04489	2.0
172.05264	0.8
173.04446	1.4
179.03464	1.3
181.06630	1.5
182.03699	1.1
183.04509	1.6
183.08049	1.0
193.06615	0.7
195.04439	1.4
196.05228	1.9
197.06058	2.8
198.03163	2.1
199.03967	7.8
209.06013	4.8
210.03203	2.1
210.06639	1.3
211.03992	14.7
211.07568	2.3
212.04565	2.6
213.05522	1.0
219.04553	0.8
221.06058	2.5
223.03926	2.4
224.04768	5.7
225.05495	2.6
226.02698	2.5
226.06238	1.9
227.03485	67.9
227.07123	4.4
228.04214	30.4
229.04559	1.8
236.04866	0.7
237.05557	5.3
238.06291	8.5
239.03419	2.2
239.07062	5.1
240.04285	12.0
241.05019	8.6
248.04846	2.1
249.05527	3.1
250.06161	1.3
252.04118	1.1
253.05034	1.5
254.05734	3.1
255.06651	7.6
264.04364	1.2
265.04993	4.3
266.05804	2.2
267.06555	9.0
268.06973	1.0
279.54233	0.6
279.57816	0.8
282.05420	0.9
283.06140	5.5
293.04504	1.5
294.29111	0.7
311.05585	100.0
312.05945	10.0
350.73669	0.8
355.04532	14.3
356.04901	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	355.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83929	2.3
69.48378	1.8
69.48717	13.9
70.03024	1.9
88.50293	1.8
92.91821	2.0
98.19874	1.8
109.78390	2.2
118.45821	2.2
134.03743	36.4
135.04535	4.1
137.02454	3.9
141.21246	2.4
145.03188	1.9
149.06053	11.2
161.02464	2.7
165.08566	1.9
171.04517	3.9
173.04507	5.1
178.02722	24.8
193.05043	64.5
193.06795	3.4
194.05374	3.9
195.04463	2.1
196.05200	2.4
197.02586	2.0
199.03926	6.5
201.70853	2.0
209.06047	6.3
211.04033	18.8
211.07474	3.0
212.04716	3.4
220.05264	2.5
221.06079	3.6
224.04817	4.2
225.05490	3.3
226.02730	3.0
227.03484	62.3
228.04213	26.0
229.04749	1.9
237.05566	5.8
238.06207	6.4
239.03436	5.0
239.07043	3.5
240.04254	25.0
241.04776	3.4
248.04720	3.0
249.05508	7.8
250.06346	2.3
253.04990	4.7
254.05777	4.8
255.06493	2.8
265.04968	5.7
266.05844	2.8
267.06647	11.9
268.06851	2.8
282.05365	2.4
283.06134	6.8
311.05606	100.0
312.05890	12.4
320.77899	2.4
358.29132	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	355.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	2.2
70.06962	1.0
83.01389	3.2
113.09013	1.4
117.66685	1.1
134.03741	2.5
135.04497	3.3
155.05026	1.5
161.02431	3.6
171.04512	3.1
173.04541	1.4
178.57779	1.2
179.03481	1.6
183.04483	3.6
184.74358	1.4
193.06573	1.6
195.04422	1.8
196.05240	2.3
197.06067	4.0
198.03200	2.3
199.03986	7.3
199.07491	1.7
209.06090	6.1
210.03253	2.4
210.06924	1.4
211.03992	15.0
211.07449	2.3
212.04449	3.4
221.06102	2.4
223.04004	2.4
224.04756	5.9
225.05438	2.6
226.02762	2.6
227.03500	73.0
227.07155	4.5
228.04216	34.1
229.04568	2.5
237.05511	4.7
238.06387	7.8
239.03368	2.5
239.07001	4.2
240.04276	14.8
241.05072	8.6
248.04657	2.1
249.05565	4.0
250.06337	2.0
252.04305	1.7
253.05045	2.2
254.05678	3.4
255.06618	11.7
265.04987	5.4
266.05780	1.8
267.06555	10.1
272.67114	1.2
282.05722	1.1
283.06161	6.7
311.05615	100.0
312.05951	10.0
322.69656	1.3
355.04504	2.1
364.87198	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91484	1.6
55.01864	2.8
57.03431	5.2
59.01378	34.3
59.95328	1.7
61.98811	7.5
67.01891	3.1
68.99803	3.5
69.03437	2.3
70.69022	3.3
70.69356	2.2
71.01384	33.4
72.99301	6.3
73.02953	3.0
75.00872	28.6
81.03469	1.8
83.01364	2.4
85.02460	2.7
85.02946	39.2
87.00877	17.0
89.02437	12.0
91.03990	2.1
93.03458	6.5
95.01374	10.8
96.96014	1.8
99.00886	16.0
101.02444	3.9
103.00367	2.5
104.99445	3.8
105.00158	74.1
105.03778	12.1
109.02942	2.7
111.00854	3.9
113.02438	45.5
115.00351	3.0
117.01937	7.2
119.29284	1.6
121.02962	5.4
129.01897	4.0
134.03738	16.2
135.04561	2.6
148.29108	1.7
149.06053	4.2
157.01389	2.2
161.02477	2.1
161.04478	2.6
173.04538	14.3
175.02446	3.9
175.05128	1.9
178.02751	2.5
179.03491	2.5
191.05576	3.4
193.05026	16.8
193.88696	2.0
199.03960	3.1
207.17952	1.7
211.04016	2.7
227.03467	16.5
228.04146	4.7
231.05046	5.6
231.09964	1.9
237.05638	3.8
240.04236	8.2
249.06136	100.0
250.06523	5.1
265.04993	2.8
267.07181	72.1
268.07397	5.7
283.06076	3.7
311.05597	30.8
312.05951	2.7
355.06976	75.2
355.10449	6.8
356.07132	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	355.1034
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01384	1.2
61.98830	0.6
70.26257	1.6
71.01370	0.7
72.99302	0.4
93.03428	0.6
99.32835	0.4
109.02941	0.8
114.05601	0.6
121.02950	1.8
133.02948	2.0
134.03737	59.0
135.04115	2.0
137.01466	0.7
137.02441	7.8
139.04016	2.0
149.06071	17.4
150.03212	1.1
150.06396	0.8
161.02434	1.7
173.04544	0.8
178.02708	32.0
179.03088	2.4
193.05045	100.0
194.05403	6.1
211.04025	0.6
224.04842	0.5
227.03516	3.9
228.04243	2.8
237.05568	0.5
239.07074	0.5
240.04031	0.9
241.05101	0.7
253.04874	0.6
255.06671	0.6
267.06653	0.9
311.05603	6.0
312.05862	0.9
355.04459	0.5
355.10550	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.22860	0.7
69.66376	0.8
70.26044	2.4
70.26387	0.8
99.96724	0.7
121.02962	1.0
133.02892	1.6
134.03738	63.3
135.04060	1.9
137.02423	8.2
139.03949	1.6
149.06082	18.6
150.03178	0.9
171.04509	0.8
173.04474	0.9
175.03946	1.0
178.02708	35.6
179.03197	1.9
193.05037	100.0
194.05374	6.1
199.03915	0.9
211.03934	2.4
227.03493	7.3
228.04274	3.6
237.05534	0.8
238.06223	1.1
240.04221	1.1
255.06537	1.0
265.05099	0.7
311.05597	12.1
312.06036	1.4
355.04474	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	57.0
61.98823	35.1
71.01370	15.2
72.99306	20.6
79.60802	9.7
87.00865	9.8
93.03470	14.0
109.02956	13.8
134.03766	10.9
135.04510	39.4
136.91130	11.6
136.92252	10.9
151.03984	11.2
161.02264	9.7
166.01019	10.0
173.04561	23.9
177.01956	31.7
195.04597	10.7
225.05418	10.2
227.03467	32.3
228.04178	14.9
239.03383	11.2
240.04236	24.1
249.50575	12.1
267.06616	16.2
269.27393	10.2
311.05588	50.3
355.04745	12.7
355.14261	13.4
355.21295	100.0
366.51028	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	355.158
Annotation	Dipegine
Peak:m/z	Relative Intensity
57.34496	0.4
59.50703	0.5
61.98820	2.1
63.34560	0.4
70.18211	0.8
70.18604	0.9
75.64817	0.4
79.82484	0.4
79.95734	1.3
84.93880	0.9
96.01545	0.4
98.95615	0.6
99.92579	54.3
100.92586	3.7
100.93368	2.8
115.92073	29.8
116.92854	100.0
117.92870	6.3
117.93651	0.7
199.00677	8.7
200.01151	0.4
208.12431	0.4
225.22307	0.9
275.23700	0.7
311.16779	1.4
325.14670	1.6
343.15720	2.4
355.15747	81.7
355.19559	17.2
356.15952	12.8
356.19864	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	355.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62505	3.3
57.03445	6.9
59.01386	17.2
61.98826	8.6
69.03471	4.6
70.99561	6.1
71.01375	11.5
71.04998	3.9
73.02950	3.0
73.69208	2.9
81.03481	4.6
81.53497	2.9
83.05025	7.7
85.02956	6.1
85.06577	5.0
93.03460	5.1
95.01389	3.6
95.05004	3.9
97.02936	6.5
97.06586	14.7
99.00889	3.8
107.05038	4.4
108.02182	3.4
109.02938	4.4
109.06594	17.8
111.00894	4.9
111.04503	5.1
111.08152	9.8
113.06101	5.3
118.98090	11.0
119.04997	14.3
121.06590	4.3
123.04504	6.5
123.08154	18.3
124.01701	4.3
125.02415	3.9
125.06100	18.1
125.09718	91.8
126.10049	5.4
127.07626	6.6
127.11263	6.7
129.10345	7.4
131.95007	3.0
135.04533	7.2
137.06070	6.3
137.09674	4.2
139.03986	5.6
139.07616	10.4
139.11287	4.5
143.07155	18.5
149.06081	5.2
153.05553	11.5
153.09215	9.5
154.02699	8.8
155.07170	4.2
155.10809	9.2
161.02466	5.1
163.04001	8.3
164.07132	5.1
165.05621	5.3
167.07141	24.6
171.10228	17.5
171.11485	4.9
179.03448	3.1
180.04121	3.2
183.06628	21.3
183.10210	10.4
185.11757	5.5
187.09752	86.1
188.10046	5.5
199.09702	13.7
201.11301	100.0
202.11681	8.9
209.06467	4.0
213.11334	6.1
215.12877	4.3
223.09787	3.5
224.04755	4.6
227.03596	16.8
228.04300	9.1
229.10667	4.0
236.12897	7.6
240.04178	6.5
241.10867	6.0
249.05835	3.8
259.13135	5.0
265.04980	5.5
265.18039	4.2
267.06607	12.1
280.11844	7.5
283.05737	3.8
291.15961	6.5
293.17456	4.2
294.17197	4.8
295.15234	3.8
300.66284	3.4
301.14200	4.2
309.17014	3.6
311.05637	36.8
312.14502	5.8
319.16516	25.2
327.17996	6.5
337.16559	53.7
338.16592	6.1
355.04419	6.7
355.11868	3.7
355.12759	4.6
355.17633	63.1
355.24838	13.8
356.17624	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	355.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.2
59.01381	26.7
61.98817	2.5
69.03453	2.2
71.01382	1.6
71.04995	2.2
71.51936	2.1
72.99300	1.5
81.03455	1.6
82.71894	1.1
83.05022	2.8
85.02953	1.8
85.06590	1.6
91.63367	1.0
93.03481	1.4
93.07098	5.7
95.05049	4.2
97.06590	4.0
107.05043	3.3
108.02172	1.7
109.06580	6.1
111.00877	2.1
111.04539	3.0
111.08163	13.6
113.06123	1.6
120.99673	5.9
121.02917	1.7
123.04584	1.5
123.08163	4.3
125.06115	3.9
125.09731	9.2
126.11269	1.2
135.04524	2.5
137.06139	3.6
137.09732	17.8
139.07648	1.2
139.11330	1.8
141.09270	1.7
143.10777	1.3
147.04514	1.2
149.06053	1.6
150.06902	3.6
151.03990	1.9
152.04790	8.3
155.07137	1.3
161.02504	2.2
163.07753	1.4
164.08394	1.7
165.05569	3.5
166.72897	1.1
167.07138	3.4
171.10246	4.1
177.12801	1.7
179.03558	1.9
181.08826	1.6
183.06604	1.7
183.10260	1.5
187.09743	2.8
199.09669	1.8
201.11320	2.6
203.14381	1.2
207.13892	2.3
231.13945	1.6
231.17496	4.8
233.15434	6.6
247.17290	2.6
249.14874	7.1
251.16539	1.8
253.14479	1.2
257.15552	1.8
259.13336	12.3
265.18085	3.3
266.11581	9.7
267.16153	1.4
271.89145	1.2
275.16464	6.7
277.14465	11.8
278.14569	1.6
283.06238	1.3
283.19257	1.8
284.19855	1.4
293.14401	1.8
293.17590	55.4
294.17828	6.1
295.15515	29.4
296.15964	3.3
311.05597	1.2
311.18912	1.3
319.15570	3.1
336.38400	1.1
337.16583	7.7
349.25641	1.1
355.17642	100.0
355.24973	8.1
356.17981	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1947
Annotation	Lehualide I
Peak:m/z	Relative Intensity
54.49186	2.3
59.48246	2.6
61.98826	19.0
62.96928	2.5
66.76208	2.6
71.52163	3.6
79.95728	5.5
154.37766	2.6
174.02388	2.5
188.19005	2.4
199.00703	35.3
200.00920	2.8
210.64998	2.4
242.80118	2.8
275.23889	3.2
321.50394	2.4
355.15073	4.8
355.19473	100.0
356.19684	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
53.89224	1.1
61.98814	4.0
64.13965	1.0
65.17311	1.1
69.19315	4.7
69.19748	5.4
72.28156	1.0
75.64948	1.0
85.02946	1.8
98.28374	1.2
109.02957	1.8
111.00877	2.1
114.28060	1.0
115.68005	1.0
122.03727	10.3
122.04549	1.3
123.22499	1.0
127.07599	1.8
135.04527	24.0
136.01660	1.9
147.08150	3.1
149.06024	1.5
149.09705	7.0
151.07536	1.5
154.02692	2.5
161.09695	10.5
163.07648	3.3
163.11275	56.0
164.08426	16.7
164.11545	1.4
165.09174	8.0
166.09529	1.2
177.09193	76.8
178.09984	20.3
179.10767	77.4
180.11108	4.4
183.10245	1.2
187.11234	2.1
191.10750	12.1
193.08704	11.5
194.09019	1.0
249.53784	1.0
265.12292	2.3
280.14664	3.9
298.15710	54.4
299.16092	6.2
307.16907	2.3
309.22232	1.3
337.21707	59.3
338.21915	6.8
340.20395	89.5
341.20712	12.9
355.22787	100.0
356.23117	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	355.2486
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
50.27964	0.2
57.03434	0.5
59.01383	1.5
61.98816	0.3
69.78941	0.2
69.94971	0.6
69.95382	0.4
71.05009	0.6
83.05007	0.4
95.05017	0.5
97.06601	3.0
109.80775	0.2
113.06104	0.5
123.08151	0.4
125.09701	0.9
150.85628	0.2
152.41428	0.2
153.12866	1.9
183.17493	0.8
197.11780	0.2
219.22771	0.2
227.16518	4.9
228.16772	0.4
239.16498	4.0
240.16902	0.4
265.17914	0.2
267.19547	0.3
295.22723	2.6
296.23099	0.2
307.22794	1.3
309.24457	0.3
319.22714	1.2
325.23813	22.0
326.24136	2.3
337.23792	2.0
355.24866	100.0
356.25226	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	355.2487
Annotation	13,14-dihydro-15-keto-PGF1alpha
Peak:m/z	Relative Intensity
50.40783	0.3
57.03437	0.6
59.01375	0.7
69.86707	0.6
69.87110	1.0
71.05016	0.4
73.03435	0.3
87.04499	0.6
95.05066	0.4
97.06599	2.0
98.20576	0.4
123.08152	0.9
125.09657	0.4
139.11273	2.1
149.90616	0.3
153.12837	1.2
155.14352	0.4
183.17491	0.5
185.11856	0.4
187.07643	0.4
199.13333	1.0
225.14977	0.6
227.16566	2.3
239.16422	2.0
265.18048	0.6
267.47379	0.3
295.22800	3.0
307.22897	1.7
319.22733	0.9
325.23837	22.4
326.24179	2.4
337.23846	2.4
355.24869	100.0
356.25211	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	355.3216
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
61.98825	4.5
68.09167	0.7
74.71346	0.6
79.95745	0.9
85.91087	0.6
98.19888	2.2
136.97884	0.7
199.00639	5.4
220.59454	0.8
229.01756	0.8
309.31686	3.6
337.31189	1.2
351.37677	0.9
355.19531	15.3
355.32153	100.0
356.19943	1.3
356.32550	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93749	0.7
59.01378	2.8
60.99304	3.9
61.98830	14.2
71.49683	0.9
72.99313	1.0
83.01395	1.9
84.56458	0.6
87.00854	0.7
88.98808	27.3
89.02441	13.8
93.03442	1.1
96.96027	0.7
108.02180	0.8
109.02942	2.7
121.02943	1.1
122.03734	1.9
123.04525	72.9
133.02956	0.8
134.04724	1.0
135.04509	1.1
149.06064	0.7
151.04016	0.8
152.07184	6.1
153.05577	100.0
161.02446	1.3
162.92546	0.8
173.04594	0.8
183.91165	0.6
191.05704	0.7
203.03581	0.9
220.93062	1.0
228.03851	0.7
251.06604	0.7
268.07224	0.9
269.08124	1.4
312.06027	1.5
313.07037	0.9
313.42133	0.7
356.10919	0.8
357.13562	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	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.4
61.98829	100.0
69.84081	1.3
69.84489	0.7
83.01405	0.8
92.07126	0.4
94.80743	0.4
98.19972	0.5
121.02960	1.0
125.09719	1.0
148.13835	0.4
164.29158	0.4
167.77495	0.4
185.71756	0.4
187.09793	0.4
207.09065	0.4
220.14667	0.4
221.15549	0.6
236.10583	0.4
252.61263	0.4
324.71063	0.4
357.13422	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12047	2.4
61.98830	100.0
63.39241	2.3
70.37997	5.2
74.42216	2.3
74.42659	2.5
83.01394	5.4
97.21299	2.1
115.80643	2.2
121.02920	2.8
124.17205	2.7
138.66159	2.1
153.36790	2.1
238.32339	2.4
357.13409	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.2
69.56789	4.1
73.06862	0.5
74.02471	0.8
77.00231	0.6
81.03457	1.2
83.01378	1.1
100.98807	0.8
108.02180	3.7
109.02949	100.0
110.03283	2.9
115.05566	0.9
117.70450	0.7
119.04989	0.8
121.02941	1.4
123.04520	4.6
126.96861	0.5
129.03510	0.9
130.04231	0.8
130.08766	1.3
131.05042	2.8
133.02954	7.3
134.03690	2.3
135.04527	12.5
145.02942	3.0
146.03723	2.2
147.04520	8.9
151.04080	1.5
153.05544	2.4
155.48053	0.7
158.03755	1.1
159.04503	30.0
160.04933	1.9
161.02417	6.8
162.02708	0.7
173.02364	1.0
173.04532	0.7
174.03204	0.9
175.03995	7.4
177.01949	1.3
179.03477	3.5
185.05980	0.7
191.03510	1.2
193.05072	2.5
194.05331	1.6
195.05466	1.1
197.05933	0.7
198.06857	0.8
199.07553	1.4
203.03499	25.5
204.03859	1.3
211.03932	0.8
211.07523	0.8
223.07664	0.9
225.05579	1.3
227.06848	0.7
237.05560	2.6
238.06133	0.7
239.07016	1.0
241.04997	0.7
241.08655	0.6
247.02481	2.4
250.06218	1.4
251.07120	3.0
252.07790	1.0
253.05005	2.0
254.05872	4.7
255.06467	3.4
256.07056	0.6
267.06488	4.3
269.08182	47.2
270.08496	5.0
295.06088	2.1
313.07181	24.3
314.07593	3.0
338.70074	0.6
340.18723	0.7
357.06146	17.6
357.13217	1.1
358.06369	1.8
358.19864	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0614
Annotation	Epiphyllic acid
Peak:m/z	Relative Intensity
59.01378	3.6
63.90967	0.6
70.30460	1.3
70.30817	1.4
70.40591	0.6
74.02480	1.2
81.03488	0.7
83.01372	1.1
98.02448	1.0
98.19976	0.7
106.96844	0.6
108.02206	3.0
109.02947	100.0
110.03300	3.6
113.19710	0.6
115.05542	0.6
119.05018	1.5
121.02973	1.1
123.04523	3.8
129.03510	1.0
130.04210	1.0
131.05034	2.7
133.02956	7.2
134.03767	1.2
135.04517	10.1
141.87572	0.8
145.02939	2.6
146.03731	1.7
147.04509	7.9
151.04004	1.3
153.05563	3.5
158.03722	1.9
159.04504	31.1
160.04900	2.1
161.02406	4.1
162.02676	0.6
163.03970	0.7
173.02437	0.7
174.03218	1.3
175.03986	7.8
179.03474	3.0
191.03429	0.8
193.05017	0.8
194.05356	0.9
197.06035	1.1
198.06786	1.1
199.07642	1.2
203.03488	23.4
204.03795	1.1
211.07613	0.7
221.05978	0.7
223.07658	1.3
225.05379	0.9
226.06383	0.8
227.07104	0.7
237.05544	2.4
239.07082	1.4
240.07713	0.7
247.02472	2.1
250.06331	1.2
251.07080	2.4
252.07780	1.4
253.05093	1.7
254.05783	4.9
255.06573	1.9
266.05933	1.3
267.06570	4.7
268.07336	0.9
269.08157	47.7
270.08551	3.8
295.06171	2.5
313.07129	23.8
314.07599	2.9
357.06128	14.1
357.13120	0.8
358.06586	1.8
358.20023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0615
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.49879	0.3
57.03439	0.4
59.01377	1.2
63.10258	0.3
69.16371	2.0
69.16801	1.2
81.28316	0.3
83.01382	0.4
85.58549	0.3
93.03484	0.5
121.02952	100.0
122.03284	4.5
161.83173	0.3
165.01894	1.5
180.05791	1.7
181.06563	7.3
182.06949	0.8
185.11870	0.9
225.05562	5.4
247.46861	0.3
297.24222	0.5
309.24588	0.4
313.07129	8.4
314.07550	0.8
327.25388	2.4
339.25638	0.7
357.06137	38.3
357.13385	1.0
357.26413	23.1
358.06424	4.7
358.26816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0978
Annotation	Cimiracemate B
Peak:m/z	Relative Intensity
59.01383	4.7
61.98827	3.4
69.03481	1.3
71.01394	1.1
71.52563	1.2
72.99310	10.6
81.03467	1.6
83.01385	7.7
87.00844	1.3
93.03463	1.9
95.01392	1.2
97.06560	1.9
109.02960	2.6
117.03469	12.8
119.05025	47.9
120.05402	2.1
120.99603	1.2
121.02938	2.5
122.03738	2.2
123.04517	2.7
125.09701	6.6
127.11305	1.4
132.02171	10.3
133.02954	1.6
134.03726	21.9
135.04524	24.9
137.02431	2.2
145.02953	54.3
146.03310	2.7
147.04517	1.1
149.06073	6.6
149.45398	1.2
150.03241	5.1
151.04013	1.6
160.01654	50.4
161.02248	3.9
163.04005	48.6
164.04305	3.4
165.05545	4.6
167.07121	1.5
167.10907	1.1
171.10283	4.3
175.03992	100.0
176.04349	4.6
179.03513	1.6
181.05057	86.4
182.05386	4.9
193.05025	16.3
201.11279	6.5
211.06100	35.3
211.08138	1.3
212.06517	2.4
222.68611	1.1
229.10922	2.9
251.12842	3.6
272.85510	1.3
303.15891	3.0
321.17096	2.1
321.93503	1.2
336.59332	1.3
345.26913	1.3
356.25153	1.5
357.09711	2.0
357.13474	8.6
357.17282	2.3
357.22827	3.9
357.26639	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	357.1192
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.04351	0.4
55.51929	0.3
55.58742	0.4
56.55055	0.3
59.01379	16.0
69.38070	1.1
69.38493	1.6
71.01376	1.0
72.99313	0.4
83.01397	0.7
90.07170	0.4
101.02402	0.5
106.35936	0.4
107.05122	0.4
108.02158	2.1
109.02955	8.4
110.34245	0.4
119.05013	1.9
121.02966	1.1
123.04525	5.1
124.01658	1.0
130.04042	0.4
130.08759	0.5
133.02962	1.0
134.03748	1.0
135.04535	10.0
136.05305	9.9
137.02527	0.5
137.05629	0.8
147.04494	0.8
150.03168	0.5
151.04016	2.6
151.07635	3.5
153.05554	2.4
159.04504	2.5
161.02449	1.0
175.03990	0.7
177.01936	0.5
177.05553	0.7
179.03482	1.4
187.35320	0.4
195.06622	100.0
196.06949	5.7
203.03526	2.5
241.04997	0.7
251.07227	0.5
269.08191	4.4
295.06039	0.6
313.07175	2.3
357.05930	2.4
357.12201	1.5
358.19958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09664	0.4
59.01373	1.8
62.56201	0.4
70.06831	1.3
71.01369	0.8
83.01400	0.4
85.02959	0.5
87.87179	0.4
93.03462	0.6
95.01351	0.5
95.05039	0.6
103.92049	0.4
108.02172	4.0
109.02956	2.3
121.02947	1.0
122.03754	0.7
123.04520	76.4
124.04858	3.8
135.04520	0.4
151.03963	0.5
152.01186	2.3
152.04774	0.6
153.02127	2.2
153.05568	100.0
154.05911	4.9
165.04057	0.6
173.04558	0.5
195.06523	0.6
297.09793	0.9
299.09802	0.4
313.06949	0.5
315.10806	0.6
336.62836	0.5
357.08118	1.7
357.12106	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	357.119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33897	0.3
59.01381	6.4
61.98830	0.5
69.03445	0.4
69.55552	2.4
71.01370	0.5
72.01952	0.4
75.19664	0.4
83.01398	0.6
86.22906	0.5
93.03394	0.4
95.05038	0.9
97.02950	1.0
101.02422	0.6
109.02939	2.3
121.02953	5.9
122.03784	0.9
123.04523	71.1
124.04836	2.4
133.02953	1.0
135.04486	1.1
145.06522	0.4
147.35847	0.3
151.04047	2.8
152.04796	4.3
153.05571	100.0
154.05911	4.9
159.04494	0.9
161.02470	0.6
165.05531	1.0
173.04590	0.4
193.05086	0.5
195.06639	8.4
201.33401	0.5
203.03261	0.5
219.06578	1.3
219.49481	0.4
269.08203	0.7
293.31711	0.5
297.09775	7.9
298.10062	0.7
313.06979	0.9
315.10849	5.9
316.11163	0.4
321.11136	0.4
354.03314	0.4
357.11990	2.1
376.96008	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23425	0.3
53.02375	0.3
57.22528	0.3
59.01390	0.4
65.29227	0.3
69.73107	1.5
69.73398	0.5
81.03479	0.3
91.41064	0.3
95.05030	0.7
122.03740	1.0
123.04522	63.4
124.04855	2.4
135.04488	0.3
153.05571	100.0
154.05899	5.5
162.23874	0.3
176.52596	0.2
195.06639	0.6
349.26260	0.3
357.11884	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	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	4.5
61.98803	1.0
66.02809	1.1
69.03434	2.1
69.34679	8.3
71.01376	3.4
71.05016	1.5
72.99303	2.5
75.67381	1.0
78.58762	1.0
80.02669	2.9
81.03492	1.2
83.01377	3.7
83.05041	1.6
85.06572	1.9
87.04519	2.4
93.03461	2.8
97.02933	2.5
97.06570	2.5
99.04523	1.6
108.02158	3.9
109.02929	2.5
109.06584	22.5
112.98526	1.1
113.06097	3.0
121.02956	1.3
121.06571	4.5
123.04519	1.5
123.08169	14.9
125.06074	2.3
125.09717	9.5
127.07652	1.4
127.11262	3.9
130.08698	1.2
133.02908	2.0
133.06609	1.4
135.04536	9.6
137.06070	12.0
137.09685	1.5
138.03178	3.4
139.07620	4.7
139.11241	2.6
141.05580	4.7
149.06071	2.4
151.04041	1.2
151.07619	2.9
153.09119	1.3
155.07094	2.9
155.10814	1.8
159.04643	1.3
161.02390	3.8
165.09090	1.2
165.76955	1.0
167.07126	100.0
168.07463	4.9
171.10263	41.0
172.10628	1.3
180.34969	1.1
183.04478	1.3
183.10126	1.8
185.08168	6.6
187.09639	1.8
199.09741	3.1
200.34793	1.1
201.11307	57.3
202.11679	2.5
211.09756	2.4
213.11247	2.2
217.10797	3.5
225.05573	1.7
229.10770	14.7
277.18176	2.1
293.17740	1.8
303.15967	7.2
313.07184	1.4
313.17606	2.1
321.17041	42.3
322.17313	5.1
339.18097	9.2
340.18469	1.6
357.06198	7.9
357.13452	3.1
357.19257	8.0
358.19244	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.3
59.01379	5.2
61.98816	1.0
71.00169	1.6
71.01366	4.8
72.99323	1.4
80.02643	1.8
81.03465	1.4
82.79461	1.1
83.01361	3.2
83.04977	1.9
85.02944	1.1
85.06596	2.0
87.04494	2.0
93.03442	2.9
95.04990	1.2
97.02931	2.1
97.06596	2.9
99.04521	1.7
107.04975	2.1
108.02148	3.6
109.06584	22.4
110.03717	1.4
111.08156	1.7
113.06045	3.3
113.98235	1.1
121.02840	1.5
121.06609	6.5
123.04537	1.6
123.08153	22.0
125.06050	3.6
125.08955	1.5
125.09731	15.7
127.11279	4.8
133.06593	1.3
135.04593	2.0
135.08145	2.0
137.06073	17.5
137.09727	2.9
138.03198	3.4
139.07657	8.0
139.11241	2.6
141.05571	6.3
149.06062	2.2
151.07649	4.2
155.07085	4.6
155.10747	2.1
165.09206	2.0
167.07130	90.8
168.07498	5.4
171.10248	33.8
183.10197	1.8
185.08234	6.3
187.09764	5.9
199.09741	3.2
201.11305	100.0
202.11629	5.9
209.11823	1.4
211.09737	2.8
213.11353	7.5
217.10788	3.7
229.10759	18.4
244.53703	1.1
251.16507	1.6
277.17966	2.8
285.14951	2.5
293.17615	2.5
303.16028	9.9
313.06808	1.2
321.17038	57.5
322.17343	5.5
339.18045	11.3
357.06192	1.3
357.13467	3.6
357.19077	13.8
358.19604	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.6
56.57932	0.5
57.03441	1.6
58.00586	1.3
59.01376	4.3
61.98832	1.8
65.91358	0.6
69.51334	3.9
69.65990	0.6
71.01376	1.6
71.05018	1.2
72.99316	1.4
73.02930	0.8
80.02641	0.7
81.03453	1.2
83.01388	3.8
85.02960	0.8
95.05019	1.1
97.06599	2.9
102.05584	1.9
105.07097	0.6
107.05032	1.6
109.02927	1.6
109.06582	6.6
109.48463	0.6
119.05016	1.2
121.06590	3.4
122.03706	1.0
123.04516	1.4
123.08157	3.3
125.06059	1.6
125.09718	19.7
126.10059	1.1
127.07658	1.6
127.11290	7.0
128.03519	2.1
133.02982	0.7
133.06595	1.3
134.03717	1.1
135.04536	1.5
137.02487	1.0
137.06062	2.6
137.09694	1.5
138.03279	0.6
139.07651	0.8
139.11223	0.9
145.02904	2.9
146.04619	1.0
147.04553	0.9
149.06076	2.1
151.07642	1.1
155.10786	2.7
161.02467	1.0
163.04002	0.9
165.09189	2.5
167.07124	9.5
167.10794	3.2
167.11923	0.6
171.10254	14.1
174.06810	0.6
175.03958	1.7
181.04962	1.0
183.10242	1.4
185.08231	1.9
187.09758	1.4
199.09789	3.5
201.11305	100.0
202.11656	7.2
210.11371	0.7
211.06134	1.4
211.09731	6.0
212.10167	1.0
213.11304	3.2
214.27501	0.7
215.12898	1.0
225.11287	0.8
229.10788	53.6
230.11150	3.0
251.12860	1.8
285.14966	4.5
303.16019	11.4
304.16418	1.2
321.17023	11.2
322.17450	1.0
339.18106	9.7
340.18228	1.1
357.13120	4.4
357.16315	1.2
357.23007	1.4
358.13705	0.9
358.18442	1.4
375.07156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.0
57.03442	1.2
59.01378	100.0
60.01717	1.2
61.98838	1.2
69.39962	4.8
69.40362	1.6
71.01376	6.9
73.02950	1.7
73.95918	0.7
83.01389	3.7
85.02943	3.5
89.02467	1.0
94.07816	0.7
101.02464	2.9
107.24777	0.7
109.02950	1.9
113.02471	2.9
121.02935	0.8
122.03738	2.0
123.04534	0.8
125.85596	0.7
143.24239	0.8
161.04530	3.9
163.17084	0.8
170.44879	0.7
171.10301	0.9
185.11786	0.8
199.13409	0.9
201.11357	2.5
250.37328	0.6
315.18118	2.0
327.25400	1.8
357.13342	3.6
357.22336	1.7
357.26459	19.9
358.26978	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
64.55750	1.4
66.98174	1.2
69.03460	2.6
70.52476	1.6
70.52834	3.8
71.01375	4.8
71.05038	1.3
80.02662	2.6
81.03458	3.6
83.05049	2.3
85.06559	1.3
87.04504	2.4
93.03442	5.2
97.02940	2.4
97.06580	5.0
99.04498	2.4
108.02196	3.6
109.06587	26.9
110.03764	1.6
111.04534	1.9
111.08097	1.4
113.06121	2.2
115.32115	1.5
121.06596	12.1
123.08155	33.0
125.06104	2.1
125.08847	1.8
125.09721	24.6
127.11255	7.8
129.88449	1.4
133.06606	2.6
134.03780	1.8
137.06076	23.1
137.09692	2.3
138.03204	5.0
138.06427	2.2
139.07611	7.1
139.11308	3.3
141.05614	6.6
149.06067	4.2
151.07628	7.6
151.11147	1.2
153.09187	1.8
155.07092	7.2
155.10786	3.9
165.09200	2.7
167.07132	90.8
167.10786	3.6
168.07457	4.5
171.10246	40.1
172.10588	3.3
179.07169	1.9
183.10178	2.2
185.08145	4.9
185.11781	2.8
187.09752	5.4
199.09747	4.8
201.11313	100.0
202.11606	6.0
211.09676	3.6
213.11322	6.2
215.12854	1.6
217.10744	5.4
229.10759	18.7
230.11143	1.7
246.13414	1.4
251.12682	3.3
272.33084	1.5
277.18149	2.5
285.14941	3.7
293.17465	4.2
293.20779	1.4
303.15967	18.4
321.17044	77.3
322.17307	8.7
323.77252	1.7
339.18188	10.0
340.18481	2.7
357.13281	2.9
357.19269	8.3
357.26437	4.0
368.63959	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.3
59.01376	10.5
61.98793	2.1
65.63173	1.3
67.88306	1.6
69.03446	2.9
69.04531	1.3
71.01370	5.0
71.52218	1.8
72.99298	3.4
75.00849	1.9
78.46225	1.2
78.95906	4.2
80.97260	1.4
81.03471	2.0
82.06334	1.2
83.01401	9.2
83.05045	2.3
85.02951	4.1
89.02446	12.1
90.34375	1.3
93.03427	2.1
95.05025	2.4
96.96961	8.1
97.02940	2.4
97.06584	3.3
99.04524	1.7
107.05026	1.9
108.02168	4.6
109.02940	3.8
109.06606	7.5
111.04533	3.6
111.08175	1.9
113.06123	2.1
119.04998	2.1
121.02911	3.4
121.06580	3.1
122.03711	3.8
123.04501	4.1
123.08163	4.3
125.09723	20.6
126.63570	1.4
127.04012	2.8
127.07664	1.7
127.11284	6.9
133.02905	4.1
133.06557	3.1
135.04500	6.7
136.05211	1.6
137.06050	2.4
137.09709	1.7
139.07722	1.6
141.05612	3.5
147.04509	1.2
150.72112	1.4
151.03867	1.6
151.07677	1.4
152.01083	3.1
153.09169	2.2
155.10777	3.7
161.02425	5.4
165.09192	3.9
167.07129	7.7
167.10762	3.6
169.12291	5.6
171.10263	29.2
172.92065	1.4
174.06795	2.1
179.03487	2.1
185.11765	2.9
187.09697	3.4
195.13828	3.0
197.04486	1.8
197.11755	3.3
199.09839	3.4
201.11314	100.0
202.11612	6.1
209.11798	5.3
211.09785	8.5
213.11230	3.8
215.12834	2.4
221.11778	1.7
223.13501	6.9
227.12753	1.6
229.10782	52.9
230.11087	3.8
241.10719	1.6
249.15022	2.9
251.12735	2.1
259.13364	1.8
267.12326	20.2
268.12784	1.9
277.14417	3.0
285.15219	8.3
303.12589	2.8
303.15976	14.1
304.16245	1.7
311.15002	7.8
321.17017	16.7
322.17368	2.0
339.14285	6.8
339.18085	10.5
339.25348	1.5
357.13217	9.8
357.19168	2.8
357.22916	1.6
357.26462	24.0
358.26718	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08256	1.1
59.01378	100.0
60.01716	1.2
61.98817	3.2
71.52101	1.6
73.38412	0.9
79.37422	0.9
79.79632	0.8
82.23114	1.1
83.01384	8.3
100.02900	1.0
102.98586	1.4
104.78439	1.0
109.02914	2.1
117.03502	1.0
121.02957	12.0
122.03791	1.4
125.09733	1.1
133.02957	2.1
134.03709	1.5
135.04494	3.5
137.06084	1.4
138.03137	1.0
151.00391	2.0
151.04036	1.7
155.10820	1.0
166.02730	1.5
196.16620	1.0
201.11293	1.4
209.11877	2.8
223.13351	3.9
231.10239	2.3
275.09219	6.7
294.30923	1.2
313.07181	1.4
357.06216	4.2
357.13315	9.7
357.19366	2.3
357.26422	10.7
358.13791	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01723	1.5
61.98830	0.9
62.73902	0.7
69.15794	4.2
69.16196	1.7
73.68398	0.7
83.01373	5.8
96.96043	0.9
103.05061	0.7
121.02941	7.3
122.03774	1.3
123.04565	1.1
135.04478	1.1
136.01726	0.9
137.06137	1.1
147.04500	1.3
151.03958	0.9
175.97739	0.9
201.11279	1.1
221.08263	0.9
223.13362	3.5
277.00955	0.6
300.88129	0.8
357.06247	2.1
357.13428	7.9
357.17313	1.3
357.26553	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	357.2642
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
57.03445	0.6
59.01381	3.6
59.46069	0.4
61.72475	0.4
69.27412	3.3
71.05016	0.5
83.01388	2.1
121.02953	47.2
121.10236	0.8
122.03207	2.3
125.09695	0.6
135.04503	1.9
136.01628	0.4
147.76361	0.4
161.02437	0.6
165.01939	0.4
171.10246	1.2
179.03487	1.2
180.05734	0.5
181.06593	2.8
185.11844	1.9
199.13394	3.9
201.11378	0.9
203.93947	0.4
215.12813	2.4
225.05621	2.5
256.05576	1.2
277.38507	0.4
297.24344	1.8
309.24405	1.7
313.07135	4.4
314.07547	0.8
321.16599	0.4
321.24319	0.5
325.23883	1.1
327.25354	16.1
328.25687	1.8
339.25375	2.7
355.25000	1.0
357.06161	18.0
357.13742	2.3
357.26434	100.0
358.06583	3.3
358.13748	0.6
358.26801	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2645
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.00644	0.3
57.03438	0.6
59.01371	0.7
69.03447	0.3
69.89687	0.2
71.51546	0.3
83.01417	0.4
85.02964	0.3
86.60281	0.3
120.40726	0.3
121.02974	0.4
139.11276	0.7
141.12810	0.8
142.16367	0.2
166.37825	0.3
185.11827	5.5
201.43813	0.3
207.95998	0.3
270.89896	0.2
297.24323	2.2
309.24268	1.7
321.24307	0.7
325.23679	1.2
327.25381	20.4
328.25659	1.8
339.25351	4.0
340.25397	0.3
355.25024	1.3
356.25058	0.3
357.26431	100.0
358.26782	12.6
365.98306	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20512	0.3
57.03437	0.8
60.67521	0.4
70.77060	0.8
83.01366	0.8
98.20726	0.4
121.02884	0.4
121.10217	1.5
125.41319	0.4
139.11307	0.5
155.14444	0.5
190.24126	0.4
199.13391	5.7
200.13684	0.5
267.23129	0.4
277.45905	0.3
297.24341	2.2
309.24362	0.6
311.22278	1.5
325.23862	0.9
327.25381	13.0
328.25708	1.6
339.25412	2.9
340.25699	0.4
351.30615	0.4
355.24805	0.6
357.26428	100.0
358.26764	13.4
358.30194	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.06104	1.6
61.98830	100.0
64.31275	1.6
69.47810	2.3
69.48220	8.9
82.32416	1.6
83.01371	2.4
83.32607	1.5
87.96775	1.6
98.20618	2.9
123.01050	1.7
205.19096	1.6
217.43112	1.6
358.13617	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	358.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19883	3.2
61.98826	100.0
71.52728	8.0
83.01333	4.2
104.41103	3.2
104.41834	3.7
110.91624	4.1
219.20224	3.6
274.19333	3.9
358.13556	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	359.0983
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01389	0.7
70.56980	1.6
70.57355	1.6
72.99306	72.8
89.73174	0.7
98.20528	0.9
109.02936	2.3
111.01964	0.8
123.04529	29.8
124.04892	1.5
134.03763	1.4
135.04520	43.9
136.04878	2.7
151.03998	2.9
153.05580	1.8
161.23640	0.7
161.35493	0.7
166.83519	0.7
177.03583	0.8
179.03490	50.1
180.03827	2.6
194.51285	1.0
197.04539	100.0
198.04878	4.6
359.09818	93.0
360.10120	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.163
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27924	10.7
59.01371	35.6
61.98819	27.2
67.46420	9.4
69.76939	10.6
69.96994	41.2
72.99296	18.0
73.54263	9.8
74.59981	8.8
81.03461	10.8
88.61943	10.8
95.88536	9.1
98.20544	17.9
108.02187	26.7
109.06606	15.1
121.06576	19.3
123.04524	13.5
125.66189	11.7
133.02948	24.0
135.04558	11.2
139.11214	12.4
161.02461	86.2
171.10249	24.4
179.03484	14.4
197.04573	23.4
199.13428	100.0
209.11916	10.6
217.10857	52.9
233.11737	35.4
242.92810	10.2
251.12894	69.5
283.16852	11.9
287.16440	29.4
297.73111	11.2
305.17578	62.6
321.17218	14.0
323.18613	20.5
324.18851	10.6
359.14767	16.1
359.18604	22.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68845	0.7
51.08838	0.8
57.03447	0.9
57.82132	0.8
58.00578	1.2
59.01369	7.8
61.98838	1.5
63.22997	0.7
69.03447	1.1
70.04357	2.4
71.01383	17.1
71.05021	9.0
72.99309	14.0
73.59496	0.8
73.72836	0.8
74.02433	0.8
81.03465	1.0
83.05019	1.5
84.02160	1.0
85.02945	2.2
89.02410	1.1
91.05518	2.0
93.07092	8.6
95.05016	2.8
96.46333	0.8
96.96020	1.0
97.02933	1.1
97.06581	8.8
99.04499	1.5
105.03516	0.8
105.07052	1.6
107.05038	1.8
109.02913	4.4
109.06590	1.4
113.06083	8.1
119.04990	2.1
121.02993	2.0
121.06593	2.3
123.04526	6.6
123.08132	3.8
125.06097	6.0
125.09766	4.4
127.11295	6.6
132.04617	1.4
133.02948	14.0
133.06590	4.1
134.03604	0.9
135.04521	20.5
135.08110	0.8
136.04855	1.6
137.09689	2.0
139.11304	1.5
141.09218	1.1
143.07167	5.2
145.02939	1.3
147.04570	0.8
149.06032	1.3
151.04022	1.2
151.07640	18.4
151.11186	0.8
152.08018	1.1
155.10751	2.2
157.08696	1.0
161.02438	53.9
162.02818	2.7
163.03990	2.2
165.09203	2.1
169.07491	0.9
169.08742	5.4
169.09941	0.7
171.10265	79.7
172.10582	4.8
177.01924	1.0
179.03496	11.0
181.05072	2.0
183.10329	1.7
187.09761	1.4
190.05095	1.4
195.10213	1.1
197.04541	13.1
197.11867	1.5
198.04979	0.9
199.09698	2.9
201.11314	100.0
202.11635	6.7
209.11771	2.5
213.11314	7.9
234.03902	0.8
238.05931	0.9
239.12843	0.9
253.14490	1.4
255.06580	1.1
261.14954	3.8
271.15558	1.9
277.17932	1.0
279.16025	2.7
283.06097	1.6
287.16571	4.6
297.17197	1.0
305.17572	30.1
306.17905	3.3
316.29294	0.7
323.18582	10.6
339.05124	0.9
340.68555	0.9
341.19617	13.1
342.19852	1.3
359.07938	9.5
359.16144	1.5
359.20728	32.6
360.07947	1.0
360.21140	2.6
369.28342	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.9
59.01376	10.8
60.08813	1.0
60.32393	1.1
69.03464	1.4
70.84643	2.7
71.01383	17.6
71.05019	13.8
72.99302	11.2
73.02948	2.6
81.03448	1.8
83.05022	3.4
85.02960	3.1
91.05581	2.2
92.97917	1.1
93.03463	1.8
93.07102	14.5
95.05033	1.4
96.96024	3.4
97.06593	10.0
99.04507	2.4
107.05006	1.1
109.02946	2.6
109.06623	2.1
113.06062	7.1
119.05013	3.5
121.02911	2.9
121.06606	3.7
123.04517	3.8
123.08147	4.6
124.07655	1.4
125.06050	7.2
125.09709	10.7
127.11275	7.0
132.04497	1.6
133.02969	6.5
133.06548	6.0
134.03786	1.3
135.04514	17.5
139.11259	2.4
141.09218	2.0
143.07098	10.8
145.02934	1.4
146.06099	4.6
148.07668	1.8
149.06100	2.1
150.09334	2.6
151.07645	23.1
155.10764	3.2
161.02437	24.9
163.03993	2.8
165.09178	2.1
169.08693	8.5
171.10272	100.0
172.10605	5.6
176.03456	1.5
179.03508	8.5
180.03767	1.3
181.05092	5.9
183.10320	1.4
185.02425	1.5
187.09712	1.4
187.44087	1.2
190.05119	4.0
197.04524	10.0
197.11830	1.6
199.09796	2.2
201.11322	98.1
202.11694	4.3
209.11784	2.4
213.09344	1.6
213.11288	8.1
215.12903	2.5
223.07709	1.6
223.13341	3.8
239.12862	1.4
241.09813	2.5
241.14482	2.4
243.11412	8.0
243.17549	2.1
244.11488	1.3
255.42728	1.4
261.14926	7.6
271.14539	3.2
277.18066	2.6
279.15863	5.7
287.14069	1.4
287.16599	10.8
297.17175	1.5
305.17572	52.3
306.18130	7.4
315.10074	1.0
315.13464	24.1
316.13831	2.8
322.04462	1.4
323.18591	14.2
324.18881	1.9
341.19623	17.0
342.20081	1.7
359.08157	1.6
359.12585	11.6
359.20740	52.1
360.21100	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	359.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.0
58.00603	1.4
59.01380	10.3
69.18078	10.9
71.01385	20.6
71.05017	10.9
72.99308	17.9
73.02983	1.8
81.03458	1.7
83.05035	2.3
85.02954	4.2
90.28848	1.1
91.05527	1.3
93.07093	20.3
95.05020	2.5
96.96033	2.0
97.06590	11.1
99.08125	1.2
105.07116	1.9
107.04979	1.4
108.49836	1.4
109.02958	4.6
111.41902	1.2
113.06091	5.2
119.05019	1.9
121.02943	2.3
121.06602	4.9
122.06062	1.3
123.04546	9.5
123.08166	4.9
124.07736	1.5
125.06086	8.8
125.09725	10.5
127.11300	5.7
133.02960	9.0
133.06622	5.6
135.04521	27.4
136.04832	3.8
139.07623	2.0
139.11298	2.1
141.09215	1.9
141.81058	1.4
143.07126	8.5
146.06131	6.1
148.07722	2.6
149.06068	1.7
150.09180	4.5
151.07625	21.2
155.10796	2.7
161.02440	53.3
162.02774	3.2
163.04083	2.8
165.09126	1.3
169.08618	7.2
171.10265	96.9
172.10605	4.3
176.03540	1.4
179.03514	13.5
180.03807	2.0
181.05061	4.8
183.10168	1.4
185.02382	1.4
190.05112	3.3
197.04512	21.8
197.06195	1.7
198.04854	2.4
199.09772	2.3
201.11313	100.0
202.11638	5.5
213.11278	7.8
215.11845	1.7
217.05115	1.2
223.13445	3.4
227.08478	1.3
239.12872	2.6
241.14462	3.4
241.35930	1.3
243.11316	8.7
243.15012	1.7
243.17387	2.7
248.19208	1.4
253.14586	1.4
261.14972	6.6
269.17783	1.3
271.14621	4.9
277.05057	1.8
277.18091	2.8
279.16028	4.8
287.13953	1.7
287.16626	10.7
295.05969	1.4
305.17566	55.6
306.17889	6.4
315.13498	33.2
316.13675	1.7
321.04074	3.5
322.04285	4.3
323.18591	14.5
339.05087	2.3
341.19571	15.5
359.07758	5.4
359.12442	13.6
359.16238	2.2
359.20712	36.5
360.21063	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	359.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	21.3
76.19833	0.5
76.32745	0.6
94.67273	0.5
96.89842	0.5
136.46538	0.6
244.17923	0.6
277.21701	100.0
278.22043	10.6
359.22009	22.3
360.22293	2.9
361.40930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.28
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01371	0.5
63.52828	0.1
69.03436	0.3
69.52338	0.9
72.99303	0.2
81.48354	0.1
89.31526	0.1
111.86594	0.1
113.45398	0.1
123.04546	0.2
123.08116	0.2
127.11256	0.4
133.02991	0.2
135.04491	0.5
137.09711	0.3
141.12839	0.3
143.37399	0.2
147.05527	0.1
151.04034	0.2
155.14392	0.2
157.12364	0.2
161.02432	1.8
175.20747	0.1
179.03488	0.3
185.11833	0.4
197.04512	0.4
201.14917	0.3
267.23328	0.2
269.25131	0.2
271.22794	0.2
295.22922	0.5
311.22241	0.4
311.25919	1.3
313.23834	7.1
314.24252	0.8
323.25726	0.2
325.23962	0.3
341.26953	1.5
342.27426	0.2
357.26413	1.1
358.26245	0.2
359.28003	100.0
360.28345	12.2
360.33130	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71479	0.3
56.23584	0.3
57.03432	1.2
59.01374	0.9
61.98804	0.9
69.42294	2.2
71.04993	0.4
74.38693	0.3
75.04576	0.3
78.37183	0.3
78.73616	0.3
98.19902	0.7
113.09708	0.8
123.08226	0.3
125.09711	0.4
133.02921	0.4
135.04556	0.5
137.09790	0.3
141.12843	0.5
155.36211	0.3
161.02386	1.7
171.10280	3.2
179.03506	0.5
185.11800	1.0
201.11288	0.4
215.12842	1.2
283.17053	0.4
287.16400	0.4
295.22775	0.5
297.20645	1.3
305.17276	0.4
311.22324	0.5
311.25787	0.7
313.23819	5.3
314.24112	0.8
315.19672	0.7
325.23663	0.3
339.25452	0.5
341.26727	1.6
357.26349	0.9
359.18906	2.9
359.28000	100.0
360.23734	0.7
360.28339	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	360.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24073	0.3
59.01379	1.7
61.98841	1.7
70.03010	0.3
71.01381	3.8
71.51663	0.4
72.00903	0.5
72.99307	0.7
75.36379	0.2
76.98759	0.2
85.02974	0.3
88.04037	26.4
89.04349	0.6
89.09657	0.2
96.96014	0.5
101.02442	0.8
114.01965	2.7
115.00372	8.9
115.03973	0.3
116.00669	0.4
119.05017	0.4
120.99611	0.4
122.06119	0.3
123.04520	0.4
130.08713	0.4
131.04564	0.4
132.03023	100.0
133.03455	2.3
134.06160	0.5
135.04521	2.5
136.04871	0.9
138.38438	0.3
139.77350	0.2
155.79431	0.3
161.02438	2.7
162.02774	1.1
162.05626	0.9
171.10286	0.4
173.04591	0.6
178.02715	0.3
179.03429	0.6
180.03772	0.3
181.05072	0.8
197.04440	0.8
198.04910	0.4
209.11772	0.5
214.15834	0.2
219.59669	0.3
223.25089	0.3
253.29446	0.3
285.12363	0.3
317.11426	0.3
317.14975	0.8
329.11560	0.3
359.07587	0.3
360.16620	3.1
361.14716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1655
Annotation	Humirianthol
Peak:m/z	Relative Intensity
55.58138	0.3
57.03464	1.5
57.42074	0.3
59.01378	4.3
61.98819	1.2
69.21778	1.5
69.22202	1.2
71.04990	0.4
77.37508	0.3
83.05058	0.7
85.15839	0.3
91.22066	0.3
97.06555	0.5
112.13473	0.3
121.06622	0.8
123.08133	1.7
133.06543	0.4
134.07368	1.2
135.04495	0.6
194.44977	0.3
209.11794	1.3
211.14755	0.4
213.12830	2.4
219.11871	0.4
225.12979	0.4
227.12738	0.5
235.14984	0.8
236.03369	0.3
237.12764	1.3
239.14409	0.8
251.14368	2.8
252.14848	0.3
253.15958	19.7
254.16296	1.9
255.17461	1.3
267.13904	0.5
271.16956	6.6
272.17392	1.0
273.18655	0.6
299.16516	1.4
301.16345	0.3
314.27374	0.3
315.15979	24.6
316.16342	3.2
317.17557	1.3
361.16531	100.0
362.16901	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	361.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76207	0.5
57.03435	0.8
57.55472	0.5
59.01376	99.3
60.01704	1.1
61.98821	0.6
69.49603	3.6
71.01392	2.2
73.02945	0.8
78.96679	0.6
80.72649	0.5
83.05020	2.4
85.02950	1.0
87.00881	0.5
89.02450	1.3
95.05045	0.6
101.02450	0.7
113.02499	0.5
136.52805	0.6
152.59818	0.5
163.11256	1.9
163.69884	0.5
165.12820	1.3
177.46367	0.6
181.12387	0.6
191.10693	0.7
199.13341	1.4
202.93590	0.5
209.11810	100.0
210.12190	8.8
217.10997	0.7
227.12863	5.5
230.11674	0.6
255.11423	1.1
274.10788	2.3
319.17462	1.5
323.30670	0.6
361.10202	1.1
361.18372	6.9
361.22464	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	361.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50161	0.6
59.01377	41.7
59.08238	0.6
61.98821	1.3
69.15861	6.7
71.01358	1.3
73.02938	1.0
83.05014	1.2
85.02953	0.9
87.99342	0.6
89.02400	0.6
93.26958	0.6
97.06579	1.3
99.08141	0.8
101.02480	0.8
109.06594	1.9
111.08119	0.9
125.09697	2.1
127.11283	2.6
132.08371	0.7
143.10722	1.7
155.10759	1.7
163.59521	0.6
165.12851	0.9
165.49983	0.7
171.10286	5.8
173.82335	0.7
200.10429	0.7
201.11305	3.2
209.11813	28.4
209.13817	1.5
210.12140	2.0
227.12891	1.9
237.18497	0.9
263.20078	1.3
265.18118	1.1
271.17123	1.1
277.29718	0.6
281.17572	4.6
281.21188	3.1
283.19171	4.6
297.20724	2.1
299.18839	1.3
299.22238	17.6
300.22644	2.1
301.20181	60.3
302.20551	5.9
319.17828	0.8
325.20157	1.2
343.21234	8.5
361.22290	100.0
362.22672	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	361.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95690	0.7
54.48389	0.7
59.01377	41.7
69.15727	6.5
71.01376	1.0
73.02924	1.0
80.11154	0.7
97.06573	1.8
99.08105	1.0
101.56474	0.7
102.06071	0.6
105.50402	0.6
107.24161	0.6
109.06576	2.0
111.08173	1.1
112.49657	0.7
125.09683	1.4
127.11270	2.6
139.95518	0.8
143.10745	0.9
152.00124	0.7
155.10744	1.6
157.12315	0.7
171.10294	5.9
200.10498	1.6
201.11301	3.2
201.86777	0.6
209.11804	27.7
210.11971	0.9
219.17404	0.9
227.12863	1.0
263.16550	0.9
263.20486	0.7
265.18018	1.5
271.17020	1.1
281.17578	4.1
281.21210	3.3
283.19104	6.0
285.19504	0.7
297.20758	3.1
299.19019	1.2
299.22229	16.4
300.22656	2.9
301.20160	60.2
302.20493	6.2
319.17575	1.5
325.20248	2.0
343.21188	5.9
361.22281	100.0
362.18387	1.0
362.22650	10.8
362.26767	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.2
61.98822	1.1
62.50883	0.7
69.90040	3.5
84.28880	0.7
87.00849	0.9
113.97867	0.8
120.94455	0.7
122.16933	0.9
126.85294	0.9
232.81445	0.8
279.23282	100.0
280.23621	12.0
361.15359	6.6
361.23584	23.4
362.15237	1.0
362.23987	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	361.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55224	0.9
59.01378	100.0
60.01700	1.5
61.99732	0.9
70.53212	1.7
70.53544	2.3
78.60136	1.0
89.21391	1.0
145.26588	1.0
160.06358	1.0
213.22157	1.1
301.16528	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	362.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91602	0.8
59.01377	100.0
60.01710	1.4
61.98830	5.8
71.01381	2.4
71.51111	1.1
85.02955	1.5
88.04040	3.7
89.02431	1.2
93.03490	1.3
96.96022	4.0
101.02429	2.5
109.46361	0.9
111.00826	0.8
113.02397	1.2
119.05013	2.2
119.08752	0.9
119.19672	0.8
123.03320	1.1
135.04524	1.7
136.07607	0.8
138.05603	2.5
140.07178	72.9
141.07532	3.9
161.04529	1.3
163.03972	2.2
173.04543	1.4
174.01624	2.0
177.01909	2.0
191.05623	1.1
227.08203	1.2
242.10533	1.7
243.13486	3.1
257.12985	6.9
275.03848	2.0
302.12582	2.5
363.11612	1.1
363.16809	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	362.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84798	2.2
59.01360	2.3
61.98831	100.0
64.56519	2.5
69.56218	13.0
69.56622	4.9
70.77855	2.3
73.45032	2.1
80.39969	2.4
86.05230	2.1
97.48021	2.6
98.20142	8.8
98.20734	3.6
113.69724	2.6
181.64984	2.3
195.93997	3.3
195.95761	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	363.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
59.01381	27.9
61.98832	2.4
65.99851	2.5
68.99799	1.1
69.03461	1.5
71.01380	10.4
71.51780	1.4
72.70588	1.2
72.99312	1.8
73.02524	1.4
73.02917	2.5
74.55221	1.2
74.99094	2.2
75.00871	6.4
75.83561	1.2
79.95728	1.3
82.02980	38.2
83.01394	5.4
83.03310	1.5
85.02955	8.6
86.72989	1.2
87.00887	3.9
89.02459	3.4
93.03456	2.0
94.02980	2.9
95.01393	2.4
99.00897	4.2
101.02435	5.1
111.36481	1.4
113.02473	8.5
113.06074	11.1
119.03506	1.3
120.99630	2.1
122.02510	2.0
122.06103	3.8
130.31445	1.3
135.03004	5.4
135.04475	6.9
136.04051	30.9
136.07614	2.2
138.05612	1.5
160.07651	1.5
161.04552	1.4
161.07193	1.5
163.11440	1.5
164.03542	45.5
165.03951	2.3
171.10222	1.9
171.12878	1.4
173.04611	1.7
176.07169	2.1
179.03456	2.3
179.93015	1.2
180.02939	1.5
182.04607	1.9
184.14603	1.4
188.07259	1.8
191.05670	1.3
194.04578	24.6
195.05281	5.5
196.06154	30.9
197.06560	1.6
201.11378	6.8
202.08690	1.5
204.06744	2.4
209.11858	3.0
217.06160	1.8
225.11458	2.4
229.06131	1.6
231.07738	4.2
244.09818	8.0
245.09392	5.0
249.06163	7.8
255.05357	1.9
258.06308	2.1
259.07144	3.4
259.10825	1.8
267.07220	13.1
269.09332	1.7
270.07629	6.6
271.07315	4.1
287.10349	100.0
288.10724	10.1
313.08368	3.1
317.16547	2.7
319.13016	2.3
321.15009	1.4
331.09317	48.7
332.09729	6.7
363.12579	18.8
363.17664	17.9
363.23911	3.1
364.12982	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	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57330	1.0
57.03439	1.8
57.60970	0.9
59.01077	1.1
59.01377	22.3
59.34737	1.3
61.98821	2.9
65.99825	1.6
71.01379	7.5
71.52095	1.4
72.99294	1.7
73.02943	1.8
74.99105	2.8
75.00877	4.8
82.02979	40.1
83.01391	3.5
85.02937	5.8
87.00871	3.4
89.02447	3.3
92.05051	1.4
94.02995	2.3
95.01421	1.2
99.00893	4.5
101.02435	3.8
106.03040	1.0
108.04526	1.2
113.02434	7.7
113.06090	6.3
114.29824	0.9
114.76202	1.0
117.01951	1.8
120.04559	1.7
120.38410	1.0
122.02502	2.2
122.06123	5.0
134.42355	1.0
135.03000	3.1
135.04506	3.9
136.04037	29.9
136.07639	3.0
136.99142	1.8
137.04437	1.1
141.09145	1.2
141.33455	0.9
152.03549	1.7
161.04524	1.7
161.07175	1.8
164.03519	46.1
165.03844	1.7
171.10294	1.5
171.58087	0.9
173.06023	1.2
176.04825	1.0
176.07167	1.6
177.10367	1.7
178.08665	1.3
179.03528	1.6
180.02960	1.1
181.02193	1.0
182.04532	1.6
188.07109	2.0
191.07033	1.6
194.02913	1.9
194.04579	22.8
195.05373	7.9
196.04393	2.1
196.06128	29.4
197.06407	2.0
200.07068	1.2
201.11316	5.4
202.08766	4.1
204.06628	2.2
207.10156	1.4
209.11778	4.0
210.11951	1.1
217.06129	1.5
225.11359	1.2
227.08217	1.6
229.06053	1.7
231.07675	2.8
231.35870	0.9
241.15967	1.2
243.04004	1.0
244.09856	5.4
245.09383	5.3
245.13918	1.2
248.09624	1.2
249.06175	5.0
253.15816	1.2
256.05011	1.1
257.05582	1.6
258.06406	2.6
259.07220	2.5
259.10870	3.1
267.07196	10.9
269.09232	1.7
270.07626	4.0
271.07346	4.5
271.17123	1.5
272.07822	1.7
287.10349	100.0
288.10709	12.6
291.09778	2.9
301.11798	1.1
303.14481	1.3
313.08313	2.5
319.12747	2.1
331.09323	49.3
332.09653	4.9
333.17087	1.7
363.12378	13.9
363.17499	19.3
363.23871	5.2
364.18149	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	363.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73872	0.5
52.97709	0.6
59.01381	4.6
61.98817	1.8
71.01387	1.8
71.50932	0.9
72.99285	0.7
73.02927	0.9
83.01354	0.6
85.02956	0.7
89.02451	1.1
89.25061	0.5
95.05029	1.1
96.96004	1.5
101.02440	1.3
105.37270	0.5
108.04557	5.4
113.02484	0.9
121.05297	2.3
122.06116	0.6
123.03278	9.9
134.06172	0.7
135.03119	0.7
135.04439	0.7
136.07678	20.1
137.08022	0.7
138.05605	46.9
139.05949	1.7
146.06166	0.7
161.04565	0.6
179.03387	0.5
179.38234	0.5
180.06546	0.6
182.04547	3.3
182.77948	0.8
183.10258	2.2
184.07658	1.0
199.10115	0.9
200.05956	1.3
201.11290	2.2
209.11803	1.3
212.05846	2.2
213.06680	0.7
214.12538	3.0
214.15479	0.6
215.08276	0.7
227.08241	17.4
228.08612	1.2
241.09770	1.0
242.10597	17.3
243.10872	1.4
257.12936	100.0
258.13284	10.2
301.11722	1.0
335.82867	0.6
344.46149	0.6
345.10861	15.7
346.11163	1.7
363.11868	2.8
363.17032	12.4
364.17505	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1297
Annotation	Pyridaben
Peak:m/z	Relative Intensity
50.63233	1.1
52.56396	1.1
53.72674	1.1
57.03441	5.7
59.01374	33.3
61.98814	3.7
67.01878	1.4
68.99799	1.7
69.96099	6.1
71.01376	27.5
72.99291	7.6
73.02937	5.4
74.79974	1.2
74.92342	1.2
75.00868	26.8
83.05023	3.4
84.80476	1.2
85.02940	29.0
87.00870	16.3
89.02433	10.0
90.64700	1.4
91.04108	1.3
93.03448	1.5
94.09684	1.2
95.01401	8.6
96.96008	5.7
99.00882	13.6
101.02428	3.9
103.00378	3.9
105.07063	1.4
109.02972	1.6
110.54964	1.3
113.02451	40.7
113.03244	2.0
113.06080	50.7
114.02774	2.0
114.06410	1.9
115.00354	2.7
117.01927	5.0
120.99661	2.2
123.03256	2.1
129.01952	3.5
135.04556	3.2
136.07684	3.5
137.13428	1.3
138.05630	6.6
145.05014	2.1
146.08240	1.7
149.04378	1.1
150.03259	1.8
157.01413	2.2
161.02444	2.1
161.04472	1.3
163.03986	1.5
165.05487	2.2
171.10167	1.6
173.04543	2.8
174.07722	1.6
175.02444	3.3
176.66573	1.3
183.10207	1.8
189.03954	1.4
193.03358	1.4
201.11292	6.3
205.07138	2.4
209.11852	2.1
214.33865	1.2
219.08719	2.0
231.05057	2.9
249.06114	39.5
250.06389	2.3
257.13000	3.0
267.07187	42.0
268.07529	2.9
286.61688	1.2
303.10678	1.5
345.11847	1.7
363.12927	100.0
363.17377	14.2
364.13177	9.1
364.17285	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	363.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.8
59.01074	1.9
59.01373	33.0
61.98809	2.4
62.25626	1.4
67.01862	1.9
68.99786	1.8
69.30383	7.3
69.30807	2.6
71.01382	32.2
72.99299	7.2
73.02937	3.8
75.00871	30.1
82.02970	2.6
83.01349	2.4
84.07480	1.2
85.02947	39.7
85.03466	1.9
87.00885	13.7
89.02435	10.6
91.03959	1.5
95.01369	9.4
95.05051	1.6
96.95972	1.4
99.00891	14.8
101.02439	3.6
103.00380	5.2
106.29393	1.2
113.02447	46.3
113.06086	55.5
114.02755	1.9
115.00386	1.7
117.01933	5.7
120.99667	7.8
122.06134	1.5
126.67650	1.3
129.01947	2.5
135.02977	2.4
135.04494	5.3
136.03995	1.5
136.07619	1.3
157.01466	1.3
161.02379	1.9
164.03482	2.4
173.04538	3.4
175.02466	3.7
179.03555	2.4
194.04613	2.0
196.06094	1.7
201.11296	7.3
205.07127	4.4
209.11766	6.5
223.08231	2.1
227.12978	1.4
231.05144	2.0
249.06125	36.8
250.06441	2.7
267.07196	75.5
268.07614	3.5
284.96750	1.3
287.10309	8.0
303.10794	2.5
303.14206	1.2
331.09253	4.1
345.11728	2.3
361.91385	1.3
363.12918	100.0
363.17004	9.3
364.13321	11.2
364.17316	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98836	6.6
70.47358	3.9
71.01386	12.0
71.59859	1.8
72.99290	4.6
73.02950	2.8
78.39011	2.0
83.01372	2.7
85.02962	3.2
87.00899	2.5
88.31535	1.7
89.02441	6.4
96.95992	3.6
99.00875	7.2
101.02437	8.3
112.98784	7.3
115.00388	3.0
117.01930	3.8
119.03507	2.7
119.05034	4.0
121.06561	2.6
123.04499	1.9
128.03561	2.3
135.04478	5.3
137.06053	2.2
144.01389	2.2
147.04504	4.3
149.05960	2.4
153.05551	7.8
163.04105	4.8
164.07124	2.4
165.05540	8.6
167.07147	9.2
171.06415	1.9
173.00949	11.8
173.04498	3.9
174.01689	85.6
175.02374	8.0
176.03485	1.9
178.05150	2.7
179.03580	2.8
183.10201	2.1
183.87033	2.3
195.71547	1.9
201.11322	2.5
211.06055	15.1
220.88753	2.1
243.13295	2.0
258.11774	1.9
271.08200	19.1
299.19629	1.9
327.10883	6.2
334.10483	6.5
346.14066	3.0
363.12256	3.3
363.16415	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	363.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68705	0.4
59.01378	100.0
60.01711	1.4
67.81911	0.5
71.01388	0.6
75.00883	0.8
79.18066	0.4
83.02894	0.4
87.00877	0.5
89.02491	0.4
96.95983	0.4
98.19942	1.0
120.99675	0.7
133.20949	0.4
135.03014	2.5
135.04478	0.6
165.52710	0.4
201.11444	1.0
209.11931	1.2
259.67593	0.4
275.09290	0.6
303.14810	0.6
363.18466	2.7
363.23663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	0.8
61.88511	0.6
61.98831	1.9
63.76776	0.6
70.69386	0.6
71.01362	3.3
71.52145	1.0
72.99274	1.6
73.02952	2.8
75.00878	0.9
85.02955	1.8
89.02451	0.9
93.26022	0.6
96.96031	1.4
97.06599	0.9
101.02431	3.2
105.01260	0.5
105.01926	13.8
113.02436	1.4
118.25443	0.6
121.02934	0.8
122.06120	0.8
134.04727	1.6
135.04549	1.2
139.11290	3.1
161.04555	0.9
172.05299	1.1
173.04578	0.7
187.07637	6.7
190.32086	0.6
199.03940	0.8
201.11331	5.5
209.11885	0.9
215.07103	1.4
215.12822	0.8
227.03415	0.8
231.10184	0.6
257.08188	7.1
275.09247	1.3
301.18158	2.7
304.11877	1.3
319.19217	1.4
322.12982	1.4
363.18140	27.3
363.22836	1.4
364.18515	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	363.1812
Annotation	Xerophilusin C
Peak:m/z	Relative Intensity
59.01372	4.1
60.99291	0.4
61.98828	4.7
63.84040	0.3
65.90099	0.4
71.01384	0.5
72.99294	2.3
75.00862	0.4
77.13342	0.3
83.05013	0.9
87.00858	0.4
99.55135	0.3
105.03466	0.4
123.08150	0.8
133.02946	0.4
134.03711	1.0
135.04462	0.6
143.03052	0.3
156.00671	0.4
167.41113	0.3
211.12529	0.4
215.88025	0.4
222.70352	0.3
226.85797	0.4
231.10170	0.6
237.12859	0.5
239.17984	0.5
253.15959	1.2
255.17586	2.0
257.19092	1.3
269.15311	0.7
271.17068	1.2
275.09198	1.0
283.17050	2.9
289.18369	0.4
301.18060	5.9
302.18423	0.8
303.20905	0.6
315.15985	1.3
317.17545	1.5
319.19199	1.0
333.16983	2.0
345.17105	4.2
346.17480	0.6
363.18112	100.0
364.18436	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	364.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98829	30.6
62.12581	0.5
71.01367	0.7
71.50584	0.7
78.95903	50.8
96.96059	8.5
96.96960	100.0
98.02493	0.7
113.92606	0.5
134.04712	1.1
155.94576	0.5
167.03394	0.6
184.06155	0.8
244.03690	0.8
274.00052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.98827	100.0
70.24185	1.0
70.24536	0.7
71.01385	0.4
76.85239	0.3
78.95899	2.5
96.95998	0.8
96.96966	3.9
98.20031	0.5
103.37315	0.4
108.02203	0.5
139.03992	2.3
143.33936	0.4
152.01175	0.6
167.03545	1.1
301.09348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66452	0.3
59.01367	0.9
61.98830	100.0
69.25228	2.0
69.25656	1.2
88.98815	0.4
107.46088	0.4
134.70625	0.4
135.04533	1.5
179.03493	0.7
265.80557	0.4
365.19891	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	364.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56404	0.3
59.01378	11.0
61.98829	100.0
67.37869	0.3
70.35774	1.2
73.65799	0.3
118.21568	0.5
120.05662	0.4
120.47933	0.3
134.04732	0.7
135.04535	0.5
179.03537	0.4
273.58273	0.3
277.97815	0.3
321.20773	0.5
342.51761	0.4
365.19791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01703	8.1
61.98829	82.5
70.70822	11.6
74.24607	4.7
94.68727	4.3
183.24440	4.1
193.48416	4.6
206.26302	4.1
219.06902	11.8
220.07097	16.6
288.13452	9.3
299.69165	4.7
302.16824	6.1
303.16559	13.3
304.16586	90.1
305.16516	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	364.9972
Annotation	Kaempferol 3-O-sulfate
Peak:m/z	Relative Intensity
59.01381	6.6
61.98832	2.7
65.00325	0.4
67.01891	0.4
68.99809	0.5
70.49857	0.4
71.01380	0.7
71.51466	0.6
72.99315	1.9
79.95757	0.4
83.01390	0.6
83.05040	0.6
85.02972	0.4
93.03466	2.7
101.02463	0.5
106.04278	0.6
107.01403	1.9
107.05035	0.7
109.02962	1.6
109.48276	0.4
117.03524	0.5
119.05041	1.3
121.02976	1.0
123.04545	0.5
125.46984	0.5
131.05005	0.7
133.02931	1.1
134.03642	0.6
135.00954	0.9
135.04521	3.8
137.02409	0.6
143.05028	1.3
145.02945	0.8
145.06610	0.6
151.07588	0.4
153.01970	0.5
154.04285	0.4
155.05022	0.6
157.06573	1.6
159.04521	1.8
161.02449	1.6
163.00342	2.6
165.01930	0.7
167.05054	0.8
169.06628	0.9
171.04504	0.8
177.12837	1.1
179.03554	0.7
181.05055	0.5
183.04507	0.5
185.06064	3.2
187.03963	3.6
188.08368	0.5
189.05588	1.5
193.05049	0.6
195.04443	0.9
197.04454	0.6
197.06100	1.6
199.04044	1.2
201.05586	0.9
203.03543	0.7
203.10710	0.9
209.05725	0.5
211.04005	2.3
213.05638	2.3
213.07382	0.5
223.03970	0.4
227.03493	2.5
229.05042	15.4
230.05351	1.1
239.03513	2.1
240.04170	1.2
241.05055	2.0
243.03178	0.4
255.02942	0.5
256.03714	0.7
257.04556	7.6
258.04868	0.7
261.11288	1.2
267.02884	0.9
273.18863	0.7
277.10846	1.2
281.04492	0.5
285.04037	100.0
286.04352	8.6
288.55609	0.5
289.18045	0.4
303.19684	1.3
305.12723	1.2
321.20682	0.7
334.01144	0.4
347.18472	0.6
364.18338	0.9
364.99640	7.2
365.12436	10.8
365.19638	20.6
366.00143	0.5
366.12750	1.0
366.20206	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02088	0.8
56.98585	0.8
57.03432	0.9
57.11034	0.9
59.01380	17.5
61.98833	4.8
64.66048	1.0
70.40321	3.3
71.01385	4.3
71.28141	1.0
73.02927	1.8
83.01378	1.1
85.02943	1.4
86.37913	0.9
87.62350	0.8
89.02435	2.9
93.03439	0.9
95.01348	1.1
96.96015	2.1
101.02431	2.5
108.02174	29.8
109.02428	1.2
113.02360	1.3
115.27893	0.8
119.03483	1.2
123.04530	16.6
143.03464	1.3
152.01147	30.5
153.01463	1.2
165.02115	0.8
167.03494	100.0
168.03854	4.7
178.79608	0.9
184.84663	0.9
185.25882	1.0
204.08749	1.2
207.18153	1.0
329.08850	13.1
330.09048	1.9
365.17981	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.0
57.03447	100.0
58.03788	2.3
59.01376	75.3
70.30352	1.8
70.30732	1.7
71.01383	9.9
73.02935	5.0
81.03440	1.4
83.01369	3.7
85.02946	5.5
89.02415	2.0
99.00889	2.4
99.04516	81.6
100.04870	2.8
101.02438	32.1
111.34956	1.1
113.02457	4.7
125.02436	19.1
133.62746	1.0
143.03505	4.2
159.02953	2.0
161.04530	5.8
174.37451	1.0
221.10275	35.9
222.10617	2.8
263.11255	4.1
303.14517	2.4
334.84149	1.1
365.14569	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03776	2.0
59.01379	71.2
71.01377	10.5
71.09680	1.3
71.10016	0.9
73.02935	4.8
78.98741	0.8
79.43055	0.8
81.03448	1.0
83.01373	4.2
85.02954	6.7
89.02447	1.2
95.01405	0.9
99.00849	2.1
99.04516	71.0
100.04879	1.9
101.02440	32.3
113.02425	5.7
124.04771	0.8
125.02445	18.9
130.15909	0.9
138.36465	0.9
143.03481	2.0
149.38168	1.1
159.03055	1.6
161.04562	5.7
174.67007	0.8
221.10294	33.0
222.10701	2.0
263.11340	4.8
303.14453	1.5
365.14551	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	365.145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.9
57.03445	100.0
58.03782	1.2
58.77362	0.8
59.01377	81.8
60.01702	1.1
61.98825	1.9
63.06549	0.8
66.63058	0.8
66.79576	1.1
70.63593	1.4
70.63938	2.1
70.93066	0.8
71.01376	13.6
73.02950	6.6
81.03448	1.6
83.01403	5.0
85.02950	7.8
89.02477	2.4
99.00870	3.4
99.04514	71.9
100.04887	2.5
101.02434	32.5
101.06097	2.0
113.02457	7.7
125.02441	18.9
139.75931	0.8
143.03452	2.6
149.79160	0.8
152.62177	0.8
159.03012	0.8
161.04483	6.1
173.31654	0.9
204.08757	1.9
221.10283	34.9
222.10718	2.6
263.11380	2.5
303.14465	2.0
365.14456	6.0
365.18869	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	365.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26026	0.5
57.03452	2.8
59.01377	12.7
60.01437	0.4
61.98828	17.7
67.01891	0.8
69.03428	0.7
69.43763	2.5
71.01009	0.9
71.01378	11.8
72.99310	4.5
73.02946	1.2
75.00870	14.6
83.01378	0.6
85.02950	15.4
87.00881	6.3
89.02442	3.4
89.92937	0.5
91.42592	0.5
95.01381	3.9
99.00880	8.8
101.02441	0.5
103.00346	1.6
113.02448	19.3
115.00378	1.8
115.07648	100.0
116.07981	3.2
117.01942	2.6
129.01942	1.4
135.04494	0.9
139.00409	0.5
149.69392	0.4
156.40997	0.5
157.01401	0.7
162.78099	0.5
175.02477	2.0
183.64891	0.5
205.07112	1.0
231.05132	1.5
249.06143	14.1
250.06424	0.7
267.07260	1.7
285.03885	1.0
292.24353	0.5
305.12439	1.4
321.17041	1.2
326.74359	0.5
347.13461	3.1
365.14526	68.8
365.19391	7.5
366.14929	6.8
366.19495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01699	1.2
61.98830	2.1
68.27170	0.4
71.01385	0.5
71.52148	0.6
72.08270	0.4
72.49513	0.4
72.99312	1.0
85.02976	0.6
88.98820	1.2
119.05048	0.7
123.04544	1.1
134.03769	0.9
135.04564	2.0
137.02469	0.5
161.02458	0.7
167.03531	2.3
181.05275	0.5
189.05658	0.5
203.47139	0.5
210.47302	0.4
238.17958	0.5
273.18878	0.5
275.20084	1.0
303.19592	0.5
319.19040	0.7
321.17175	0.5
321.20804	1.3
347.18600	0.9
365.19690	12.8
366.20038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
57.03446	1.6
59.01379	75.4
60.01723	1.3
61.98825	1.7
67.41897	0.5
68.72314	0.6
70.52352	1.0
71.01385	11.7
72.99307	1.1
73.02943	4.3
83.01368	3.1
85.02941	6.0
87.00889	0.5
89.02450	2.3
95.01402	1.1
97.02953	0.5
99.00887	2.2
101.02441	13.4
106.78944	0.5
113.02447	6.0
113.04547	0.4
119.03514	0.9
135.04547	0.7
142.90236	0.5
143.03513	0.5
143.10728	0.7
158.08180	0.8
159.03018	0.9
161.02446	0.9
161.04538	4.4
167.16753	0.5
204.08769	3.1
211.48978	0.5
277.88672	0.5
305.15933	4.3
339.98569	0.5
347.16757	0.9
365.18137	100.0
366.18472	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
56.55529	0.4
57.03437	0.6
58.00589	1.1
59.01381	19.4
61.98823	0.8
71.01379	12.4
71.04987	0.5
71.51106	0.4
72.99300	1.4
73.02940	1.4
73.73714	0.3
83.01382	1.4
85.02945	3.6
87.00838	0.9
89.02448	9.4
95.01378	0.8
96.95988	0.4
98.20340	0.4
99.00871	0.9
101.02446	9.2
101.06055	0.8
102.02772	0.4
109.02960	0.5
113.02441	4.9
119.03500	3.7
127.11273	2.3
132.03020	0.5
135.04466	0.6
139.11292	0.5
155.10747	1.2
157.12341	10.9
158.12628	0.4
159.15395	0.4
161.04617	0.4
171.13829	0.4
173.04622	0.4
179.05739	0.4
181.30240	0.4
185.11795	2.1
187.13335	1.2
199.13414	0.8
203.12872	32.6
204.13210	2.0
228.79836	0.4
245.13857	1.2
365.18127	100.0
366.18451	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	365.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59199	0.7
59.01355	1.4
60.42347	0.7
69.50882	5.7
78.38834	0.7
121.10242	1.9
154.90010	0.7
171.10315	4.8
173.81305	0.7
179.14371	0.8
195.13893	8.3
196.14397	1.1
205.12387	1.1
223.13388	9.1
228.13634	1.2
239.12828	0.9
256.13123	3.5
275.20142	13.6
276.20456	2.6
293.21210	100.0
294.21536	11.3
330.07428	0.7
332.03799	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.246
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16722	47.8
55.21088	51.4
61.98829	100.0
64.02609	48.0
71.07425	45.3
71.41576	73.7
93.21853	46.7
93.47260	48.5
119.16924	52.6
177.56941	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2693
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
51.36810	0.4
59.01388	0.5
62.67704	0.4
69.43935	2.9
69.54523	0.4
85.06580	2.9
142.54219	0.4
199.13387	3.2
251.19940	0.6
261.18442	0.7
263.53082	0.5
279.19650	16.1
280.19986	1.9
323.23218	0.4
347.25891	6.6
348.26157	0.9
365.26932	100.0
366.27261	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	366.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
61.98828	100.0
69.50481	2.8
71.01380	0.9
71.77934	0.4
72.99303	4.2
89.02454	0.9
98.19974	1.1
98.20673	0.8
107.10055	0.4
109.02987	0.9
115.07634	0.9
116.08019	0.6
117.01978	0.6
117.25585	0.4
119.05003	0.4
123.04553	1.6
134.03728	1.5
135.04524	10.2
142.99873	0.7
153.05574	0.4
161.02414	0.7
163.04059	0.4
167.07149	0.6
174.01645	1.1
179.03477	3.0
185.11842	1.1
190.69926	0.4
197.04547	5.1
204.08781	0.5
211.07680	0.5
213.11345	1.5
241.08672	0.7
295.06177	0.6
303.14474	0.6
331.17612	0.6
339.05191	0.9
365.19611	0.6
366.15295	0.8
366.20029	2.6
367.17505	0.6
367.21341	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	366.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32948	0.7
57.03426	1.1
59.01378	21.8
61.98825	3.9
63.61186	0.8
63.76517	0.7
68.28657	0.8
70.83267	1.9
71.01371	10.4
72.99316	6.3
73.02967	0.9
75.00872	5.1
85.02943	3.4
87.00864	2.0
89.02436	8.7
96.96001	0.8
98.20440	1.2
99.00845	1.8
99.89821	0.8
101.02466	5.4
109.02926	1.3
113.02415	3.1
116.05045	8.9
117.01906	0.8
119.03487	2.7
119.04973	1.4
120.04007	0.9
121.02928	1.1
121.90347	0.8
123.04513	1.7
128.05025	1.7
130.06575	1.7
133.89772	0.9
134.03702	1.3
135.04527	8.3
142.06621	100.0
143.06970	6.5
156.03076	0.9
158.06110	12.1
163.03993	1.6
165.01958	1.1
173.04509	2.9
179.03458	2.7
186.05592	51.4
187.05928	3.7
197.04517	3.3
204.06638	29.8
205.06950	2.0
223.07542	0.9
246.07678	2.6
258.27145	0.8
366.11887	89.7
366.19101	2.7
367.12305	9.7
367.21243	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	367.1031
Annotation	4-O-feruloyl-D-quinic acid
Peak:m/z	Relative Intensity
57.03446	1.0
59.01380	9.5
61.98832	2.8
65.81306	0.4
71.01374	0.9
71.20901	0.6
71.21236	0.4
72.99311	0.5
78.95899	0.5
81.03474	0.5
83.05021	0.7
85.02960	1.1
89.03970	2.4
93.03470	4.3
96.84836	0.4
96.96002	0.5
99.00904	0.3
99.04536	0.6
101.02442	0.8
106.41214	0.4
109.02995	0.5
111.04536	1.9
117.03466	8.8
118.03764	0.8
119.05023	5.6
127.04033	0.7
134.03735	90.5
135.03990	3.4
137.02454	1.1
141.57916	0.4
146.93719	0.4
149.06082	6.5
155.03503	2.7
163.03976	3.3
173.04535	8.2
177.01971	0.5
179.03595	0.4
188.50349	0.4
191.05597	4.4
192.58664	0.4
193.05040	100.0
194.05420	6.1
197.04488	0.6
242.79269	0.4
265.12799	0.9
288.34158	0.5
367.06226	0.7
367.10352	8.5
368.10510	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.3
59.01379	4.2
60.99305	0.4
61.98838	0.7
67.01888	4.3
69.03456	0.8
69.62837	1.0
69.63244	2.1
71.01374	3.8
72.99314	2.2
75.27634	0.5
81.03466	0.9
83.05034	1.1
85.02968	1.2
89.03957	0.9
93.03458	29.0
94.03776	1.1
99.04546	0.4
100.92274	0.4
109.02946	1.3
111.00876	0.7
111.04527	4.5
113.02480	0.4
117.03438	1.8
119.05028	1.6
120.75710	0.4
123.04511	1.0
127.03996	0.5
134.03741	23.5
135.04567	4.6
137.02438	4.6
149.06087	2.0
155.03471	3.7
156.03986	0.4
163.04001	1.7
165.01938	0.6
173.04541	100.0
174.04855	4.4
179.03499	1.4
191.05582	3.2
193.05049	16.1
193.06824	0.9
194.05344	1.0
197.04546	2.0
218.31931	0.4
244.66199	0.4
367.10370	3.7
367.20898	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80157	0.4
57.03448	0.8
59.01370	2.7
60.19817	0.5
61.54433	0.4
61.98817	0.8
64.61039	0.5
65.82774	0.5
67.01886	4.9
69.03450	1.1
70.65904	1.3
71.01382	2.9
72.99308	1.9
75.17669	0.4
81.03444	0.9
83.05032	0.6
85.02960	0.6
93.03456	25.7
94.03797	0.9
98.79368	0.5
103.07417	0.5
106.54035	0.5
109.02944	1.6
111.00906	0.8
111.04518	5.9
117.03488	2.2
119.05017	2.2
123.04485	0.6
127.04042	0.9
134.03746	21.2
135.04550	4.3
137.02463	5.8
143.06938	1.0
149.06085	1.0
155.03488	4.9
163.03986	1.6
165.01996	0.7
173.04544	100.0
174.04877	4.1
179.03545	1.3
191.05611	0.7
192.55615	0.5
193.05063	15.1
194.05424	0.7
197.04562	2.4
198.10596	0.5
287.05646	0.6
306.89859	0.6
319.37186	0.6
327.05234	0.6
367.10049	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.8
57.03447	83.4
57.68934	1.4
58.03782	1.6
59.01378	100.0
61.98825	6.0
62.25461	1.4
70.54293	1.4
71.01382	19.5
71.49765	1.8
72.99288	1.5
73.02947	7.2
75.00896	1.6
75.82608	1.4
83.01390	4.0
85.02949	11.3
87.00874	2.6
88.84740	1.3
89.02449	3.9
93.62856	1.3
96.99239	1.4
99.00891	2.3
99.04517	79.6
100.04842	3.1
101.02438	50.3
113.02441	9.0
123.04525	2.9
125.02436	27.7
129.01897	1.4
134.03726	5.2
143.03491	3.4
152.01144	2.8
154.91635	1.4
159.02962	2.3
161.04532	13.2
167.03468	6.0
193.05026	6.6
198.14191	1.5
205.07133	2.3
223.06007	2.7
223.08211	54.2
224.08534	2.5
265.09259	19.7
305.12396	3.3
319.37155	1.5
367.12469	13.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71824	1.7
58.32400	1.7
59.01371	7.6
61.44734	1.7
61.98829	100.0
62.74409	1.8
70.04862	7.7
73.88621	1.7
194.79282	2.0
219.31604	1.7
307.19330	2.6
367.16492	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	367.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95367	1.8
57.03426	1.8
59.01378	100.0
60.08770	1.5
61.98804	2.7
71.52488	2.3
89.99150	1.7
101.20883	1.5
104.75159	1.6
113.09707	7.9
124.72269	1.9
127.10915	1.7
195.13902	1.9
209.06099	1.7
290.98099	1.7
293.21231	50.1
294.21506	7.3
333.06122	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	367.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63540	0.7
57.03425	0.7
59.01376	10.2
61.98816	0.9
67.27646	0.7
69.40844	1.8
69.41251	3.5
71.01382	2.2
83.61045	0.6
86.16069	0.7
89.02451	2.0
91.04015	12.6
97.06556	1.1
111.08133	0.8
113.09714	2.3
124.04134	0.7
125.09693	1.2
171.10278	3.8
179.14394	1.7
189.60107	0.8
193.55222	0.8
195.13895	21.3
196.14255	1.4
203.27422	0.7
211.13351	0.9
222.08730	6.8
223.09569	3.4
223.13333	5.5
254.07907	0.9
256.13293	2.1
258.05118	0.8
262.11771	0.8
275.20187	5.6
277.21735	17.4
278.22061	2.5
293.21222	90.1
294.21561	9.0
295.22769	100.0
296.23129	12.9
309.20700	2.5
331.18857	11.2
332.19342	1.1
367.16293	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	367.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.2
59.01381	9.7
61.98838	1.9
68.67459	1.2
70.09791	3.2
71.01357	1.8
71.57419	1.3
72.99297	1.3
89.02438	3.8
91.04008	15.5
98.20004	1.7
162.20142	1.3
171.10275	21.7
171.82626	1.3
179.14320	1.5
195.13878	8.4
209.81436	1.2
222.08656	3.0
223.13402	5.3
238.23245	1.3
256.13126	1.8
275.20087	6.0
277.21707	28.4
278.21954	3.0
293.21234	100.0
294.21558	11.3
295.22794	80.4
296.23071	9.3
309.20602	1.8
331.18854	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	367.2125
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
59.01397	1.9
61.98820	0.5
69.66661	2.3
71.01370	0.5
72.99288	0.5
78.95905	1.5
93.55239	0.4
96.96012	0.8
99.04530	0.5
116.57026	0.4
122.69966	0.4
124.67235	0.4
125.84743	0.4
130.08617	0.4
135.04498	1.2
138.06863	1.8
152.99573	0.7
163.07631	0.5
178.93616	0.4
179.03400	0.7
321.20840	0.6
323.22217	2.1
349.20264	1.1
367.21219	100.0
368.21536	12.3
373.78082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2123
Annotation	Delta17-6-keto PGF1alpha
Peak:m/z	Relative Intensity
53.38358	0.4
56.67293	0.4
57.03413	0.5
59.01382	2.8
59.18547	0.4
61.98784	0.5
69.25049	1.8
69.25476	1.4
71.01383	0.4
72.00916	1.1
79.48910	0.4
83.05002	0.4
85.36076	0.3
96.96011	0.4
98.19924	0.7
99.04499	0.4
116.92854	0.4
117.01879	0.5
125.09684	0.6
135.04517	1.0
138.06851	0.9
164.07199	0.7
177.02071	0.4
202.05121	0.7
222.32573	0.4
303.19754	0.9
321.20667	1.0
323.22253	1.9
347.49405	0.4
349.20273	0.6
367.04587	1.7
367.21228	100.0
368.17212	0.9
368.21609	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	367.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75040	0.4
54.96286	0.4
57.03445	0.7
59.01377	7.8
61.98820	0.6
66.41144	0.4
70.02244	1.8
71.01393	1.0
80.62653	0.4
82.09242	0.4
82.31201	0.4
83.05003	0.8
89.02448	2.9
91.04002	15.1
94.83522	0.4
111.08161	0.7
113.09727	1.0
167.10835	0.7
171.10255	2.6
179.14427	1.7
181.12404	0.8
195.13895	13.7
196.14189	0.9
205.12332	0.9
205.15897	0.5
223.13393	7.2
228.13760	0.7
235.17097	0.7
256.13104	1.4
257.18994	0.7
262.11655	0.7
265.21524	0.4
275.20126	7.2
276.20755	0.6
277.21713	7.2
278.22168	0.9
293.21213	100.0
294.21564	11.5
295.22769	44.8
295.26474	0.4
296.23108	5.5
309.20667	0.5
329.17361	0.5
330.67081	0.5
331.18924	1.7
367.24326	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.6
59.01374	6.5
61.98822	1.7
65.51492	0.4
70.01923	2.1
71.01367	1.2
89.02451	3.0
91.03450	1.0
91.04006	15.7
111.08149	0.5
171.10228	4.0
179.14415	1.4
195.13899	8.9
196.14326	0.9
205.12318	1.2
223.13379	6.7
224.13815	0.6
228.13612	1.4
231.66563	0.5
245.19049	1.2
254.24594	0.5
256.13208	2.8
275.20123	7.6
277.21680	6.1
293.21219	100.0
294.21555	11.2
295.22775	16.0
296.23157	1.4
307.19226	1.3
309.20758	0.8
331.18845	1.6
367.16370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2639
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
55.56776	0.7
61.98833	1.0
69.71275	4.0
87.17595	0.7
98.19920	1.4
98.20537	1.4
116.07281	0.8
124.49460	0.8
133.06583	9.3
142.01019	0.7
149.09709	81.8
150.10042	4.6
161.79868	0.7
205.15961	46.8
206.16364	3.7
209.58392	0.7
250.32433	0.7
295.17038	2.4
328.16785	2.6
367.26413	100.0
368.26724	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	367.264
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10644	0.7
59.01350	0.7
61.98822	1.5
69.30560	1.3
69.30975	5.5
98.20416	3.1
107.39661	0.7
117.60847	0.7
133.06599	1.5
149.09717	81.8
150.10056	4.6
152.17772	0.7
189.12767	0.9
204.30963	0.9
205.15964	79.4
206.16327	6.3
310.20047	0.8
367.26413	100.0
368.26746	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	368.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57928	0.6
58.86255	0.7
59.01375	2.0
61.98827	100.0
69.44912	3.0
72.42259	0.6
80.17542	0.7
82.20898	0.7
104.93187	0.6
178.23720	0.6
199.00691	0.8
243.39661	0.7
270.78342	0.7
286.23911	2.8
333.20834	0.8
368.16916	1.0
369.17422	2.2
369.22739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48457	0.7
59.01376	11.7
61.98829	100.0
69.34823	6.1
71.00285	1.0
120.16601	0.9
184.70924	0.9
198.72516	0.9
199.44957	0.9
294.21338	1.2
295.22595	1.0
296.23120	8.1
369.17526	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	369.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43163	1.5
54.77679	1.5
59.01370	12.0
61.98827	12.4
70.06408	1.3
70.97419	1.6
70.97758	3.2
71.01373	10.1
72.99351	1.4
73.02937	1.8
75.00864	4.9
78.95918	1.6
83.01379	1.9
87.00863	12.7
93.03468	2.3
96.95992	2.0
101.02431	1.8
111.00904	2.1
115.00372	40.5
123.04505	6.5
133.02927	6.3
134.03784	9.5
135.02988	2.0
135.04482	5.5
137.02441	2.6
148.05305	21.9
149.06046	5.1
150.06798	1.9
151.03984	3.8
161.02454	7.9
162.03210	18.2
163.03955	4.2
163.07695	2.7
164.04747	6.0
174.01686	17.0
175.02484	52.9
175.03897	2.8
176.02718	2.3
177.01923	2.0
177.05554	26.8
178.06190	5.7
179.07135	3.9
188.04752	6.1
189.05350	1.9
191.05608	4.6
194.02151	7.5
195.02943	3.6
195.06610	4.5
203.07138	2.2
205.05023	2.0
207.06616	14.8
221.04642	11.2
221.08144	7.3
223.06061	6.4
244.82083	1.7
251.05583	100.0
252.05910	7.2
307.08600	2.1
309.05966	9.2
369.02890	4.4
369.08170	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.228
Annotation	20-hydroxy-PGF2a
Peak:m/z	Relative Intensity
57.03444	4.8
58.00585	0.8
59.01371	4.1
61.98816	1.5
69.03451	0.6
71.01388	2.4
71.04997	1.2
72.99296	1.1
73.02934	1.1
75.00864	1.8
79.18194	0.3
83.01384	0.6
83.05026	0.5
85.02950	1.3
85.06590	1.0
87.04492	0.4
88.04073	0.4
89.02464	0.5
93.03467	0.5
95.01409	0.4
97.06587	1.6
101.02441	0.5
109.02952	0.4
109.06567	0.6
111.08173	0.4
113.02425	1.7
122.03737	0.7
123.08128	1.6
125.09686	0.8
126.63564	0.3
128.98264	0.8
135.04543	0.8
137.02420	0.5
137.09689	1.2
139.11292	0.4
142.99878	0.6
151.11308	0.6
153.09233	1.0
153.12831	0.6
163.11266	0.7
173.04514	0.5
174.69136	0.3
179.03471	0.4
181.12294	0.6
195.13815	0.5
205.12492	0.4
205.16058	0.4
207.13921	0.4
207.17538	1.2
219.13895	0.4
221.15576	0.6
223.13425	0.8
223.17046	0.9
225.14957	0.5
235.17024	1.2
247.17130	0.6
249.18568	0.5
253.18185	0.8
261.18637	0.5
265.18033	0.7
265.21695	0.4
267.19623	1.1
269.21146	0.4
275.20016	0.8
277.21637	1.1
291.19574	1.2
293.21213	4.5
294.21661	0.5
295.22757	0.6
305.21234	3.4
307.22781	1.2
308.22995	0.4
313.20163	3.3
321.20535	1.0
323.22260	1.5
324.22864	0.4
325.20142	1.3
325.23834	3.6
326.24081	0.5
335.59760	0.4
341.23141	0.4
369.22784	100.0
370.18976	1.3
370.23132	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
60.35522	0.6
61.98827	100.0
71.51443	1.0
72.48637	0.6
83.01372	7.3
117.35370	0.6
121.02960	1.9
133.70409	0.6
136.05321	1.2
335.22180	1.5
356.12900	0.9
360.90494	0.8
371.15042	2.8
390.37228	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91343	1.2
58.39600	1.0
58.44504	1.1
58.54932	0.9
61.98828	100.0
64.22412	1.3
83.01398	6.6
109.70876	1.1
121.02950	4.6
134.65614	1.2
136.05263	2.1
145.31871	1.2
164.15971	1.2
166.73894	1.1
180.48630	1.2
183.11244	1.2
195.10623	1.3
252.05923	1.4
371.14639	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	370.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08540	0.4
59.01385	1.2
61.98827	100.0
62.96904	0.4
66.37354	0.4
69.44056	2.4
73.80093	0.4
75.93626	0.5
79.52546	0.5
83.01392	1.9
87.00895	1.5
98.20693	1.0
115.59333	0.4
121.02080	0.8
121.02946	14.3
136.05312	0.7
143.09674	0.4
158.03749	0.7
168.44293	0.4
179.03516	1.9
187.07591	0.9
201.05621	0.6
211.07680	0.9
214.06409	1.1
215.07108	0.8
229.08765	0.8
230.09332	0.6
274.08551	0.6
371.07877	1.8
371.15228	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32689	0.9
57.69114	0.8
59.01383	8.4
59.16611	0.8
61.98828	100.0
65.96361	0.8
70.05210	1.9
70.05593	3.0
72.04305	1.1
83.01387	6.3
87.00876	15.1
92.34229	0.8
98.20569	1.2
121.02949	3.1
136.05257	3.6
139.68306	0.9
152.81375	0.9
158.03717	3.6
171.04544	2.1
172.05287	3.4
173.06064	1.8
182.03685	3.6
186.06935	4.3
187.07573	4.0
196.99701	0.8
200.04761	2.8
201.05548	4.6
201.09242	2.2
211.07668	5.2
214.06279	9.3
215.07138	4.3
229.08701	7.3
230.09404	3.5
239.84190	0.9
260.39099	0.8
274.08398	5.8
301.05481	0.8
371.14801	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	370.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
61.98828	100.0
63.60538	0.5
66.70444	0.4
69.44776	3.2
83.01382	5.5
87.00875	5.1
96.91850	0.4
98.20619	0.8
99.13166	0.5
121.02975	1.7
136.05351	1.7
158.03712	3.7
159.04515	1.6
159.08177	1.0
168.04361	1.2
171.04556	0.5
172.05304	2.8
173.06100	2.1
174.06813	0.6
177.01909	1.0
182.03720	1.5
186.06830	2.2
187.07651	7.3
200.04846	2.0
201.05568	5.3
201.09242	1.6
211.07607	3.2
214.06372	3.1
215.07097	3.1
219.92380	0.5
223.13451	2.0
229.08678	5.0
230.09456	4.2
234.48358	0.5
235.09709	0.7
274.08438	7.4
309.15109	1.3
356.12805	0.6
370.23093	1.1
371.10626	0.8
371.14938	4.2
371.24051	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78539	1.2
59.01380	11.7
61.98829	100.0
64.52555	1.3
83.01378	28.1
87.00879	13.8
98.19849	2.7
103.22377	1.5
121.00254	1.2
121.02950	8.7
123.00896	3.0
136.05260	5.7
152.95401	1.5
158.03716	2.1
159.04541	1.4
168.04233	2.4
171.04507	2.6
172.05269	2.6
173.06067	2.6
182.03630	4.1
183.04477	1.5
186.06772	3.6
187.07603	6.9
200.04829	3.0
201.05568	4.9
201.09125	2.7
211.07721	7.0
214.06325	8.8
215.07146	3.5
229.08649	5.6
230.09570	3.2
274.08456	6.5
309.14990	1.8
311.22235	9.3
326.24252	2.1
327.16064	2.0
333.20755	1.8
356.12363	1.8
370.17712	5.5
371.14917	17.4
371.19250	2.4
371.24243	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	371.077
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
55.01873	0.3
59.01375	2.6
61.98505	0.3
61.98827	5.4
63.03844	0.2
65.53856	0.2
69.35737	0.9
69.36165	0.7
70.07566	0.2
71.01390	0.2
71.63801	0.2
77.03982	0.2
79.91924	0.2
83.01388	7.1
84.73596	0.2
87.00874	4.6
87.01383	0.4
93.03455	0.6
98.20721	0.4
115.92059	0.4
121.02953	100.0
122.03286	4.1
135.04503	0.4
136.05293	2.0
139.11256	0.2
145.02859	0.3
149.02484	0.8
151.03967	0.3
158.03732	1.8
158.07394	0.3
159.04507	0.6
159.43925	0.2
168.04291	1.0
171.04494	0.4
172.05307	1.3
173.06027	0.7
174.06696	0.3
177.01974	0.4
179.03485	10.4
180.03828	0.5
181.06641	0.5
182.03735	1.1
185.06055	0.3
186.06847	1.9
187.07634	2.7
199.03966	0.4
200.04771	1.4
200.68651	0.2
201.05562	2.4
201.09216	1.1
211.07643	1.8
212.08276	0.2
214.06319	2.9
215.07045	1.6
225.05621	0.6
229.08665	2.5
230.09386	1.5
235.09734	0.5
239.07120	0.6
257.47208	0.2
274.08490	2.9
305.56149	0.3
309.14963	0.8
356.12668	1.0
371.07700	16.0
371.14740	3.3
371.24350	0.8
372.07999	1.8
372.15323	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.08
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99599	18.6
59.01067	0.5
59.01372	7.7
61.35123	0.3
61.98833	0.6
69.03447	1.3
71.01380	0.9
71.05850	0.8
73.02936	0.6
74.99088	2.6
79.01894	0.4
83.00916	0.5
83.01383	6.0
85.02946	0.6
87.53847	0.3
93.03427	0.4
95.01365	0.3
97.02948	0.6
101.02473	0.5
102.98589	100.0
103.98920	1.4
107.01379	1.5
109.02940	0.7
113.02380	0.5
114.37461	0.3
120.99632	2.8
121.02927	2.5
123.00879	0.7
125.02444	0.9
128.03517	0.4
135.00867	1.5
135.04497	0.7
136.05254	1.5
137.02408	0.5
145.02960	0.5
145.12917	0.4
146.03683	0.4
151.00340	1.2
161.02399	0.4
163.00711	5.0
163.04077	0.7
165.01918	1.9
166.02713	6.4
167.03452	2.2
168.04240	0.7
173.04518	0.4
177.01897	2.4
179.03499	0.4
180.04266	1.8
180.26758	0.3
192.04283	2.7
195.06610	1.8
205.05029	1.3
207.06606	3.0
225.14557	0.4
313.07413	0.4
316.45657	0.4
327.09259	0.6
356.12680	0.9
371.10114	0.6
371.14978	3.1
371.19354	0.4
372.15350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83353	0.4
52.71169	0.4
59.01371	2.0
62.74765	0.4
64.49989	0.4
67.38874	0.4
68.91365	0.4
70.06754	2.1
71.01371	1.0
74.17036	0.4
76.20774	0.4
78.95946	0.5
81.03403	0.6
83.01390	0.9
85.02954	6.5
87.00878	2.4
92.57330	0.4
93.03445	3.4
98.20557	0.6
102.23029	0.5
109.02916	0.7
111.04521	1.0
127.03980	1.4
129.16924	0.4
135.04500	0.6
137.02426	0.6
161.00945	0.7
173.04547	1.3
191.05606	100.0
192.05942	3.9
225.07590	0.4
352.96960	0.4
371.14944	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Cycloshermilamine D
Peak:m/z	Relative Intensity
53.23914	1.3
55.01877	1.6
57.03446	2.8
59.01377	22.2
67.01887	1.4
67.49152	1.0
68.99799	2.2
69.03449	1.6
69.51442	1.8
69.51842	4.8
71.01376	18.7
72.99303	5.4
73.02930	4.3
75.00868	19.4
76.05581	1.1
76.81342	1.2
81.03459	1.2
83.01375	6.3
83.05038	1.6
85.02950	19.5
87.00867	6.5
89.02435	5.4
93.03439	2.1
94.55385	1.0
95.01379	4.8
95.44258	0.9
96.64001	1.1
99.00872	8.9
102.98596	1.5
103.00397	2.7
111.04472	1.2
113.02448	23.0
117.01923	3.5
118.06174	1.1
121.02950	100.0
122.03282	3.6
122.90288	1.1
129.01970	1.4
130.08664	1.5
136.05315	1.5
157.01404	1.4
175.02507	3.1
230.24855	0.9
231.05099	8.4
243.02774	1.8
244.03853	3.0
249.06146	66.1
250.06525	2.6
327.05136	2.0
345.95132	1.1
353.08679	1.6
370.23615	1.9
371.09818	62.4
371.14679	2.1
371.23572	2.7
372.10257	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	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.8
57.03431	2.7
58.00591	5.7
59.01378	21.2
61.98831	13.9
62.98126	2.9
70.91814	6.6
71.01385	14.6
71.43239	2.8
72.99287	2.6
73.02933	5.6
75.00850	3.9
83.01381	65.7
85.02945	8.7
87.00846	5.2
93.03426	4.8
96.96010	3.8
99.00868	18.3
101.02461	6.6
104.23957	2.8
108.02168	9.9
109.02987	2.9
115.00336	5.7
121.02943	20.8
123.00851	4.4
123.04503	12.0
124.01649	5.7
128.71724	2.7
133.02948	3.8
134.03728	28.1
135.04541	17.7
136.05331	28.7
137.02423	4.8
147.04509	6.4
148.01682	7.1
148.05301	30.2
149.02422	4.0
149.06061	17.0
150.03249	4.8
152.01135	5.5
159.03046	3.2
159.04463	8.6
160.05264	15.6
161.02463	17.3
161.06026	3.9
162.03227	47.4
162.06877	4.8
163.04037	20.9
163.07602	16.0
164.04770	17.0
165.05544	4.4
167.03496	12.2
168.04271	9.6
172.05266	6.5
173.04617	5.1
173.06061	10.9
174.03294	4.2
175.03967	12.6
176.04759	11.0
177.01988	3.4
177.05560	100.0
178.02609	4.1
178.06288	18.1
179.07114	6.5
184.05287	7.3
185.83484	2.7
187.03993	8.3
188.04778	29.6
189.05415	10.9
190.02716	9.4
190.06380	13.6
191.03624	3.8
191.05565	23.3
191.07138	12.8
193.05116	6.9
193.08662	8.7
194.02174	10.1
194.05602	3.0
195.06635	9.0
202.06357	11.8
203.03445	2.7
203.07167	14.9
204.04222	12.1
205.05025	21.1
205.08705	13.8
206.05739	3.4
207.06664	22.8
209.08156	8.2
215.03358	5.1
216.04254	5.8
217.05031	3.4
217.08698	38.6
218.09087	4.4
219.03076	3.9
219.06590	65.3
220.06862	4.3
221.04529	3.8
221.08209	30.5
223.06172	6.4
231.06561	41.8
232.06860	3.0
233.04544	5.9
235.06087	62.3
235.09721	6.5
237.07660	18.9
247.06160	3.4
249.07718	38.9
251.05588	82.1
252.05801	4.4
253.07130	10.7
261.07663	6.1
265.07184	9.1
271.20850	3.3
291.08710	7.9
293.06638	51.8
309.09799	7.9
330.89438	2.8
353.08725	70.1
354.08984	6.7
356.12466	6.5
371.09787	25.6
371.14954	35.3
372.10275	4.2
372.14893	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07697	1.6
59.01379	27.9
61.98835	2.3
69.63817	10.9
71.01373	7.5
73.02969	2.3
83.01382	20.6
87.00834	2.3
89.02421	5.3
97.83499	1.6
98.20629	3.6
99.00900	2.3
99.04457	1.7
101.02445	5.9
108.02208	2.8
119.03489	2.6
121.02957	3.9
122.03756	2.0
123.04541	2.9
124.01666	2.9
131.05006	3.3
133.02933	1.8
134.03732	17.4
135.04573	9.4
136.05284	7.4
147.04541	3.5
148.05298	76.2
149.02486	2.9
149.05925	4.4
150.03250	2.6
152.01144	3.3
160.01672	2.2
160.05275	4.6
161.02388	10.2
161.06094	6.4
162.03204	31.6
163.03976	8.2
163.07637	61.6
164.04788	10.1
164.07967	2.9
167.03519	2.0
168.04181	2.2
172.05278	16.2
172.17928	1.8
173.06050	5.9
175.03972	6.8
176.01114	3.0
176.04521	2.7
177.05554	54.0
178.06335	13.0
179.07104	2.6
184.05264	2.5
185.06100	1.8
187.07646	4.8
188.04726	2.4
189.05579	14.0
190.06331	48.6
191.06863	5.0
192.04282	5.5
193.08679	7.1
194.02165	8.7
195.06639	7.7
202.06335	5.0
203.06964	2.1
204.04291	4.9
205.05038	2.7
205.08699	33.4
206.09036	3.3
207.06648	15.6
208.68611	1.7
217.08659	9.8
219.06631	16.7
220.07310	2.0
221.08160	2.3
223.06111	6.8
231.06502	3.0
233.04585	2.5
235.06061	10.7
237.07625	10.7
249.07755	6.0
251.05597	100.0
252.06024	6.9
265.10846	4.0
293.06778	6.0
327.10880	6.5
341.98782	1.7
353.08701	15.8
354.08838	2.8
371.09860	69.2
371.14758	8.3
372.10095	7.0
372.14667	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58139	0.5
59.01375	1.3
64.31773	0.6
70.57237	0.6
70.66413	1.6
71.01376	1.0
85.02950	8.0
87.00851	1.2
93.03458	2.4
99.71574	0.5
107.96214	0.6
127.03986	1.7
142.56749	0.7
156.41005	0.6
173.04626	1.5
191.05600	100.0
192.05919	4.9
245.65918	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.0
69.91051	0.8
69.91457	0.8
71.01374	0.6
73.02965	0.3
75.68422	0.3
83.01404	0.9
85.02937	0.6
102.98611	2.4
113.02507	0.5
130.08788	0.9
136.05350	0.4
250.88173	0.3
267.06744	0.4
269.10361	0.4
270.70419	0.3
284.17261	0.4
354.20233	0.4
371.15176	0.3
371.20840	0.4
372.21552	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99610	1.0
59.01379	100.0
60.01711	1.0
61.98835	2.1
69.93950	1.5
69.94338	1.6
71.01379	1.9
73.02966	1.7
83.01388	7.3
98.89143	0.7
101.02450	2.0
102.98603	5.2
120.84575	0.7
121.02989	1.9
130.08749	2.5
135.04477	1.1
136.05299	1.9
161.02419	1.4
163.46715	0.8
173.04626	0.7
180.10258	0.8
248.32278	0.8
258.40161	0.7
271.05740	0.9
329.02982	0.7
371.15036	3.1
372.21390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03428	1.9
58.00598	2.1
59.01378	100.0
60.01717	2.0
60.02908	0.8
61.98819	2.3
71.01381	55.6
71.50925	1.1
72.99294	3.0
73.02944	36.4
74.03280	1.1
75.00857	1.1
81.03471	0.9
83.01387	28.4
85.02946	11.5
87.00867	2.4
88.04050	0.8
89.02442	23.6
89.90258	0.7
93.03459	1.7
95.01381	3.8
96.96006	1.8
97.02960	1.8
99.00864	3.3
101.02440	36.0
102.02818	0.9
102.98599	4.0
108.23622	0.7
109.02905	1.0
113.02451	27.1
114.02811	1.0
119.03497	9.3
121.02972	4.2
123.04482	1.0
125.02462	1.0
128.03545	1.0
130.08781	1.2
131.03474	2.9
134.03738	23.6
136.05309	4.6
143.03485	3.0
149.04713	1.8
149.06078	27.9
150.00179	3.1
150.06432	1.8
152.04768	2.0
155.03510	1.3
161.02460	1.6
161.04547	5.5
167.07071	2.3
168.04276	2.1
173.04529	1.7
173.08229	1.0
179.03590	1.0
179.05632	2.3
183.11383	0.9
235.09705	0.9
243.02794	1.1
244.03722	2.4
253.05078	1.1
253.27472	0.9
283.06363	1.0
311.11359	14.4
312.11655	1.6
327.05112	3.0
329.12335	5.5
356.12631	1.5
364.91824	1.0
371.03497	0.9
371.14789	7.9
372.14981	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2436
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
50.16077	0.2
57.03451	0.3
59.01364	0.8
61.57590	0.3
69.03432	0.3
71.05022	0.5
73.02931	0.4
76.48472	0.3
83.01390	1.1
85.02973	0.3
85.42584	0.3
91.33578	0.2
97.06593	2.5
98.20667	0.6
99.82124	0.3
119.01900	0.3
121.02924	0.3
123.08151	1.0
125.09725	1.5
127.11291	0.4
136.05280	0.6
137.09691	0.8
139.11292	2.1
149.09729	0.6
155.10757	0.8
157.12332	1.1
159.95479	0.3
161.84019	0.3
167.10808	0.5
169.12402	0.5
174.19368	0.3
185.11818	13.4
186.12106	1.0
213.11348	0.8
214.12077	2.4
215.12877	1.6
225.09177	0.5
225.14841	0.4
241.14482	0.8
243.15982	3.3
244.16302	0.4
255.16068	0.7
283.13248	1.6
311.22229	1.1
327.16010	0.7
341.23267	7.2
342.23590	0.7
353.23294	1.4
369.22794	1.1
371.24347	100.0
372.24692	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56932	0.3
57.03432	0.5
58.10043	0.3
59.01366	1.2
68.33264	0.3
71.05019	0.5
73.02910	0.3
83.01382	0.9
87.04496	0.4
97.06586	3.0
121.02943	0.4
122.88117	0.3
123.08146	1.0
125.09715	1.4
127.11282	0.4
135.08203	0.3
136.05290	0.4
137.09709	0.7
138.10028	0.3
139.11292	2.4
141.12854	0.4
146.06418	0.3
155.10728	0.6
157.12326	1.4
167.10806	1.8
169.12332	0.3
185.11821	14.2
186.12143	0.8
213.11349	1.1
214.12065	3.1
215.12892	1.5
241.14453	0.8
243.16008	2.6
251.49232	0.3
255.15962	0.6
271.89264	0.3
277.75897	0.3
293.21222	0.3
305.21249	0.4
307.32413	0.3
311.22314	1.2
317.21085	0.4
333.34079	0.3
335.22397	0.3
341.23260	6.7
342.23642	0.6
353.23145	1.4
369.22897	0.8
371.24344	100.0
372.24673	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	371.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46322	0.2
57.03441	0.8
59.01377	1.5
61.98817	0.4
69.03445	0.4
69.53297	1.1
71.01379	0.3
71.05014	0.6
73.02947	1.0
79.26022	0.2
83.01382	3.7
83.05016	0.2
83.27225	0.2
85.02948	0.5
85.06599	0.2
87.00878	0.4
87.04513	0.4
95.05043	0.3
96.95982	0.3
97.06581	2.8
101.55338	0.2
109.06617	0.3
113.06091	0.3
121.02982	1.0
121.10238	0.3
123.00877	0.2
123.08131	0.9
125.09711	1.6
127.11259	0.3
130.08717	1.2
135.04510	0.2
136.05310	1.1
137.09671	0.9
139.07733	0.2
139.11290	2.4
141.09195	0.2
141.12868	0.5
151.11270	0.3
155.10718	1.0
157.12318	1.2
161.02512	0.2
167.10748	0.2
168.04257	0.5
169.12347	0.4
171.10277	1.3
173.04662	0.2
183.10248	0.3
185.11815	12.2
186.12143	0.7
211.07600	0.3
213.11299	1.3
214.12093	2.4
215.12859	1.7
217.10785	0.2
225.09212	0.8
226.09892	0.3
227.10626	0.3
235.09625	0.2
239.10651	0.5
240.04243	0.2
241.14407	0.7
243.15955	2.9
244.16252	0.4
250.18143	0.2
254.09491	0.3
255.10272	0.3
255.13649	0.4
255.15987	0.7
283.13391	3.3
287.27081	0.2
293.21240	0.2
305.21234	0.4
311.05582	0.7
311.12628	0.3
311.22263	1.4
323.22308	0.3
327.12527	0.3
327.15936	1.4
327.19415	0.8
335.22159	0.2
339.05032	0.7
341.23303	6.4
342.23544	0.8
344.43484	0.2
353.23151	1.9
354.23300	0.2
356.12952	0.3
369.22842	0.6
371.14740	2.6
371.24341	100.0
372.24683	13.6
372.29532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2433
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
53.14137	0.2
57.03435	0.4
58.00605	0.3
59.01385	1.0
59.42746	0.2
69.03445	0.2
69.27788	1.7
71.05025	0.5
71.52573	0.2
73.02952	0.6
83.01384	2.1
83.05045	0.3
85.02940	0.7
87.00910	0.3
87.04526	0.5
90.28585	0.3
93.03417	0.2
95.05036	0.3
97.06595	2.8
109.02943	0.6
113.06099	0.3
121.02936	0.7
121.10217	0.2
122.80456	0.2
123.08137	0.8
125.09742	1.5
127.11311	0.3
130.08754	0.2
136.01637	0.2
136.05289	0.9
137.09758	1.0
139.11296	2.7
141.09181	0.3
141.12860	0.3
151.03961	0.3
155.10768	1.3
157.12315	1.0
160.05299	0.3
167.10716	0.4
168.04277	0.4
169.12340	0.3
173.10272	0.2
179.03601	0.2
183.04495	0.4
185.11821	15.6
186.06834	0.3
186.12164	0.7
193.15836	0.2
196.05095	0.2
197.06166	0.3
209.06075	0.2
211.04019	0.4
211.07571	0.4
213.11351	1.0
214.12108	3.4
215.12813	1.7
224.08348	0.3
225.09212	0.7
226.06195	0.3
226.09920	0.4
227.10748	0.4
234.23907	0.2
236.42331	0.2
239.10796	0.3
241.14534	0.6
243.15994	4.1
254.09473	0.5
255.10225	0.5
255.13855	0.9
255.16176	0.4
267.06540	0.6
282.09015	0.7
283.13382	3.3
284.13745	0.5
297.11249	0.8
298.11655	0.3
305.21136	0.4
311.22275	0.9
323.22260	0.3
327.12302	1.1
327.16003	2.4
328.16302	0.3
339.21487	0.2
341.23282	6.5
342.23752	0.8
352.36636	0.2
353.23279	1.2
354.23532	0.3
356.12238	0.3
369.22583	0.8
371.24347	100.0
372.24686	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40413	1.8
59.01381	2.8
61.98829	100.0
65.02922	1.9
65.99714	1.9
69.33443	15.0
73.11649	1.8
83.01398	11.8
83.01823	1.8
92.04160	1.8
95.86031	2.0
96.33377	1.9
107.71809	1.7
117.26156	2.1
121.02946	2.2
135.33713	1.7
136.05264	3.8
149.30270	1.9
157.60773	1.9
159.10252	1.9
168.04301	2.3
207.25610	2.6
372.15353	7.3
373.10440	2.1
373.15320	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	372.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09874	1.4
59.01384	2.7
61.98827	100.0
62.64285	1.5
69.34527	11.7
76.86782	1.5
77.67187	1.3
81.17796	1.3
83.01385	6.2
84.01718	1.5
89.88737	1.2
121.02962	1.6
121.98978	1.5
127.78985	1.4
136.05222	1.4
261.59940	1.5
317.64227	1.5
372.15295	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	7.4
61.98829	100.0
62.56291	1.8
71.01389	2.5
71.52245	2.0
76.46269	1.5
83.01390	13.1
87.00880	5.0
95.29058	1.6
95.67017	1.9
100.70560	1.7
106.78145	1.8
108.74858	1.7
121.02919	3.3
161.02434	2.4
169.93707	1.7
191.51956	2.2
201.05168	2.4
215.06714	1.7
225.11176	1.8
230.09164	3.2
271.73969	1.8
273.57919	1.9
372.15332	11.7
372.24500	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01715	0.7
61.98831	100.0
69.03497	0.8
70.27050	1.5
70.27404	2.4
83.65758	0.8
92.97996	0.8
93.69199	0.8
259.13995	0.8
316.70123	0.9
342.66098	0.7
369.03531	0.9
378.29559	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	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85372	1.0
61.98828	100.0
69.77356	5.1
164.25391	0.9
181.66914	0.9
226.47289	1.0
233.56743	0.9
309.09991	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98828	100.0
69.16483	3.2
69.16889	0.7
83.01386	0.9
85.11017	0.4
113.04684	0.4
123.90678	0.4
170.68962	0.4
372.15625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0928
Annotation	Clinopodic acid B
Peak:m/z	Relative Intensity
50.29635	0.6
59.01381	5.2
61.98816	2.3
71.00116	1.4
71.01376	3.2
72.99310	13.5
73.02930	1.4
75.00857	2.3
83.01361	1.1
85.02939	1.8
87.00876	1.5
96.95995	1.5
97.02914	0.8
99.00887	1.2
101.02409	1.3
105.01932	29.9
106.02193	0.6
109.02934	3.9
111.00923	1.2
111.08115	0.6
115.00355	2.1
115.11700	0.6
117.03471	1.5
121.03030	0.9
122.03740	0.6
123.04508	1.3
132.02185	2.3
133.02951	23.7
134.03764	12.1
135.04549	7.9
137.02431	1.0
139.04013	1.1
139.84700	0.6
142.62738	0.6
145.01434	9.0
145.02989	1.8
146.03645	0.6
149.06079	1.5
150.03226	10.6
153.02028	0.7
160.01680	1.6
161.02434	100.0
162.02786	5.6
165.05537	6.0
169.12329	1.0
171.10281	2.4
173.02405	0.6
175.03981	2.0
178.02681	1.3
179.03510	3.5
193.05058	12.5
195.13884	1.8
197.04532	1.6
197.11815	4.4
203.03513	0.7
205.04980	2.9
206.05313	0.8
207.05621	1.7
211.04095	2.2
211.06093	38.6
211.13400	0.7
212.06541	1.9
213.05583	0.6
217.05067	0.7
225.05605	2.2
226.06111	0.8
227.03499	1.6
235.13402	0.8
239.03517	1.1
239.12842	3.2
240.04240	2.7
243.06732	0.7
251.12924	0.7
253.05121	3.2
254.05832	1.5
264.04150	0.9
265.14490	1.9
267.12451	1.0
269.04443	1.0
270.05249	0.9
281.04584	1.8
282.05341	0.8
283.11862	4.2
285.13513	2.6
293.13788	1.0
295.06049	1.7
296.06934	1.7
297.13510	0.7
309.13550	1.6
311.11661	1.0
313.07272	2.5
315.14517	2.9
325.13016	1.3
327.14294	2.8
328.14847	0.6
329.09454	1.1
337.12915	1.2
341.06589	0.9
343.14008	1.4
355.13849	0.9
373.09344	31.5
373.14972	3.3
373.25812	5.4
374.09451	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	373.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65227	0.7
59.01383	5.9
59.14511	0.6
61.98819	1.7
69.39635	2.8
69.40056	1.0
71.01377	4.8
72.62245	0.5
72.99309	14.8
73.02946	1.7
75.00868	2.8
77.03945	0.8
85.02973	1.6
87.00872	2.0
96.95998	1.2
97.02944	1.1
98.19898	1.1
99.00880	0.8
105.01933	36.6
106.02269	0.7
109.02972	5.4
110.11375	0.6
111.00885	1.5
111.04511	0.8
113.02445	1.0
114.42566	0.6
115.00346	2.2
117.03436	1.0
122.03824	0.6
123.04546	1.4
125.02464	0.6
132.02182	1.9
133.02954	23.6
134.03761	10.8
135.04535	9.1
136.04871	0.8
137.02449	0.9
139.04021	1.9
143.87598	0.6
145.01416	10.4
145.02931	1.7
149.06104	1.2
150.03215	9.5
160.01668	1.5
161.02435	100.0
162.02788	5.8
163.04044	1.0
165.05531	5.9
169.12373	1.6
171.10291	2.0
173.02364	1.1
175.04008	2.3
178.02687	1.7
179.03534	4.1
183.04494	0.8
189.01836	0.7
193.05042	12.0
194.05486	0.8
195.13896	2.4
197.04494	1.7
197.11827	5.2
199.13300	1.0
203.03603	0.9
204.04288	0.8
205.05029	2.9
206.05424	1.7
207.05696	1.3
209.06174	0.8
211.04103	2.4
211.06094	42.4
212.06494	2.0
223.13274	1.0
225.05550	2.4
225.11287	1.5
227.03589	1.5
228.04146	0.6
235.13290	0.8
237.05594	2.1
237.14905	0.7
239.03616	1.2
239.12875	3.2
240.04283	2.2
241.04921	1.0
247.13483	0.8
253.05009	3.4
253.14369	1.0
254.05830	2.0
255.02875	1.0
264.04236	0.7
265.05026	1.1
265.14389	1.4
267.06833	0.8
267.12357	0.9
269.04437	1.5
270.05261	0.8
280.03824	0.7
281.04590	2.0
283.11829	5.5
285.13403	3.5
293.13867	0.9
295.06134	1.7
296.06750	1.0
309.13559	1.6
311.05646	1.0
313.07184	2.3
315.14529	3.0
325.12857	1.8
327.14514	4.7
337.12930	2.1
341.06464	0.9
343.14023	2.0
355.13864	2.3
373.09280	30.5
373.14999	3.6
373.25864	8.4
374.09561	3.3
374.15134	1.0
374.26163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09638	2.1
57.03462	2.7
59.01380	61.2
61.98816	3.6
70.39434	2.1
71.01385	11.3
71.28736	4.3
72.99306	29.1
73.02943	5.5
75.00872	9.2
85.02976	5.3
86.03990	2.5
87.00862	5.9
87.97398	2.0
97.02934	2.6
101.02477	3.3
105.01933	100.0
109.02922	10.5
109.06550	3.0
111.00943	2.2
113.02427	3.0
115.00389	6.4
119.77146	2.2
145.01442	26.5
161.02478	3.9
169.12334	4.4
171.10265	6.9
183.04445	2.5
194.59879	2.3
195.13853	6.3
197.11804	16.5
201.11189	2.4
202.90067	2.3
211.03984	4.1
211.13228	3.3
213.11366	2.6
223.13393	2.7
225.05652	3.1
225.11435	4.4
225.14955	41.4
227.03435	3.2
227.12904	3.7
229.01349	2.4
235.13281	3.7
239.12875	10.2
240.04298	5.9
243.06686	3.7
247.13347	4.0
253.05141	7.2
253.14485	3.1
254.05818	4.0
265.14490	7.0
269.04492	2.8
269.13916	8.2
281.04559	6.6
283.11917	18.2
285.13510	10.0
295.06076	3.3
296.06870	2.9
309.13290	4.4
313.07114	6.8
315.14609	11.8
325.12997	6.5
327.14447	12.3
329.16098	3.3
331.17621	3.0
337.13080	6.8
343.14005	5.5
373.09280	77.7
373.14841	8.0
373.25818	14.2
374.09631	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	373.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42719	1.1
57.03439	2.5
58.00592	3.3
59.01387	6.0
61.98828	1.9
69.14246	2.3
69.14669	6.6
71.01379	2.7
85.06597	1.0
87.00887	1.4
97.06631	4.6
101.06087	3.9
104.52842	0.9
109.06586	8.5
110.06858	1.0
121.06618	1.5
123.08130	4.5
125.06086	1.5
125.09732	31.8
126.10114	0.8
127.07652	100.0
127.11296	3.5
128.08000	5.0
133.55624	0.9
139.07645	3.3
139.11308	1.2
141.09250	2.7
142.73682	1.0
153.05597	1.2
155.10767	1.7
165.09251	1.3
171.06622	51.7
171.10254	14.1
172.07013	2.0
185.08241	3.1
185.11647	1.2
187.09741	22.9
201.11317	37.6
202.11661	1.9
203.09241	1.4
213.11276	1.3
215.12900	2.3
257.17493	2.1
285.17126	1.3
293.17657	3.0
311.18878	1.2
325.23761	1.6
337.16495	1.4
343.24792	1.7
355.17679	2.1
362.78210	1.0
366.35455	0.9
373.18686	29.5
373.25827	23.0
374.13138	0.8
374.18942	4.2
374.26117	4.7
386.32681	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02721	0.3
56.92019	0.2
57.03447	2.8
58.11607	0.3
59.01376	1.9
61.98812	0.3
69.03431	0.3
69.75568	1.4
73.27443	0.3
83.05021	0.7
85.02947	0.6
87.04504	0.5
90.46889	0.3
93.07093	1.6
96.96018	0.4
97.06579	0.8
98.26668	0.3
99.08170	0.3
109.06538	0.3
119.05034	0.6
121.02931	0.8
123.08128	0.4
125.09615	0.3
139.11284	1.1
141.12831	0.4
149.09758	0.5
151.11305	0.5
171.10161	0.4
183.13879	2.2
185.11809	8.4
199.13368	1.0
201.14871	0.4
225.14938	2.6
255.80588	0.3
256.66086	0.3
257.21243	0.3
265.18033	0.8
285.20688	7.9
286.20990	0.6
295.22519	0.3
297.24289	1.0
311.22263	1.2
313.23782	3.1
314.24185	0.4
325.23816	7.9
326.24127	0.7
327.25378	0.7
337.23792	1.2
343.24744	2.7
344.25125	0.6
355.24933	1.7
373.25903	100.0
374.26251	11.9
392.32928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.259
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03443	1.2
58.00579	0.5
59.01384	0.9
61.98807	0.4
63.57430	0.1
69.03448	0.3
71.01385	0.3
71.05009	0.4
72.99306	0.2
73.02937	0.6
83.05007	0.2
85.02940	0.2
85.08794	0.1
87.04510	0.7
97.06598	0.9
109.64236	0.1
111.08128	0.2
113.09706	0.4
121.10228	1.0
123.08168	1.5
125.09713	1.0
127.07647	1.0
127.11305	0.2
137.09702	0.4
139.11282	1.8
140.11584	0.2
141.09203	0.6
141.12854	0.6
151.11215	0.3
155.10771	0.4
157.12340	1.6
167.10701	0.3
169.12308	0.9
169.51944	0.1
169.87573	0.1
171.06595	0.4
171.10260	0.4
171.13927	0.3
179.10776	0.2
184.22879	0.1
185.11806	7.4
186.12180	0.4
187.09718	0.2
201.11301	0.3
213.11264	0.5
214.12123	0.9
215.12865	8.2
216.13293	0.6
293.17352	0.1
295.22678	0.2
303.01999	0.1
307.22870	0.4
313.23825	1.2
325.23962	0.8
327.21747	0.2
337.23801	0.2
341.23120	0.6
343.24832	6.2
343.29105	0.3
344.25171	0.6
345.20743	0.4
355.24890	2.5
356.25259	0.3
371.24384	1.7
372.24844	0.2
373.25894	100.0
374.26242	12.1
377.81003	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	373.2594
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03439	0.8
58.00589	0.7
59.01374	0.5
69.15545	0.7
69.15956	2.6
73.02936	0.4
87.04514	0.9
97.06586	0.7
98.19965	0.9
98.20611	0.6
121.10230	1.0
123.08157	1.0
125.09728	1.1
137.09712	0.8
139.11284	2.2
141.12813	0.7
155.10831	0.3
157.12337	2.2
169.12326	0.8
171.13908	0.4
185.11804	5.2
197.11720	0.4
213.11333	0.5
214.11984	0.4
215.12877	9.6
216.13277	0.6
290.40421	0.3
295.22720	0.4
307.22668	0.4
313.23788	1.4
325.23801	1.4
341.23291	1.0
343.24863	8.4
344.25208	1.1
355.24838	2.8
356.25037	0.3
371.24161	1.7
373.25903	100.0
374.26279	12.1
386.20892	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66331	0.4
57.03443	1.6
59.01396	0.4
60.27588	0.4
61.79874	0.4
61.98814	1.3
70.26693	1.8
97.06602	1.2
113.09706	0.9
123.08165	3.0
128.40800	0.5
138.93877	0.4
139.11247	1.9
141.09229	1.2
157.12320	1.2
168.06412	0.4
185.11816	10.8
186.12158	0.5
214.12114	1.6
215.12724	0.8
223.87444	0.5
241.41989	0.5
267.19565	0.6
327.21884	0.9
355.24979	0.9
369.28925	0.5
371.24384	1.3
373.25903	100.0
374.26260	11.7
395.40698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01423	2.5
61.98820	2.8
66.03499	3.9
71.50121	3.6
76.96474	2.5
82.02995	7.4
88.03996	2.3
110.02478	49.9
111.01990	17.0
115.42141	2.3
122.02429	4.8
130.08740	82.2
140.03535	7.5
152.03532	8.6
153.03114	3.1
196.04286	2.3
200.05652	21.5
208.24658	1.9
243.06218	100.0
244.06467	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50157	0.4
61.98828	100.0
69.82573	3.0
70.99437	0.5
74.00874	0.5
75.44556	0.5
98.20592	0.6
234.83466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
70.18117	3.2
80.26411	1.3
98.19949	1.4
100.40549	1.1
104.59085	1.2
112.55460	1.3
155.49214	1.2
357.89890	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.8
61.98829	100.0
71.09589	1.0
71.09916	0.5
112.28371	0.6
123.98873	0.5
124.73165	0.5
126.74301	0.5
150.05525	0.5
175.35226	0.5
220.65282	0.4
288.00275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.3
61.98827	100.0
63.99253	1.0
69.02075	0.8
69.76244	1.2
69.76645	2.4
73.59793	0.7
98.19963	0.8
133.25246	0.7
242.92725	0.7
244.12071	0.7
283.79709	0.8
284.95044	0.7
315.57449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05458	0.9
57.99511	0.8
59.01382	1.5
61.98830	100.0
64.92919	1.0
67.45029	0.9
68.28780	0.8
70.99669	2.2
80.22660	0.7
88.36019	0.8
227.93611	0.9
315.95602	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	1.3
61.98827	100.0
63.99253	1.0
69.02075	0.8
69.76244	1.2
69.76645	2.4
73.59793	0.7
98.19963	0.8
133.25246	0.7
242.92725	0.7
244.12071	0.7
283.79709	0.8
284.95044	0.7
315.57449	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58484	0.7
59.01366	0.9
61.98827	100.0
68.53357	0.8
69.91683	0.8
70.02579	3.7
101.06085	1.0
120.43265	0.8
125.87589	0.8
232.10791	2.8
317.21198	3.4
374.24435	30.7
375.16949	3.2
375.24884	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	374.9866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51749	0.5
50.96604	0.5
59.01377	100.0
60.01707	0.7
61.98827	1.6
63.46253	0.6
70.54863	0.5
71.01380	0.8
71.51198	0.9
72.16798	0.5
78.95912	1.3
96.43257	0.5
99.74561	0.6
99.92602	0.9
103.92039	2.1
129.06360	0.5
130.18741	0.5
130.94296	0.5
132.98250	1.3
148.95396	0.6
157.03560	4.2
159.01501	2.0
166.91068	2.5
166.93884	1.9
174.99237	14.2
188.98628	1.0
198.71271	0.5
201.02544	60.6
201.94437	1.3
202.02715	7.2
202.92700	0.7
202.96429	1.0
203.02324	1.0
209.07588	0.6
210.89862	3.6
210.92809	7.0
217.00279	51.4
218.00638	1.8
232.97525	8.3
292.16803	0.6
292.90686	0.6
374.99216	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	375.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.0
61.98822	1.3
67.01883	0.8
69.45791	0.5
71.01387	0.9
71.51229	0.7
72.99303	7.1
73.02948	1.1
74.02477	2.9
75.00878	1.6
78.61127	0.5
81.03457	7.1
85.02953	1.0
87.00842	0.9
89.02486	0.6
93.03455	1.3
96.96001	0.7
97.02933	0.7
101.02450	1.1
104.03529	0.8
105.01951	1.9
105.03456	2.2
107.05025	1.0
108.02160	0.6
111.04468	0.5
113.02479	1.0
116.03514	1.0
119.05030	35.8
120.05357	1.6
121.02979	1.7
123.04533	12.6
125.06084	1.2
133.03021	0.7
134.03749	1.1
135.04533	17.8
136.04851	1.3
146.04608	0.5
148.89482	0.6
149.02454	5.8
161.02420	1.9
163.04010	37.2
164.04344	2.3
167.03517	4.1
171.10278	0.8
179.03572	1.2
180.09116	0.5
181.05067	100.0
182.05391	4.9
193.01462	0.7
197.04607	0.8
209.11732	1.0
211.02484	1.0
227.12909	0.6
331.08273	0.7
375.12112	1.3
375.19440	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	375.1309
Annotation	(-)-Riboflavin
Peak:m/z	Relative Intensity
52.14658	0.3
58.05183	0.3
59.01107	0.5
59.01377	5.9
61.98830	2.0
71.01373	2.5
71.51336	0.3
72.99302	0.9
73.02945	0.5
74.02472	7.2
74.73401	0.3
81.03496	0.3
83.01385	0.6
84.25673	0.3
85.02949	1.1
87.00830	0.4
89.02447	2.1
93.03495	0.3
96.96004	0.5
98.51140	0.3
101.02439	3.0
102.05602	1.1
103.05933	0.3
109.02942	0.3
113.02433	0.8
119.03481	0.8
119.05026	1.4
121.02938	0.4
121.05823	0.3
123.04531	1.4
128.03568	0.6
130.08742	0.4
135.04489	1.5
144.08154	1.5
145.07706	0.8
146.04614	2.0
147.04877	1.0
149.02464	0.5
149.80949	0.3
161.04533	0.5
163.03987	1.6
167.03448	0.5
169.07706	0.8
176.11613	0.4
181.05031	3.0
184.08792	3.0
185.07201	0.7
197.05980	1.6
198.06688	3.4
209.11877	0.3
212.08282	21.9
213.08635	1.6
224.08284	0.4
229.04846	0.4
238.28479	0.3
240.06523	3.1
241.07285	11.2
242.07568	0.7
255.08855	100.0
256.09183	8.9
257.10428	1.2
290.29214	0.3
331.17221	0.4
341.11462	0.4
357.15555	1.1
375.07230	0.7
375.12949	6.2
375.16736	3.8
376.13068	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.6
57.03442	3.6
58.00598	4.1
59.01379	100.0
61.98825	3.9
69.03472	1.8
69.25636	10.9
71.01379	53.8
71.05038	1.3
72.99307	5.3
73.02927	2.3
75.00851	2.6
78.08294	1.3
83.01386	3.0
83.05025	2.1
85.02943	11.2
87.00880	3.7
89.02443	55.5
90.02776	1.5
95.01388	3.3
95.05029	5.8
97.06586	4.0
101.02435	30.4
105.01931	2.3
107.05012	6.9
109.02943	3.3
113.02449	16.2
115.03981	1.3
115.07646	6.2
119.03495	20.8
123.08161	3.0
125.09710	1.8
126.76709	1.2
131.03537	1.9
133.02963	1.6
135.04495	3.3
135.08212	1.5
136.05316	2.8
137.02428	1.8
139.11298	3.9
143.03520	2.6
145.01395	3.1
145.02859	2.0
147.01900	2.2
149.09721	1.4
151.11275	42.2
152.11630	2.4
153.09148	1.4
153.12949	1.8
161.04550	2.2
164.08354	1.7
167.10794	1.9
169.12332	4.9
171.10123	1.5
173.02478	2.2
177.09166	7.3
179.05548	6.6
183.13864	3.1
185.11755	3.4
191.03479	2.4
193.12357	6.4
195.10249	90.0
196.10593	4.0
197.11894	1.9
199.66481	1.3
209.11800	1.4
211.13373	6.4
213.11339	18.3
217.10762	4.5
243.12566	1.2
255.12430	3.5
273.16980	3.0
296.11832	1.5
315.17902	3.2
332.78168	1.5
333.19125	3.9
333.62158	1.4
375.15067	2.6
375.19733	5.2
375.23953	19.2
376.24194	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74056	0.5
68.51753	0.6
69.61087	3.6
74.99080	3.2
75.96193	0.7
93.00145	0.6
96.42211	0.7
99.00344	0.6
143.05388	0.8
159.08461	11.0
161.06380	3.3
203.89661	0.6
209.01250	2.0
217.07169	1.4
242.62733	0.5
261.04276	0.8
270.77768	0.6
277.07492	2.4
289.07477	1.7
291.09091	96.3
292.09192	13.9
309.10162	1.2
325.01474	0.6
357.13617	1.9
357.89435	0.6
359.15320	100.0
360.15488	17.3
375.18515	10.4
376.18759	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00816	0.6
53.08305	0.7
54.32156	0.7
57.28078	0.7
67.33839	0.6
70.64555	0.7
71.44198	1.3
73.66508	0.7
74.99086	2.5
93.00185	0.8
98.20369	1.2
100.50623	0.7
159.08472	9.7
161.06387	2.1
169.13498	0.7
209.01273	1.9
217.07251	0.7
237.22897	0.7
273.81384	0.7
275.05826	0.9
277.07571	2.2
279.23349	0.9
289.07620	2.0
291.09097	97.1
292.09225	13.7
357.13696	1.9
359.15329	100.0
360.15515	16.8
360.20044	0.8
375.18457	9.6
376.18619	2.6
386.18494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20505	2.1
59.01374	23.1
61.98837	4.3
80.91707	3.6
83.09313	2.0
95.05024	40.0
95.30614	2.3
99.92572	4.3
115.92070	2.8
193.62518	2.2
195.13866	11.1
223.13412	9.2
241.66629	2.3
246.12338	12.0
256.13287	2.2
275.20111	6.0
278.11337	80.5
278.14401	4.8
279.11670	5.5
293.21201	100.0
294.21597	10.6
315.19327	21.6
338.12463	2.5
358.12454	3.2
375.12677	3.2
375.21436	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	375.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67436	0.1
57.03446	1.1
58.00597	0.3
59.01365	0.5
61.98809	0.3
69.03454	0.3
70.26401	0.2
70.26756	0.5
71.01389	0.2
71.05013	0.2
73.02941	0.3
85.02985	0.2
87.04525	0.6
97.06588	0.5
99.08132	0.2
101.08975	0.1
108.08175	0.1
109.06590	0.7
111.08136	0.2
113.09689	0.3
123.08154	1.2
134.03848	0.1
135.08218	0.3
138.06924	0.3
139.11295	1.0
141.09227	0.5
141.12842	0.6
151.11209	0.2
153.09169	0.8
156.84059	0.1
157.12331	1.9
169.12277	1.1
171.13861	0.2
185.11818	2.4
186.12160	0.2
187.41649	0.1
213.11333	0.2
214.12108	0.1
215.12843	1.6
251.20183	0.2
263.58041	0.2
293.21133	0.2
309.24402	0.2
311.22214	0.5
312.22400	0.1
327.21707	0.4
327.25452	0.6
329.23285	2.5
330.23514	0.3
339.25400	0.5
341.35938	0.1
355.24899	0.3
357.26437	3.5
358.26703	0.4
368.15527	0.2
373.25916	2.9
374.26044	0.3
375.27466	100.0
376.27817	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
58.00581	0.4
59.01365	0.2
61.98803	0.1
69.03455	0.3
69.46124	0.2
69.46524	0.6
70.78635	0.1
71.01405	0.2
71.05024	0.1
73.02941	0.5
76.35361	0.1
83.05018	0.2
87.04505	0.9
88.04845	0.1
97.06580	0.7
101.06049	0.2
108.08801	0.1
109.06573	0.5
111.04479	0.1
111.08160	0.2
113.09708	0.3
123.08183	1.0
125.09726	0.3
127.07668	0.2
135.08167	0.5
138.06839	0.2
139.11282	0.9
141.09230	0.3
141.12871	0.6
151.11281	0.3
153.09241	0.5
157.12347	1.6
158.12677	0.1
161.02365	0.2
164.70262	0.1
169.12344	1.2
185.11836	2.4
186.12198	0.1
214.12112	0.2
215.12886	1.6
224.33542	0.1
251.20064	0.4
264.30685	0.1
287.22180	0.2
293.21060	0.3
309.24503	0.2
311.22223	0.5
327.21655	0.4
327.25443	0.5
329.23334	2.7
330.23618	0.3
339.25354	0.8
341.23663	0.2
355.24750	0.2
357.26407	3.5
358.26776	0.4
373.25980	2.6
374.26105	0.3
375.27475	100.0
376.27823	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.1
61.98828	47.1
69.91246	1.5
109.02940	0.9
112.74603	0.3
113.51199	0.3
123.04523	2.6
130.57277	0.3
131.78813	0.3
133.02951	18.6
134.03281	0.7
135.04517	0.3
149.02574	0.3
150.03256	0.6
151.03993	5.1
159.04504	0.5
161.02434	100.0
162.02773	5.8
212.39334	0.3
269.08167	2.4
307.20126	0.3
313.07153	24.1
314.07547	2.8
375.27151	1.6
376.27420	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	376.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01381	10.8
61.98829	80.8
71.01402	2.3
78.95905	1.2
80.96497	2.3
83.05067	0.9
94.50431	0.9
97.06603	1.2
101.02431	1.5
101.08794	0.8
123.04523	4.0
123.08212	1.7
133.02951	17.7
134.03300	0.8
135.08107	1.0
143.79744	1.1
150.03258	0.9
151.04024	6.5
152.09009	0.8
152.99562	2.5
153.09175	1.4
157.12318	2.0
158.12624	1.4
161.02438	100.0
162.02795	6.3
169.12384	1.1
179.03511	6.9
185.11882	4.4
215.12790	2.1
240.99785	1.0
297.07806	0.9
313.07169	25.8
314.07489	2.5
329.23343	3.0
330.23547	1.6
339.25269	1.2
341.07007	1.1
341.10941	3.1
341.19644	3.6
357.26379	4.1
358.26868	2.1
373.26041	2.2
375.27463	95.8
375.64304	1.7
376.27817	70.9
377.08670	2.1
377.28159	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	376.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17071	0.7
59.01376	2.1
61.98828	100.0
64.89925	0.7
69.69624	4.0
96.96033	0.9
144.24518	0.7
150.95322	0.8
161.02470	1.1
198.45731	0.9
213.82773	0.8
305.90872	0.9
377.08426	1.4
393.65216	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63880	0.4
58.19461	0.3
59.01382	3.9
60.86652	0.3
61.98818	0.8
71.01387	1.6
72.99304	1.5
74.02449	0.5
84.76640	0.3
85.02901	0.3
89.02431	2.3
92.77461	0.3
96.95992	0.4
98.19905	1.0
99.17910	0.3
101.02468	0.9
107.05025	0.4
109.02923	0.4
113.02442	0.9
119.03477	0.8
119.80502	0.3
121.06575	1.3
123.04480	0.9
134.03737	1.4
135.04520	100.0
136.04836	4.4
137.02342	0.4
151.03983	1.5
153.09309	0.4
153.17360	0.3
161.01297	0.3
161.02405	1.9
173.04492	0.5
179.03505	8.0
179.05524	1.1
197.04529	2.0
208.08968	0.3
214.60728	0.3
215.03291	1.0
215.09245	1.0
220.04256	0.4
234.36118	0.3
278.61212	0.3
289.11536	0.4
297.09799	5.8
298.10031	0.6
341.08350	16.6
342.08588	1.7
347.07724	0.9
359.23541	0.4
377.08102	3.5
377.14291	0.8
378.08853	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.142
Annotation	Go 6976
Peak:m/z	Relative Intensity
52.32038	0.4
59.01360	0.5
61.00050	0.5
61.98822	1.5
63.56815	0.4
69.79226	0.4
84.93876	1.1
85.31168	0.4
96.56444	0.5
99.92580	82.9
100.90466	0.7
100.92594	4.4
100.93367	3.2
115.91226	1.0
115.92078	41.1
116.92857	100.0
117.92865	5.6
121.77018	0.4
142.94417	0.5
200.33940	0.5
254.77638	0.5
277.21716	0.8
282.05576	0.6
290.06000	0.8
299.05835	1.0
308.07089	2.1
309.07797	0.6
315.14474	0.6
333.15274	1.3
359.13190	2.0
361.10736	0.5
373.11160	3.4
377.14233	53.6
378.14441	9.0
391.12131	5.3
392.12393	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.6
60.99309	11.9
61.98847	3.1
71.01379	5.6
71.52194	2.6
72.99312	2.9
75.00886	2.3
80.32342	1.4
80.47874	1.4
82.90946	1.5
88.98804	100.0
89.02469	4.5
89.99136	1.6
93.03470	2.2
96.96043	3.0
97.66043	1.6
101.02451	3.1
107.27720	1.3
113.02464	1.7
119.03494	2.5
119.05080	1.6
120.99663	6.1
135.04538	2.5
157.49092	1.5
161.02512	1.7
173.04494	2.0
209.11772	10.7
215.03278	4.2
225.14938	1.8
227.12895	6.2
251.94054	1.6
287.14969	21.7
341.07108	2.9
341.10846	17.5
377.08871	11.7
377.16269	7.9
377.25180	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	377.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.6
60.99309	11.9
61.98847	3.1
71.01379	5.6
71.52194	2.6
72.99312	2.9
75.00886	2.3
80.32342	1.4
80.47874	1.4
82.90946	1.5
88.98804	100.0
89.02469	4.5
89.99136	1.6
93.03470	2.2
96.96043	3.0
97.66043	1.6
101.02451	3.1
107.27720	1.3
113.02464	1.7
119.03494	2.5
119.05080	1.6
120.99663	6.1
135.04538	2.5
157.49092	1.5
161.02512	1.7
173.04494	2.0
209.11772	10.7
215.03278	4.2
225.14938	1.8
227.12895	6.2
251.94054	1.6
287.14969	21.7
341.07108	2.9
341.10846	17.5
377.08871	11.7
377.16269	7.9
377.25180	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	377.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	18.9
59.31676	1.8
60.53154	1.5
61.98814	2.6
65.54737	1.6
71.53034	1.8
72.18306	1.5
77.32465	1.4
78.95899	2.8
89.29472	1.5
94.39310	1.5
95.05007	5.5
96.95978	2.0
113.09718	2.7
149.56923	1.5
166.33382	1.5
195.13893	21.3
196.14067	1.7
218.67664	1.7
273.22092	2.4
277.21719	16.0
278.11295	4.7
295.22757	100.0
296.23163	10.7
307.87000	1.7
317.20996	59.3
318.21198	5.9
341.10828	4.7
361.19751	5.2
377.08554	3.5
377.22922	9.0
378.23001	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	378.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.5
61.94329	0.3
61.98827	100.0
70.98990	0.5
70.99338	0.5
72.67355	0.3
73.45973	0.4
79.46469	0.3
82.22075	0.3
90.98521	0.4
108.11472	0.3
108.17858	0.4
120.28268	0.3
129.05565	0.5
136.12120	0.3
153.05598	0.8
379.12646	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08511	0.3
59.01384	3.1
61.98829	100.0
62.98513	0.3
71.01381	0.8
71.52058	0.5
72.99323	0.6
78.72696	0.3
89.02433	0.4
93.03434	0.3
96.95997	0.4
109.02941	0.3
119.05023	1.2
120.30345	0.3
133.02994	0.6
135.04517	2.9
146.04549	0.4
161.02478	1.6
163.04047	0.8
171.10289	0.8
179.03503	1.5
200.51317	0.3
209.11909	1.2
237.50851	0.3
285.13565	1.0
291.19772	0.9
315.14468	4.8
316.14926	0.7
335.18802	0.8
341.11200	0.5
342.11380	0.6
343.21283	0.6
378.15921	0.7
379.08426	0.5
379.17413	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	378.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45541	0.5
54.39458	0.4
59.01365	2.4
60.19294	0.5
61.98830	100.0
71.01400	0.8
71.52258	0.7
71.52642	0.5
75.00892	2.1
76.01194	0.5
80.96485	0.5
81.25015	0.5
91.38902	0.5
107.34517	0.5
115.00354	0.5
120.17471	0.5
135.04541	1.0
143.99072	0.5
179.10828	1.5
197.11823	10.1
197.13518	0.6
198.12122	0.7
209.11810	1.1
219.30962	0.5
241.10892	1.5
258.11215	0.6
315.14438	15.6
315.17914	1.0
316.15039	1.9
341.10837	1.0
342.11066	0.8
378.09140	0.6
378.16571	0.6
379.08405	0.8
379.17636	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	379.1578
Annotation	DMH-1
Peak:m/z	Relative Intensity
76.83230	0.5
77.62210	0.5
84.93870	0.9
98.20648	1.4
99.92580	72.7
100.92698	3.6
100.93365	3.4
115.92072	36.5
116.92855	100.0
117.92887	5.8
117.93665	1.0
135.62025	0.5
201.21062	0.5
317.15564	0.6
335.16797	1.7
361.14914	0.6
375.12680	2.1
379.15790	78.0
379.28708	1.7
380.16031	12.4
393.13657	3.7
394.14206	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03448	100.0
58.03784	1.2
58.46041	1.2
59.01379	85.2
61.98827	3.6
62.52530	1.1
69.39320	8.2
71.01383	16.9
73.02931	5.3
75.37993	1.0
78.95895	4.5
81.03456	2.2
83.01388	3.9
85.02959	8.2
88.78619	1.0
89.02427	3.3
94.38058	0.9
96.96974	6.2
99.00860	2.3
99.04517	78.9
100.04858	2.5
101.02444	31.8
108.55405	1.1
113.02439	8.8
119.03458	1.6
125.02447	22.4
126.02872	1.1
135.04521	2.5
143.03506	2.5
155.10768	11.4
157.08690	14.8
159.02968	1.8
161.04579	6.3
173.04549	1.8
199.09756	3.9
202.08788	1.3
217.10803	22.2
235.11865	23.9
236.12152	2.5
259.11749	3.7
260.80063	1.2
277.12827	2.4
281.13898	2.0
285.08676	3.1
307.24149	1.1
317.16034	2.6
319.13885	8.0
341.11029	5.8
379.08249	4.0
379.15750	9.9
379.23300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33757	0.8
55.01894	1.2
55.56875	0.8
57.03446	100.0
58.03770	1.8
59.01378	67.5
60.01704	0.8
61.32336	0.7
69.26618	7.4
71.01376	10.6
73.02940	4.6
79.40255	0.8
81.03446	1.1
83.01389	3.5
85.02946	6.9
89.02445	1.9
97.86700	0.8
99.00893	2.0
99.04517	68.4
100.04846	2.5
101.02440	32.4
101.03111	1.6
101.63488	0.8
105.90472	0.8
113.02454	7.2
125.02444	18.2
143.03413	1.8
159.03018	1.5
161.04526	5.5
194.61642	0.9
225.95889	0.7
235.11853	29.7
236.12283	2.0
250.32794	0.8
277.12842	2.9
317.15976	2.1
379.16003	4.5
380.16174	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.6
57.03447	100.0
58.03778	2.6
59.01375	75.7
63.03791	1.2
64.20428	1.1
69.35474	8.8
71.01377	8.9
73.02950	6.6
81.03468	1.8
83.01389	4.0
85.02956	7.9
89.02450	1.7
99.00847	1.7
99.04517	67.9
101.02441	33.7
113.02421	3.9
125.02464	18.5
143.03499	1.7
148.70125	1.2
161.04549	5.2
163.84610	1.3
201.11243	3.3
209.11784	6.6
235.11848	30.3
236.12352	1.5
277.12827	2.4
379.16034	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	379.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76489	0.8
59.01378	7.2
61.98823	2.4
62.37602	1.0
64.13249	0.9
71.05010	5.2
80.02673	0.9
83.05011	1.6
95.05039	2.7
98.03732	1.4
106.04248	1.2
109.06594	12.1
110.06924	1.0
111.04514	4.5
111.08160	1.5
121.02985	1.1
123.08130	1.2
124.75557	0.8
126.55951	1.2
127.07610	2.3
132.66895	0.9
135.04503	1.6
135.08180	1.1
137.09689	1.2
145.06552	1.5
149.09740	1.1
161.02493	2.1
167.10631	1.3
173.04561	1.3
179.03526	1.9
191.14336	1.4
195.13889	3.6
214.87895	1.2
230.30753	1.0
235.13347	1.4
245.19057	4.1
251.16382	1.1
271.16913	1.2
287.16425	2.0
288.13559	1.1
289.18082	100.0
290.18436	12.5
307.19193	8.6
379.21490	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	379.176
Annotation	Chaparrin
Peak:m/z	Relative Intensity
59.01368	1.8
61.98827	14.2
65.40833	0.5
69.31394	3.9
71.01383	0.8
71.05019	25.8
72.05366	0.5
98.94766	0.5
115.04007	0.9
128.89552	0.4
130.08743	0.9
133.03029	0.5
135.04521	0.8
152.99574	1.1
161.02412	0.8
168.06668	1.1
219.13881	28.8
220.14227	2.7
263.20096	1.2
264.12463	0.5
289.18082	2.2
291.19577	2.3
295.71933	0.5
299.16019	2.7
307.19131	25.0
308.19540	2.9
317.17587	9.8
318.17932	1.2
332.57504	0.5
335.18610	30.0
336.19089	2.8
341.10895	0.9
379.17578	100.0
380.17880	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.4
55.89999	1.2
57.03447	56.6
59.01380	100.0
61.98822	5.3
67.77105	1.2
69.25873	12.2
71.01369	10.8
71.62016	1.5
73.02940	9.7
83.01382	4.1
83.05018	2.9
85.02958	7.3
88.98801	4.3
89.02433	3.1
91.04006	9.5
93.03470	1.7
99.00868	3.5
99.04516	39.2
101.02451	23.5
113.02462	5.3
119.05042	2.9
125.02448	14.0
130.24084	1.3
135.04485	2.3
143.03496	1.5
161.04526	5.4
163.04085	3.4
173.04570	3.2
179.03625	1.6
183.10233	2.1
201.11322	43.3
209.11826	74.9
210.12105	5.7
215.05583	4.2
227.12909	4.8
231.09142	1.5
235.11880	19.9
245.09267	1.8
275.14957	2.3
277.12869	2.9
299.03030	1.2
319.17651	1.3
361.18646	4.3
379.10126	2.3
379.19833	41.7
380.20090	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	379.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08835	0.3
59.01377	100.0
60.01718	1.3
60.22399	0.4
61.98829	2.3
72.99290	0.4
85.02938	0.5
89.02460	0.5
98.19894	1.1
101.45422	0.4
106.24413	0.4
106.64174	0.3
109.00264	0.4
109.78511	0.4
115.25347	0.4
133.02937	0.5
135.04541	0.6
136.99190	0.5
151.00465	0.5
154.21791	0.5
160.53972	0.4
165.54703	0.4
179.03511	0.5
191.10689	0.4
246.74197	0.4
256.03806	0.6
284.03250	23.0
285.03616	2.0
299.05591	28.6
300.05966	3.0
341.10736	1.0
343.21460	1.2
379.01282	4.3
379.17575	0.8
380.01892	0.6
397.41324	0.4
398.62408	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	92.5
61.98830	100.0
70.07033	45.3
70.58620	11.7
78.79657	13.4
95.38509	10.0
130.65488	9.9
139.11285	11.8
152.08260	10.8
161.02438	22.5
171.10443	12.1
173.04555	12.8
179.03447	11.1
185.11757	19.1
190.85983	11.3
213.11292	63.1
215.12967	17.1
221.69431	10.8
258.52051	11.7
287.16589	13.1
305.18033	13.5
309.38708	10.6
379.21692	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
59.33983	0.6
60.01712	1.5
61.98833	4.6
71.20055	0.6
73.02888	0.6
74.60228	0.6
93.03466	0.9
98.19917	1.0
103.82556	0.7
125.09747	1.4
133.02988	1.0
135.04572	1.7
149.02480	0.6
161.02460	2.4
166.08258	0.7
171.10316	1.3
173.03313	0.6
173.04594	2.8
179.03560	1.7
201.11317	1.1
287.16812	0.7
301.20386	0.6
305.17477	0.7
307.19144	1.1
341.23505	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61790	55.8
57.08340	48.2
58.22772	57.4
61.98833	100.0
71.51998	64.0
78.81012	54.4
78.96090	54.3
83.49670	46.6
92.63666	53.2
97.13422	69.6
110.66518	48.9
187.12666	57.7
303.47708	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11142	0.6
53.47222	0.6
57.03445	1.0
57.94204	0.6
59.01363	2.9
61.98829	100.0
62.52902	0.6
71.01402	0.9
71.52125	0.7
72.99309	1.4
78.95927	0.9
83.05030	1.8
84.96445	0.6
85.48230	0.6
88.17925	0.6
96.96024	0.7
97.06627	0.8
101.02465	0.6
109.15063	0.6
115.07608	0.7
119.05123	0.9
123.04493	0.6
135.04495	3.8
137.02480	0.8
152.99583	1.4
158.33032	0.6
161.02403	0.7
173.04585	0.7
179.03542	0.9
183.06689	0.8
275.09171	0.8
317.16269	0.7
337.19992	0.7
351.18179	1.4
356.84454	0.7
363.18222	0.8
380.17511	1.3
381.19199	15.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45377	1.6
52.26389	1.6
59.01379	1.9
61.98829	100.0
71.53100	3.1
76.58771	1.6
78.95907	3.8
138.24680	1.7
152.99590	8.2
215.52484	1.9
320.22037	3.4
342.11029	2.7
360.60617	2.0
380.08868	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	380.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.25346	12.4
78.95882	1.9
99.90866	1.8
183.49120	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	381.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98825	0.3
67.22839	0.1
70.82842	0.2
77.03963	0.2
81.03468	0.6
85.42824	0.2
89.03964	1.9
93.03456	0.2
95.05032	0.3
104.02644	0.3
105.03455	3.6
121.02991	0.2
133.02951	8.6
134.03339	0.4
135.04527	0.6
148.01627	0.5
149.02448	1.1
152.99571	0.2
161.07292	0.3
176.01160	1.1
177.01920	100.0
178.02255	4.8
203.02428	0.1
204.07898	0.2
221.18851	0.2
226.52386	0.2
381.08243	6.4
381.19070	0.4
382.08511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.119
Annotation	Inumakilactone C
Peak:m/z	Relative Intensity
57.03440	0.8
59.01375	3.0
60.01678	0.5
61.44580	0.6
61.98830	7.0
65.03970	0.7
67.01894	9.7
69.03440	1.2
70.45782	0.6
71.01353	0.7
71.05021	2.1
71.52241	1.0
72.99305	1.4
78.69235	0.6
81.03452	1.4
83.05006	0.8
85.02981	0.6
87.00878	1.8
93.03458	1.1
95.05014	2.0
96.95995	1.4
97.02983	0.6
97.06593	1.8
97.17152	0.6
107.01379	0.8
107.05016	3.4
109.02966	6.4
119.05003	1.6
121.02951	6.4
121.04826	0.5
121.06609	0.8
122.03737	1.1
123.00916	1.7
123.04525	1.3
123.08115	1.2
125.02403	0.6
125.09723	8.7
130.57541	0.5
133.02930	1.7
134.03752	3.2
134.04599	0.6
135.04539	7.2
137.02437	1.4
139.03943	0.6
145.02936	1.8
149.09734	0.8
149.13304	0.9
151.00368	4.9
151.07635	1.0
153.01785	0.5
161.02454	6.0
161.09720	0.8
162.02734	0.6
163.07718	0.6
169.01360	1.1
175.11292	9.3
177.01962	1.5
177.12823	0.6
178.02733	2.0
179.03474	1.9
180.77090	0.5
181.05002	0.8
187.11256	1.4
189.12820	1.0
193.12306	11.5
197.04573	1.4
197.09744	0.7
199.11154	0.5
205.12296	1.8
208.03661	0.6
217.12292	8.9
218.12804	0.8
219.10252	16.0
219.12048	0.8
219.13853	1.5
220.10533	1.0
221.11739	1.2
233.11963	1.0
235.13380	1.3
237.11275	7.9
237.13448	0.9
249.11295	0.8
277.10782	14.0
278.11115	2.1
289.17938	2.5
291.19556	1.5
293.10275	11.4
294.10614	0.9
303.16046	1.6
305.10385	0.6
319.19101	2.9
321.09763	2.8
335.18549	1.2
337.19864	0.5
343.08261	1.4
363.18036	4.8
381.11884	100.0
381.19135	17.9
382.12225	11.9
382.19559	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	381.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
57.03447	94.4
58.03782	1.9
59.01377	100.0
60.01697	1.3
61.98836	2.5
66.68015	1.4
70.40060	4.6
71.01379	22.8
72.99292	1.4
73.02953	9.1
81.03434	1.8
81.15249	1.1
83.01373	4.4
85.02946	12.2
89.02435	4.0
95.01398	1.9
98.20602	1.6
99.00888	3.7
99.04514	89.8
100.04841	2.8
101.02440	42.4
113.02452	13.4
125.02447	35.9
143.03477	5.4
155.33377	1.4
159.02986	1.6
160.04033	1.4
161.04538	16.1
177.01923	11.9
184.06808	1.4
219.08681	2.4
219.12357	1.7
226.59206	1.2
237.09796	57.5
238.10150	2.8
279.10834	15.6
319.13943	2.8
363.18076	3.1
381.08670	2.3
381.13904	10.6
381.18817	23.5
382.19470	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92970	0.8
55.01879	2.2
57.03446	93.0
58.03775	2.5
59.01378	100.0
60.01715	1.8
61.98822	4.8
62.24347	0.8
69.30809	8.1
71.01378	22.2
72.99318	2.2
73.02950	8.1
74.43394	0.8
75.00864	1.8
81.03481	2.4
83.01388	3.6
85.02949	10.4
87.00879	3.5
88.98782	1.3
89.02448	4.2
93.03461	1.3
95.01374	1.9
96.95969	0.9
99.00900	2.7
99.04515	76.5
100.04848	2.5
101.02439	41.1
105.03490	2.0
113.02445	11.4
121.02966	1.2
123.50836	0.9
125.02446	21.6
131.05374	1.6
132.04527	2.1
133.02896	4.9
135.04533	3.5
138.05640	1.3
143.03445	2.1
158.06081	6.6
159.02939	1.5
161.02443	1.6
161.04570	7.9
163.03979	8.5
167.31451	1.0
167.67184	0.9
170.83807	0.8
173.04535	2.5
176.01129	1.0
177.01918	54.2
178.02272	3.3
179.03531	1.2
189.01945	1.2
191.05620	1.2
191.61662	1.0
202.05099	3.3
207.03003	2.2
208.80705	0.9
219.12442	1.1
220.08142	1.0
237.09781	28.1
238.10257	1.4
249.06134	2.2
255.76277	1.1
279.10928	3.8
280.60291	0.9
319.13974	1.3
321.15536	1.9
358.96066	1.1
363.16364	1.2
381.08234	4.4
381.13644	3.0
381.17801	18.7
382.11392	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	381.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03432	3.4
59.01378	17.7
61.98822	1.8
67.01897	1.4
68.99814	1.9
69.03455	1.1
69.37226	5.5
71.01380	15.9
71.52309	0.9
72.99296	5.7
73.02942	1.2
75.00869	37.4
78.95940	1.3
81.35268	0.9
83.01382	1.3
83.48954	0.7
85.02945	19.5
87.00860	5.6
89.02444	4.1
93.03429	1.8
95.01382	5.4
95.46806	0.7
96.96074	0.7
98.20586	1.7
99.00883	10.5
99.04500	1.5
101.02432	0.8
103.00368	2.0
111.04526	1.0
113.02444	25.5
113.92689	0.9
115.00399	2.0
115.92057	1.4
117.01943	3.1
129.01945	2.0
131.07138	100.0
132.07515	3.7
134.03752	0.9
135.04564	2.0
157.01398	1.0
173.04587	1.0
175.02466	2.4
177.01944	1.0
179.03560	1.0
189.04065	1.4
231.05061	5.6
249.06129	49.0
250.06564	2.5
267.07025	1.3
337.20532	0.8
363.12827	2.2
381.14029	81.1
381.19043	7.3
382.14545	8.1
382.19131	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.9
59.96717	2.1
60.97501	1.0
61.98822	2.4
71.07278	2.1
74.84350	0.9
74.99070	24.9
75.96212	2.2
81.20231	0.9
91.02202	41.4
93.00130	9.5
96.26857	0.9
102.36955	0.9
110.41748	1.0
127.28287	0.9
143.05293	3.1
152.40942	1.0
159.08463	100.0
160.08742	5.7
161.06418	11.3
172.04872	1.1
200.10866	1.0
286.85376	1.3
316.67792	1.0
353.90421	1.1
365.10944	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.3
57.03445	16.7
58.00577	0.9
59.01375	48.5
60.01701	0.9
61.98826	5.6
70.11133	0.9
70.11465	4.0
71.01379	34.2
71.01778	1.6
71.05025	2.2
72.99303	2.8
73.02939	4.2
81.36999	0.8
83.01373	3.3
85.02940	7.9
86.97709	0.7
87.00858	2.0
89.02439	13.1
93.03455	3.4
95.01365	1.5
98.20634	1.4
99.00867	1.2
99.04515	12.3
101.02441	16.5
101.77191	0.9
102.02757	1.1
108.77425	0.9
113.02446	9.3
117.13467	0.9
119.03487	7.3
125.02417	3.6
129.09222	5.9
133.02936	3.0
135.04526	1.2
136.07608	1.1
137.02432	4.7
138.20242	0.9
143.03497	1.9
155.10721	2.0
157.12325	1.2
158.06085	3.3
160.04027	33.3
161.04504	2.0
163.03983	2.4
177.01909	32.4
178.02234	1.7
178.05077	3.5
179.05573	1.4
194.41853	0.8
201.11301	9.0
202.05014	1.5
219.10399	1.7
219.12350	15.8
237.09697	4.7
321.15555	1.2
355.95569	0.9
381.17618	100.0
382.18112	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.7
59.01383	12.0
61.98820	5.0
67.15873	1.8
69.03460	3.0
71.05019	3.9
74.72142	1.9
78.95918	2.7
81.03465	2.1
83.05022	3.0
85.97968	1.6
95.05052	3.7
96.96017	4.7
97.02944	12.3
104.38467	1.9
107.31248	1.8
109.06591	10.9
111.04500	5.2
119.08704	2.0
125.09760	4.0
133.02980	3.2
135.04478	3.7
137.09691	5.1
161.02411	6.3
163.11281	4.3
165.12839	5.1
167.10826	2.6
171.10249	9.8
171.72313	1.9
173.04517	4.8
173.70609	1.7
174.03503	1.9
179.03523	4.5
179.14572	1.9
180.03912	3.1
181.12280	2.3
191.14694	1.9
195.13853	7.0
222.52661	1.8
223.13380	3.0
245.19107	3.8
247.20644	5.4
273.18713	2.2
289.18076	93.5
290.18408	9.6
291.19641	56.3
292.19958	6.5
307.19000	9.4
309.20691	100.0
310.20987	9.4
310.64056	2.1
381.17325	13.0
381.22510	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	381.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.7
59.01364	2.4
67.88227	0.7
69.61043	4.7
76.92750	0.7
80.02689	1.3
85.34564	0.8
98.20646	1.3
123.04494	1.8
123.08147	1.1
135.04526	0.8
136.32774	0.8
139.11258	0.9
151.11259	3.5
153.09215	0.9
153.12837	1.3
161.02434	1.1
171.10262	0.9
176.12144	0.9
177.12703	1.2
180.37190	0.9
185.11815	1.3
188.51553	0.7
189.00996	0.8
189.23755	0.8
193.12306	3.1
195.13896	2.7
221.11778	3.5
227.18475	0.8
239.12808	2.1
240.13608	3.3
247.20609	5.9
248.20932	1.0
273.18619	1.4
291.19659	100.0
292.17163	1.3
292.19992	10.4
309.20700	59.6
310.21027	6.1
363.21762	2.0
381.22699	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	381.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00378	0.5
59.01370	0.6
61.98817	0.6
64.97009	0.6
70.84335	0.9
70.84645	0.9
73.87065	0.5
79.37426	0.6
79.95731	10.9
80.96518	0.9
94.98119	0.7
95.95229	3.2
96.96004	82.9
122.97571	5.5
149.09676	0.8
198.32504	0.6
224.96692	0.6
253.09013	1.5
308.64929	0.7
381.23126	100.0
382.23489	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	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97138	0.7
54.17957	0.6
55.95951	0.8
59.01358	0.9
78.95894	8.0
97.56777	0.8
132.75043	0.7
138.68895	0.8
151.07642	1.5
152.99571	13.6
164.08405	0.8
170.05853	4.3
199.13440	1.1
229.73834	0.8
233.19092	1.6
235.20784	1.0
241.72765	0.8
251.20189	2.0
277.18066	74.1
277.25296	1.9
278.18451	7.1
279.19644	25.0
280.19977	2.1
287.14523	0.8
295.19113	100.0
296.19489	9.5
335.25809	0.8
363.25409	17.6
364.25797	1.7
381.26639	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	381.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14598	1.0
59.01362	2.7
70.26360	1.9
70.26748	2.2
95.86566	1.2
141.96570	1.0
152.99492	1.6
153.12837	2.6
163.11253	1.9
165.12820	4.6
170.05864	2.4
179.10764	12.6
181.12326	32.2
182.12657	2.1
183.52631	1.0
197.11809	4.5
199.13382	100.0
200.13684	8.0
352.78723	1.0
358.29172	1.1
363.25433	4.8
381.26489	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	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33620	0.8
55.82919	1.2
59.01378	100.0
61.98825	26.9
62.59853	0.9
62.67310	1.0
71.51783	1.6
72.99297	5.3
75.00867	3.1
78.95924	2.0
85.61187	1.1
87.00902	1.4
105.01933	82.9
154.06343	1.2
194.51418	1.1
246.44542	1.0
288.15610	1.0
289.16388	1.2
293.21103	1.7
307.19168	1.2
381.22461	1.4
382.27032	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79173	0.6
54.94163	0.6
59.01378	100.0
60.01724	1.1
61.98828	1.4
69.91397	2.9
78.95901	4.9
79.45014	0.6
79.95736	1.2
83.05058	0.6
98.20633	0.7
105.01962	1.8
133.02983	1.0
145.05090	0.7
150.03339	0.7
152.99615	1.0
161.02400	3.0
220.36375	0.6
235.10124	1.7
381.12317	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	382.1003
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
52.89590	0.4
55.21993	0.4
57.03428	0.5
59.01378	3.7
61.98833	3.2
63.17297	0.4
65.29034	0.5
70.20801	0.7
71.01378	8.4
73.02967	0.7
79.26962	0.5
87.00875	0.5
89.02446	1.4
96.96048	0.6
98.20718	0.7
99.04512	0.5
100.00396	0.4
101.02457	1.1
107.03622	2.4
108.92760	0.6
113.02464	0.8
115.00371	15.8
119.03592	0.9
119.05022	2.5
133.03943	0.7
134.04724	100.0
135.04347	1.3
135.05141	1.4
135.06706	1.1
140.82329	0.4
145.02943	2.5
146.04710	0.5
158.06062	0.5
162.07851	8.2
163.04033	2.3
177.01881	0.6
179.03616	1.0
188.05771	1.0
206.06819	29.9
207.07050	1.3
221.04538	0.9
224.77737	0.6
232.04872	0.9
237.98495	0.4
250.05818	3.7
266.08960	4.5
277.64386	0.4
293.46039	0.5
327.67001	0.5
382.10025	34.9
383.05826	0.6
383.10312	4.2
383.20605	1.6
400.52542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77367	0.6
59.01380	3.4
59.23783	0.5
61.98828	100.0
70.71706	1.8
87.00862	0.8
106.45623	0.6
129.10362	2.7
133.02914	0.5
135.04538	1.1
147.04558	1.2
154.08676	0.8
156.70178	0.6
161.02467	0.7
164.07141	3.3
171.11452	2.3
179.03380	1.2
233.16685	2.0
286.54819	0.6
319.16586	11.1
320.16812	0.9
383.12601	1.5
383.20660	1.4
392.16266	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.2
61.98829	100.0
70.11968	0.9
70.59271	3.0
74.71305	1.1
96.43950	1.0
106.51330	0.9
155.56697	1.0
214.04707	1.1
366.97354	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	382.296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03761	0.5
55.03170	0.5
59.01379	100.0
60.01716	1.0
67.96304	0.6
70.07646	1.8
117.63500	0.6
121.69637	0.6
187.53825	0.6
281.34317	0.6
314.81958	0.6
322.27536	0.8
322.75269	0.7
347.54977	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0772
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01378	6.4
61.98832	11.1
71.01379	1.7
71.52625	1.6
73.02910	1.2
78.95869	1.2
89.02443	2.0
96.96008	2.8
97.56738	1.6
105.01927	4.1
119.03511	1.6
121.02953	100.0
122.03284	4.6
134.89655	1.2
138.88171	1.2
147.04491	1.7
149.02452	1.3
151.43289	1.2
177.82509	1.3
181.06581	5.0
191.03497	9.8
191.16779	1.2
191.43353	1.1
209.11789	2.5
217.05034	2.0
223.91498	1.4
225.05537	8.3
247.20793	1.4
251.07164	4.3
291.19595	5.7
295.06104	11.9
309.20673	7.6
311.09247	18.5
312.09845	2.2
313.07156	18.4
314.07550	1.4
323.09665	1.9
339.08755	18.6
340.08798	1.7
364.84335	1.3
383.07663	35.4
383.18875	6.7
383.23590	1.7
384.07861	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	383.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.4
59.01379	2.1
63.00623	0.3
67.01868	0.3
69.39805	2.1
69.40211	0.6
71.01382	1.2
71.24422	0.4
73.02977	0.5
85.02949	8.2
87.00870	1.1
93.03465	2.6
101.02464	0.5
108.02187	0.3
109.02959	0.7
111.04519	0.7
112.41319	0.3
113.02444	0.6
119.05048	0.7
122.92870	0.3
124.25602	0.3
127.04011	1.6
131.76875	0.4
131.77899	0.3
133.65965	0.3
138.69923	0.4
163.04016	0.8
171.02994	0.6
173.04553	0.7
179.03435	0.6
191.05600	100.0
192.05951	4.2
284.60309	0.4
285.04135	0.3
341.10806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0982
Annotation	Euoniside
Peak:m/z	Relative Intensity
52.64593	0.5
56.48047	0.4
56.58080	0.5
57.03429	0.7
59.01379	7.1
61.98829	23.7
63.44765	0.5
71.01373	3.1
71.51389	0.5
72.68823	0.5
72.99300	0.6
73.02951	0.7
75.00868	13.7
80.00916	0.5
83.01380	0.9
85.02947	1.7
87.00874	1.0
89.02455	0.9
93.03451	0.7
95.01381	0.6
101.02422	1.2
113.02438	2.4
114.05585	0.6
117.03470	5.6
119.05030	91.4
120.05351	4.4
125.02456	1.2
131.61757	0.5
135.04509	3.2
140.37692	0.4
145.02954	100.0
146.03284	4.6
161.09703	0.8
163.04007	77.9
164.04364	3.4
177.05640	1.1
179.03497	1.9
179.10799	1.7
203.03517	1.3
205.05020	1.0
221.04538	45.0
222.04938	3.0
228.49300	0.5
235.11861	0.8
263.05350	0.5
285.04080	0.6
303.05142	0.5
325.09213	3.1
331.42474	0.5
383.09793	32.0
384.09857	3.2
407.78961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50414	0.2
59.01369	1.2
62.93871	0.2
67.01895	0.3
69.03451	0.3
69.87593	0.8
71.01362	0.4
73.02930	0.3
75.52617	0.2
76.21402	0.2
78.95895	1.2
81.03436	0.5
83.04996	0.3
85.02946	8.9
86.03278	0.3
87.00880	1.5
93.03451	3.5
96.96050	0.2
96.96920	0.3
99.04484	0.3
109.02934	0.7
111.04520	1.1
115.07832	0.2
127.04018	2.2
171.02982	0.7
173.04541	0.9
191.05598	100.0
192.05939	4.3
195.04004	0.2
291.72681	0.2
308.80209	0.2
327.09280	0.2
327.21451	0.2
389.89578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	1.4
59.01369	7.2
61.98877	2.1
62.19477	0.7
65.00335	0.9
65.04005	0.7
67.01888	5.6
68.53618	0.7
69.03490	1.7
70.35700	1.3
71.01386	4.8
72.28507	0.7
72.99358	2.3
73.02972	1.2
75.00942	0.6
77.70052	0.6
79.05550	0.8
81.03519	2.1
81.19345	0.6
83.05081	2.4
85.03013	0.8
88.04041	11.1
89.02506	0.7
91.01894	10.4
92.02262	0.6
93.03463	3.6
95.01424	1.1
95.05080	1.9
97.06654	3.0
99.00914	0.9
99.41804	0.7
101.02487	1.1
106.04250	7.2
107.05043	7.1
109.03040	1.0
109.06618	1.5
110.00130	1.4
113.02518	1.5
115.00398	3.3
119.05087	2.7
121.03007	1.8
123.00883	10.6
123.04469	0.7
125.02477	1.1
132.03024	9.2
133.06645	1.3
133.10382	0.7
135.04581	1.8
137.02515	1.0
137.09756	1.1
137.99666	2.0
138.03294	1.7
147.08188	1.3
149.02551	0.9
149.06232	0.7
149.09750	0.8
151.00377	11.1
151.04044	1.9
152.01103	1.4
152.99551	0.9
159.08347	0.7
159.11848	2.0
161.04573	0.8
162.03293	0.6
163.04160	0.8
163.11333	2.8
169.01509	2.9
175.11340	1.4
177.01987	2.3
177.05421	0.9
177.09445	0.7
177.12840	11.8
177.14268	0.8
178.99855	0.8
179.03616	1.0
183.02907	1.2
183.11774	1.4
185.09766	1.0
189.12935	2.7
201.12845	9.6
202.13101	0.7
203.10753	13.8
204.11179	0.7
205.12325	1.2
207.13882	1.3
210.60927	0.6
211.02460	18.3
211.04385	1.1
212.02948	1.0
217.12399	1.2
221.11813	3.6
233.11841	2.1
245.11917	1.2
250.04626	0.7
251.07838	0.7
252.87587	0.8
261.11282	24.0
262.11777	2.6
277.10806	11.0
278.11337	0.9
279.12399	1.1
289.10727	3.5
305.10437	5.2
306.10883	1.1
311.11453	1.4
333.09720	2.6
339.04956	1.4
340.05298	0.8
345.19543	0.7
347.16721	0.9
365.12375	100.0
366.12628	9.5
366.15994	0.7
383.13425	42.1
383.20886	5.8
384.17093	13.2
389.56781	0.7
405.37564	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05511	0.7
57.03455	1.2
58.40446	0.7
59.01365	4.3
59.79678	0.9
61.98827	7.5
67.72099	0.8
71.01387	1.6
71.05016	1.1
83.01370	0.9
89.02428	1.3
91.04009	1.0
97.06587	0.8
101.02464	0.8
109.33370	0.8
125.09684	1.5
133.02962	1.1
135.04533	1.2
136.08871	1.1
139.11295	1.2
150.40405	0.8
151.07269	0.9
153.09175	0.9
154.10017	1.5
160.84079	0.9
161.02444	1.7
177.12808	2.4
179.03496	1.3
195.13902	2.8
223.13396	0.9
246.84674	0.9
249.22179	2.8
256.18027	0.8
267.58102	0.8
291.19653	6.1
293.21219	68.7
294.21466	5.9
302.79767	0.8
309.20715	7.0
310.20715	1.1
311.22266	100.0
312.22592	10.1
323.09641	1.0
324.07349	1.1
341.10754	1.0
383.18924	4.2
383.24133	1.6
384.09738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83476	0.6
55.01866	1.9
57.03445	3.7
58.00607	1.7
59.01377	52.2
61.98827	100.0
69.03423	0.7
69.35367	3.8
71.01379	44.2
72.99303	2.1
73.02949	8.3
75.00874	0.9
80.38961	0.7
83.01398	3.2
85.02946	14.1
87.00861	3.3
88.04047	8.6
89.02441	24.4
95.01357	3.5
95.05018	1.2
97.02937	3.7
99.00891	2.9
101.02435	23.6
107.05042	1.0
108.05834	1.0
109.02934	1.0
109.06590	1.2
111.04541	0.8
113.02455	17.0
113.06103	2.2
114.01974	1.0
115.00433	3.3
119.03504	8.9
121.02976	2.3
122.03751	1.4
123.08161	2.6
125.02448	1.0
125.06107	1.6
131.03465	0.9
132.03024	12.3
135.04567	2.1
135.08142	1.3
136.05252	2.6
137.06125	1.4
138.06860	11.1
139.07668	5.3
143.03554	2.2
149.04628	1.3
149.05988	0.7
151.07620	12.6
152.04793	1.5
152.08426	24.1
153.09209	52.5
159.03018	3.0
161.04549	14.6
161.05899	0.9
161.09674	0.7
163.11272	5.0
165.09210	1.6
167.07150	1.9
168.65433	0.7
170.75650	0.7
173.04604	1.0
177.02014	0.9
179.03569	0.7
179.05659	2.5
181.05112	2.3
181.08775	2.0
187.11313	1.5
190.10039	2.0
199.45906	0.7
204.11578	1.2
205.12331	21.0
207.13892	1.2
223.06233	0.7
223.13394	7.3
233.11859	1.6
235.11922	2.6
248.90756	0.6
259.13492	1.0
267.07343	1.1
366.15549	1.3
384.16650	6.8
384.20230	0.6
385.11377	1.7
385.18713	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	384.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53344	0.4
59.01382	1.5
61.44204	0.4
61.98828	100.0
72.99343	0.5
75.00854	0.4
84.30167	0.4
89.82902	0.4
105.01952	1.2
121.02967	1.1
122.03293	0.6
131.08279	2.9
165.69130	0.5
173.09457	0.8
186.21735	0.4
239.29025	0.4
283.97281	0.5
293.21317	0.6
311.22369	2.3
385.26007	0.6
385.30829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1139
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.38863	0.6
59.01366	1.8
61.98811	0.6
64.82507	0.6
69.43756	3.0
69.44180	1.5
71.01387	1.2
84.79017	0.6
85.02940	0.7
85.81378	0.6
93.03446	1.4
98.87010	0.6
109.02943	1.0
113.02438	1.7
121.02965	5.3
135.04521	4.3
137.02464	1.1
137.06070	0.9
149.02438	39.2
150.02785	1.9
151.04018	0.9
152.01151	6.4
163.03990	5.8
164.04788	31.2
165.01903	2.6
165.05186	1.0
167.68411	0.7
169.05049	3.3
179.07126	12.0
181.05101	3.4
193.01407	18.4
208.03755	41.7
209.04057	2.6
223.06102	100.0
224.06461	6.8
234.50739	0.6
267.07123	3.1
385.11426	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	385.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08836	1.0
50.31675	1.1
55.01868	3.4
57.03442	5.3
57.30001	1.2
58.00597	4.9
59.01380	100.0
60.01706	1.3
61.98827	3.6
67.01892	1.5
68.99808	2.2
71.01381	88.2
72.99308	5.6
73.02943	14.6
75.00882	9.0
83.01365	6.4
85.02952	35.3
86.03351	1.1
87.00872	12.6
89.02443	69.6
91.05524	6.0
93.03451	1.3
95.01371	8.1
95.05046	2.1
97.02957	3.0
99.00889	9.7
101.02439	47.7
101.03109	2.5
103.00407	1.6
104.82583	1.4
108.05804	1.8
109.06642	1.7
111.00896	2.9
113.02451	47.4
113.06099	2.3
117.01935	2.0
119.03499	26.0
119.04960	1.1
121.02956	47.4
123.08192	2.7
125.02452	2.1
129.01952	4.5
131.03474	2.9
135.04550	4.4
136.05275	2.3
137.02438	1.7
138.06883	9.6
139.07597	4.7
143.03519	5.9
149.04510	3.3
151.07635	10.9
152.04739	1.5
152.08440	23.2
153.09219	49.1
154.09633	2.8
159.02982	1.9
161.04591	15.4
161.09703	1.9
171.08171	2.1
171.10265	4.4
175.07570	1.4
176.04776	7.4
176.08389	2.2
179.05624	6.2
181.08716	8.0
187.11272	17.9
188.11624	1.5
189.09189	3.0
190.09959	4.3
191.07127	8.6
204.11476	6.6
205.12334	36.4
206.12791	2.7
209.06094	2.1
215.10847	2.1
223.02798	3.1
223.13414	10.8
231.05061	1.6
233.11856	11.5
237.05565	2.1
249.06125	13.1
250.06332	1.8
259.13370	2.1
263.07678	11.0
267.07199	39.6
268.07504	2.5
275.50662	1.3
277.14456	6.1
281.04401	1.5
309.04068	6.5
318.95749	1.6
325.09216	8.3
341.06500	2.6
385.05591	4.3
385.11349	26.4
385.18143	6.9
385.22479	5.0
386.11612	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79873	0.4
59.01377	100.0
60.01723	1.0
62.73703	0.4
69.42377	2.8
70.28187	0.4
71.01384	1.7
73.02940	1.8
79.95736	1.1
88.04058	1.7
89.02457	0.9
96.95995	0.5
98.02470	0.4
101.02458	1.2
113.02491	1.0
132.03032	0.9
161.02420	0.5
179.10841	0.5
208.14372	0.5
219.07042	0.6
235.40457	0.4
367.13098	1.2
385.12946	0.8
385.17105	8.8
385.22464	3.0
386.17377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01706	1.3
61.98829	8.2
71.01386	2.9
71.41958	0.5
71.51473	0.4
71.51843	0.4
73.02953	2.1
75.00877	1.8
79.32856	0.4
80.91698	0.5
83.01385	0.5
83.05022	0.5
85.02955	1.9
87.00889	0.5
87.44987	0.4
88.04063	0.8
89.02463	1.6
89.34338	0.3
90.54493	0.4
91.39229	0.4
95.01409	0.6
96.20000	0.4
96.96048	1.3
98.20319	0.5
99.00897	0.6
99.04500	0.5
101.02439	1.1
103.83501	0.5
113.02453	1.9
118.48932	0.4
123.43110	0.4
135.04526	6.4
137.02460	0.5
151.04033	0.5
161.02472	0.5
169.03748	0.4
173.04561	0.8
181.05151	0.6
191.05641	0.5
209.24219	0.4
249.06160	3.1
356.18448	0.7
385.11624	4.0
385.17337	1.0
385.22293	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87371	0.3
55.01874	2.3
55.65912	0.3
57.03437	3.5
58.00590	3.0
58.45623	0.4
59.01376	65.4
60.01713	0.6
60.45200	0.3
61.98820	4.5
63.79209	0.4
69.03455	0.8
69.21574	0.8
69.21983	2.7
71.01379	75.1
72.01715	1.0
72.99313	3.2
73.02944	12.9
75.00864	1.0
81.03500	0.5
83.01381	6.2
83.01843	0.7
83.05016	1.1
84.02127	0.6
84.33146	0.3
85.02948	22.5
86.03283	0.4
87.00874	2.6
89.02441	39.3
90.02739	0.5
95.01375	4.7
95.05033	2.2
96.96004	0.5
97.02940	6.1
99.00878	5.8
99.04542	0.4
101.02438	39.7
102.02796	0.6
105.07098	1.6
107.05016	1.1
108.05801	2.9
109.02959	0.9
109.06587	1.8
111.00862	0.6
111.04522	1.2
113.02445	31.9
113.06075	3.4
114.02766	0.4
115.00387	0.4
115.04054	0.5
119.03500	14.0
120.03860	0.5
121.02942	1.2
121.06600	0.7
122.03750	1.9
123.08167	5.2
124.05273	0.4
125.02422	1.5
125.06097	2.9
129.01942	1.1
131.03490	1.5
132.02966	0.8
135.08112	1.0
136.05289	4.1
137.06067	2.1
138.06862	22.7
139.07672	11.2
140.07980	0.4
143.03511	3.4
147.08153	1.1
149.04549	1.4
149.06027	1.0
151.04028	0.4
151.07643	22.6
152.04836	2.4
152.07115	0.6
152.08423	45.4
153.09206	100.0
154.09540	4.6
159.02982	4.8
161.04546	22.3
161.09724	1.6
162.04883	0.7
163.11288	3.8
165.09178	1.8
166.00293	0.4
167.07126	2.2
179.05603	4.0
179.10698	0.7
187.11314	3.2
189.09189	1.1
190.09941	2.2
200.42810	0.4
202.89511	0.4
205.03543	0.5
205.12318	36.8
206.12549	2.5
223.06117	0.7
223.13376	19.0
224.13760	1.4
229.12465	0.6
233.11794	1.1
261.15308	0.3
306.23282	0.4
385.11163	0.6
385.18665	13.0
386.19037	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	385.223
Annotation	Oleandolide
Peak:m/z	Relative Intensity
50.07425	0.9
59.01382	6.0
60.38059	0.9
61.98830	28.1
66.48598	1.1
69.18192	3.9
69.18615	5.2
75.00880	1.1
89.02428	2.6
89.46647	1.0
91.04015	2.1
93.51025	1.1
96.95994	1.6
121.02956	1.6
122.03710	1.1
125.02439	1.2
125.09710	1.8
167.14409	3.8
187.09808	1.6
193.15915	1.2
201.11378	1.1
207.17392	1.2
211.13480	1.0
223.20685	2.6
249.18581	6.8
267.19638	100.0
268.20007	9.2
275.16498	13.5
293.17578	70.2
294.17877	6.1
311.18610	11.1
312.18976	1.1
367.21219	8.6
371.94476	0.9
385.22357	73.2
386.22678	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.8
61.98827	100.0
69.17884	17.7
79.59266	1.6
81.98104	1.8
84.15895	1.7
91.24563	1.6
106.97466	1.7
124.81145	1.8
164.24199	1.6
171.45979	1.6
247.88208	1.7
305.21933	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57815	0.4
55.78666	0.4
56.90942	0.4
61.52971	0.3
61.98828	100.0
63.34320	0.3
69.67983	1.5
96.96017	0.5
98.20555	0.6
120.82252	0.4
146.14441	0.4
154.89613	0.3
239.24995	0.4
288.67297	0.4
397.69751	0.4
407.96140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07398	0.4
59.01386	0.7
59.66016	0.4
61.98830	100.0
62.37353	0.4
69.56931	1.4
69.57334	1.1
83.50335	0.4
95.23148	0.4
96.12172	0.4
98.20668	0.7
106.35603	0.4
161.32202	0.4
207.10196	0.5
225.11343	0.8
241.96786	0.4
364.61288	0.4
377.09222	0.4
386.21091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.7
58.00591	0.5
59.01379	12.6
61.98822	0.9
66.24667	0.4
68.81115	0.5
69.03456	0.5
71.01383	12.7
71.51222	0.6
72.99310	26.2
73.02943	2.9
75.00887	1.1
81.03461	0.4
81.30297	0.4
83.01379	1.2
83.05042	0.8
84.13474	0.4
84.16084	0.4
85.02960	4.5
87.00893	1.2
89.02444	6.1
91.05563	0.5
93.03496	0.8
95.01382	0.6
95.05040	0.4
96.96098	0.5
97.02984	0.9
99.00887	1.3
101.02438	7.4
107.05029	2.1
109.02962	1.3
110.42583	0.4
113.02440	5.4
115.00389	1.6
117.01948	0.6
117.03471	1.7
119.03459	2.3
119.04996	0.9
121.02969	1.2
122.03705	0.6
123.04526	12.8
123.08157	5.0
125.02467	0.6
125.09734	1.1
133.02956	4.6
134.03741	2.8
135.04523	65.9
136.04846	3.4
137.02452	1.5
137.09720	1.7
143.03467	1.1
145.02927	4.0
149.02470	0.9
150.03220	1.0
151.04007	28.8
152.04366	1.1
153.01958	0.5
159.02983	0.9
161.02440	13.5
161.04491	3.2
162.02892	0.9
163.04010	52.4
163.11269	4.2
164.04393	2.7
164.11678	0.4
170.94612	0.5
173.04549	0.6
179.03494	27.4
180.03812	1.1
181.04982	1.1
183.06679	0.7
183.10245	0.4
185.11832	0.6
189.01936	0.6
189.12833	6.7
197.04546	21.2
198.04915	1.6
201.93652	0.4
207.02972	9.5
207.13890	9.2
208.03276	0.5
208.14265	0.6
209.11819	0.7
225.04033	100.0
225.14926	2.2
226.04364	6.5
238.07468	0.6
243.12331	1.2
257.04733	0.6
265.13757	0.5
281.09146	0.6
293.95450	0.5
311.10242	0.6
343.13876	1.0
387.07144	6.8
387.15158	1.8
387.20123	2.0
387.24570	2.2
388.07092	0.8
388.15604	0.6
398.59726	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1087
Annotation	epoxytwinol A
Peak:m/z	Relative Intensity
57.03432	1.2
59.01378	18.1
61.98822	4.3
63.43645	0.9
65.00307	0.8
67.01961	0.7
71.01374	9.5
71.51459	1.3
72.99290	2.5
73.02946	7.3
78.81275	0.8
83.01412	1.1
85.02936	3.0
89.02449	4.5
91.01897	5.9
93.03426	0.8
96.95989	1.6
96.99310	6.0
99.04527	2.2
101.02415	5.2
108.02133	1.0
109.02945	6.3
109.06608	0.8
111.00839	1.4
113.02449	2.5
115.00340	1.0
117.03468	2.8
119.03511	1.6
121.02935	1.1
123.04521	10.5
133.02991	1.5
134.03735	24.7
135.04550	5.2
137.02423	2.4
142.99829	1.2
145.02924	5.3
146.03740	11.0
147.04526	4.0
148.01671	1.6
148.03952	0.8
149.02428	0.9
149.06062	2.5
150.03168	1.3
153.09218	1.0
158.03741	9.3
159.04527	14.9
160.01732	1.1
161.02467	3.6
161.04514	2.6
161.06052	3.8
163.04034	4.0
165.09193	1.4
167.03357	0.8
171.10321	0.9
173.04639	1.2
173.05989	3.9
175.03992	1.7
178.02696	3.4
179.03511	2.3
183.10390	1.2
187.04007	2.2
193.05042	9.6
194.05313	1.2
195.69592	0.8
205.04976	0.8
207.03041	0.8
209.11728	1.5
225.03989	0.9
225.14989	1.6
239.07233	0.8
241.05096	1.5
249.05502	1.0
250.06351	2.0
252.24736	0.8
256.07315	1.0
266.05923	5.2
267.06601	6.0
268.07294	2.3
269.08115	1.8
271.09726	1.4
277.05179	1.7
278.05576	0.8
280.07730	0.8
281.08139	11.3
282.08926	5.0
282.11523	0.7
283.09720	2.9
284.10565	2.3
294.01813	0.8
294.05258	1.3
295.06104	11.9
309.07718	1.5
310.08496	9.0
311.08762	1.1
325.10776	6.9
326.11020	1.5
327.14694	0.9
341.10721	1.1
343.11618	1.5
354.07510	2.4
369.09656	4.4
384.93781	0.9
387.10837	100.0
387.24142	7.7
388.11121	12.1
388.19727	1.0
388.24200	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25830	1.4
58.00591	2.7
59.01378	45.2
71.01378	37.4
71.34711	1.1
71.50225	1.5
71.73125	1.6
72.99288	1.5
73.02950	1.7
75.96606	1.1
83.01372	1.6
85.02952	5.2
87.00877	2.1
89.02444	56.6
95.01387	2.7
101.01789	2.3
101.02425	21.0
113.02444	18.7
119.03493	17.9
131.03474	2.9
135.84769	1.1
143.03450	3.6
145.17410	1.2
161.04529	5.4
179.05611	23.0
191.05594	4.9
199.24519	1.4
224.15071	1.2
341.10858	100.0
342.11267	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	387.12
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19993	1.1
58.62259	1.0
59.01381	27.8
61.98829	2.5
71.01379	9.5
71.05015	1.4
71.51623	2.0
72.99298	1.5
73.02957	10.1
83.01382	2.1
83.52124	0.9
85.02955	3.1
86.61272	0.9
87.00880	3.0
89.02435	4.6
95.00381	1.0
96.96020	6.1
98.95605	3.1
99.04511	1.5
99.92586	24.9
100.92632	1.0
100.93365	3.4
101.02436	7.4
108.04557	4.3
111.00956	1.1
113.02438	4.4
114.94958	2.3
115.92080	20.2
116.92859	99.8
117.92875	5.6
119.03540	2.0
119.05017	1.1
121.02954	9.3
121.10217	2.5
122.06137	2.1
123.08119	1.2
125.02423	0.9
132.04532	1.9
133.03023	1.5
135.04500	5.5
137.02448	1.6
137.04224	2.0
141.31223	0.9
145.05376	1.4
147.03262	1.3
149.94168	0.9
150.05611	1.3
158.93927	2.2
160.04028	18.6
161.02458	5.4
161.04556	3.9
175.02686	1.1
179.03516	1.7
181.05006	1.8
183.21112	1.0
186.01952	1.5
188.03500	9.6
190.05101	2.0
202.04974	1.5
204.02960	4.8
210.07858	1.3
211.08685	1.3
211.12431	1.2
212.07338	1.5
218.04572	15.6
219.05138	1.4
225.11366	1.7
227.08266	2.1
239.08209	1.7
239.11865	4.8
240.05342	1.6
243.15977	1.8
251.08182	2.9
252.06703	1.7
252.09093	3.3
254.06659	1.2
255.07669	3.8
263.07419	1.7
265.07220	2.2
265.09738	1.5
265.19867	1.0
267.07440	1.6
267.08215	1.7
267.11362	15.6
268.09702	3.7
269.09348	5.6
281.05716	11.6
283.07013	1.6
283.10831	3.7
283.68573	1.0
293.09409	1.5
294.07419	1.7
295.07202	4.8
296.08139	5.8
307.06415	22.2
308.06668	3.0
309.08881	3.0
311.10367	100.0
312.10699	10.8
325.07407	1.7
325.10934	1.1
337.08316	10.4
338.08621	1.6
343.12994	3.2
355.09338	40.4
356.09680	5.1
369.06174	1.7
369.10266	1.3
369.22845	1.8
387.07404	22.0
387.11816	17.3
387.16653	9.1
387.23834	17.0
388.07776	4.5
388.24191	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	387.1295
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
53.38613	0.7
57.03448	1.8
58.00579	1.3
59.01379	44.8
59.34732	0.7
61.98833	7.6
68.36755	0.7
68.46284	0.8
69.63219	1.5
69.63637	3.8
71.01382	25.3
71.26833	0.6
72.99295	2.8
73.02959	1.4
75.00871	1.9
82.66454	0.8
83.01379	1.4
84.38504	0.7
85.02951	5.7
89.02450	25.6
91.91222	0.6
95.01390	2.4
95.05035	1.3
96.96013	0.7
98.20637	1.0
99.00877	1.2
101.02441	14.7
103.95872	0.8
111.00857	1.8
113.02450	10.7
116.06353	0.7
119.03508	10.3
121.02946	1.3
123.04485	0.9
125.02454	1.6
128.03540	0.9
131.03476	1.1
133.02945	0.9
135.04520	1.3
137.02365	1.0
139.04033	2.0
143.03529	1.0
143.11888	1.0
149.02411	3.8
149.04460	1.0
151.03998	2.9
152.01154	1.1
159.10202	0.9
161.04536	1.6
163.11281	2.1
165.01926	1.2
165.05545	3.0
166.06400	1.1
167.03487	2.9
173.04593	0.8
177.01929	29.9
178.02393	2.6
179.03351	0.9
179.05591	1.5
180.04201	0.8
181.08655	0.9
182.05635	0.8
192.04286	48.0
193.04703	2.7
207.06619	100.0
208.06963	5.9
223.06190	0.8
224.06395	0.8
225.07709	17.1
226.08020	0.9
237.06187	1.0
246.65454	0.7
257.10300	3.4
320.64780	0.7
327.10712	2.1
369.11618	0.9
387.08728	1.1
387.12381	5.6
387.17401	6.4
388.12927	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28646	30.0
53.64972	35.3
59.01378	50.6
61.98821	68.7
62.65232	34.5
64.93401	32.7
70.59607	100.0
75.02673	31.5
127.07211	30.3
128.24681	41.7
239.40584	32.0
340.83752	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	387.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11055	0.5
57.03444	9.2
58.00595	4.4
59.01378	6.3
60.29579	0.5
61.98499	0.6
61.98818	1.9
69.03458	1.1
69.41672	0.5
69.70945	3.0
71.01373	2.8
71.05019	1.2
72.99288	1.1
73.02553	0.9
73.02936	9.9
83.05011	1.6
85.02931	1.6
85.06603	0.9
87.04512	4.7
89.02420	1.3
95.05035	1.1
96.96005	2.0
97.02919	0.9
97.06581	4.2
99.04507	0.7
99.08096	1.2
102.35892	0.5
109.06575	0.9
111.08170	1.4
119.05006	1.0
121.10193	0.8
123.04498	0.9
123.08146	5.1
125.09718	18.6
126.10010	1.0
127.11279	6.3
134.03654	0.7
134.77176	0.6
135.04482	0.9
137.09708	6.6
139.07645	1.7
139.11292	3.1
141.12859	2.7
149.09642	1.4
151.11273	1.2
153.09167	1.5
155.10764	7.8
156.11206	0.7
157.12323	8.7
161.02530	0.7
169.12303	1.2
171.10263	4.7
173.04430	0.8
173.11861	1.2
179.03447	1.1
181.12303	1.2
183.10274	0.8
185.11821	6.5
187.09770	0.6
187.11768	0.9
187.13385	9.1
193.05006	1.1
199.09740	48.3
199.13472	1.8
200.10057	2.2
201.11322	8.1
225.05693	0.6
227.07092	0.6
229.10710	4.2
231.12318	4.9
243.12260	2.3
243.16037	3.1
316.65390	0.6
327.21786	2.3
343.15634	0.7
369.22781	12.0
370.23312	1.7
387.15152	3.1
387.23825	100.0
388.24197	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	387.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73346	0.5
56.18491	0.4
57.03447	4.6
58.00577	0.8
59.01117	0.6
59.01379	5.2
61.98819	1.7
68.99821	0.8
69.03449	0.7
69.31500	2.4
69.31917	1.4
71.01373	1.9
71.05016	3.2
72.94439	0.5
72.99285	0.6
73.02946	17.5
78.83099	0.5
83.05017	1.6
85.02962	1.2
85.06593	1.4
87.04512	1.4
89.02393	0.5
90.48483	0.5
95.05006	0.8
97.06582	2.6
99.04514	0.7
99.08131	2.1
101.02435	1.8
101.06049	0.9
109.02960	0.5
109.06584	1.7
111.08138	1.7
113.02444	0.7
113.09737	2.6
114.62723	0.5
115.07665	0.8
119.05067	0.5
123.08178	2.5
125.09723	5.3
127.07629	0.5
127.11280	2.5
129.09254	0.5
135.04510	1.2
135.08122	0.7
137.09721	3.0
139.07668	0.8
139.11244	2.5
141.09219	0.6
141.12888	0.9
143.10777	3.8
151.11317	0.9
153.09171	1.4
155.10776	3.6
157.12323	6.1
161.04543	0.7
163.11282	1.8
167.10765	1.5
169.12314	2.3
169.65967	0.5
171.10245	1.0
179.03519	0.8
181.12347	9.6
182.12614	1.0
184.11072	0.5
185.11835	1.0
187.13344	4.1
193.04999	0.8
195.13989	0.5
199.09727	1.4
207.10170	0.5
209.15550	1.1
214.11858	0.5
215.12895	0.9
216.13609	2.8
217.14261	1.0
225.11308	12.1
226.11682	0.8
249.11267	0.6
249.18210	0.5
261.68204	0.5
267.12421	2.3
277.21475	0.5
285.08765	0.9
295.19055	1.0
299.75143	0.5
327.14514	1.2
343.24753	2.0
369.22717	10.7
370.23087	1.3
387.23859	100.0
388.24173	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	387.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01374	5.4
61.98827	27.6
64.75122	0.4
69.26938	3.5
71.01383	0.9
71.04998	1.1
72.99316	0.6
73.02934	1.9
75.78387	0.5
78.95890	0.7
83.05016	2.0
85.02952	0.7
93.20048	0.5
95.05022	0.9
96.96027	0.9
97.06591	2.8
98.06938	0.5
101.02421	0.8
109.02935	0.6
109.06570	0.9
111.08149	0.8
119.08614	0.7
123.04507	0.7
123.08145	1.5
125.09711	1.1
133.02936	1.1
133.76520	0.5
135.04507	1.1
137.09692	2.2
139.07619	0.8
139.11290	3.4
149.02435	1.5
149.27365	0.5
151.11191	0.6
153.09227	0.9
155.10732	1.9
157.12300	1.0
161.02412	2.3
172.05336	0.5
173.04506	0.8
173.05989	0.8
185.11809	14.0
185.13470	0.7
186.12065	0.9
187.07660	1.4
202.06288	0.7
213.11314	3.1
214.12015	2.1
215.12854	3.0
225.15013	0.5
227.07121	0.6
233.04556	0.8
241.14433	1.5
243.15999	6.1
255.15955	0.7
267.06589	0.8
269.04462	3.4
271.02615	0.6
291.19650	1.4
300.02682	0.9
301.03397	1.7
303.19806	0.6
304.19568	0.5
309.20572	1.2
321.20593	1.4
325.07159	13.4
327.18158	0.9
327.21719	8.6
328.22192	1.1
339.21786	2.4
343.21313	1.5
357.22839	1.5
369.22739	4.4
387.23837	100.0
388.24191	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	387.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78214	0.4
57.03445	1.1
59.01382	12.2
61.98829	7.4
69.29057	4.2
71.01382	1.0
71.05001	0.8
72.99295	0.9
78.95900	0.8
82.51566	0.4
83.04987	0.5
85.02966	0.5
97.06579	3.0
98.02423	0.5
111.08144	0.8
123.08163	3.0
125.09725	0.6
136.11987	0.4
139.11295	3.6
141.09251	0.6
157.12267	2.4
167.10712	0.7
169.12453	0.5
170.09438	0.7
170.61575	0.5
171.71512	0.5
173.04651	0.6
173.06035	0.7
185.11818	20.6
186.12123	1.3
213.11320	0.5
214.03397	0.6
214.12131	2.6
215.12614	0.6
227.07182	0.6
245.08266	0.4
265.18109	0.7
289.18011	1.1
291.19647	6.1
292.19772	0.6
307.19153	0.9
307.22559	0.7
309.20764	4.1
310.21042	0.5
325.20029	0.8
325.23828	11.4
326.24045	1.3
327.21744	70.3
328.22061	8.5
341.49084	0.5
369.22977	2.3
387.23843	100.0
388.18814	0.8
388.24112	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	388.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68531	0.2
59.01369	1.2
59.29660	0.3
60.28035	0.2
61.98827	100.0
69.85780	1.4
72.99301	1.8
82.01408	0.3
87.00894	0.4
97.06602	0.3
124.65365	0.4
135.04584	0.5
137.98495	0.3
149.02431	0.9
159.04407	0.3
161.02441	1.1
173.04596	0.4
174.06940	0.4
175.07619	0.4
187.07533	0.4
203.07097	0.4
215.06837	0.4
230.24335	0.3
247.09827	0.4
254.05878	1.0
265.04999	0.8
266.05737	1.9
267.06363	0.7
268.06805	0.4
269.04532	12.9
270.05151	2.2
271.02496	0.4
283.13345	2.9
300.02585	0.5
301.03067	0.6
301.14468	1.1
302.03394	0.3
307.06375	0.3
315.16104	0.4
325.07144	50.7
326.07483	5.9
327.15878	0.7
345.17059	1.1
379.13773	0.3
387.23697	0.7
388.24258	1.0
389.16074	1.0
389.25348	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.0
61.98831	100.0
71.01389	1.7
71.37370	0.7
71.50098	1.1
73.34420	0.6
75.58688	0.6
77.41252	0.7
87.36473	0.6
88.98016	0.6
88.98801	1.0
89.02457	1.0
96.84062	0.6
96.96029	1.0
99.92584	1.0
101.02457	0.7
121.02950	0.7
123.36811	0.7
128.03564	2.9
130.08722	0.8
179.03572	1.1
191.08281	0.7
206.45383	0.8
241.11929	1.2
278.47546	0.7
299.10907	0.9
335.17520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
70.82179	0.8
72.99315	1.4
129.80507	0.4
201.09204	0.5
247.09729	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10788	0.4
59.01375	0.4
61.98829	100.0
62.27984	0.4
72.99342	0.9
74.92768	0.4
85.89558	0.5
86.51064	0.4
92.03616	0.4
98.20670	0.8
147.35561	0.4
149.61545	0.4
247.09891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98832	100.0
62.60758	0.5
69.43352	2.9
71.37164	0.4
79.99966	0.3
101.34122	0.4
104.67691	0.3
184.01498	0.4
194.89729	0.4
260.29672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25491	0.3
59.01380	1.3
59.38953	0.4
61.98828	100.0
62.32407	0.3
72.99309	15.2
78.95899	4.0
79.28394	0.4
87.00877	3.0
98.20657	1.2
111.82539	0.4
132.46515	0.4
135.04539	0.6
139.28415	0.4
146.03780	0.7
147.04514	0.7
149.06071	0.5
158.03731	0.9
159.04521	1.1
161.02423	0.5
163.07642	0.6
172.05319	0.9
173.06044	1.0
174.03288	0.7
174.06879	1.3
175.04063	0.5
175.07631	3.5
182.03770	0.4
186.06870	1.0
187.07652	2.8
189.05591	0.8
189.09192	0.7
200.04823	0.8
201.05530	3.1
201.09232	0.7
202.06239	0.5
203.07126	3.8
209.11734	0.6
211.07663	0.9
211.13423	0.6
214.06297	2.2
215.07184	2.1
217.08716	1.3
218.09445	2.5
229.08673	2.0
230.09529	1.3
231.10196	0.6
247.09755	3.9
248.10440	0.4
257.51849	0.4
274.08524	1.6
291.08618	0.5
292.09503	1.1
325.20505	0.7
329.22925	0.6
333.74194	0.4
343.15317	0.6
371.14822	1.1
388.19171	1.0
389.15924	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	388.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.8
61.98831	100.0
63.55458	0.3
70.01457	1.7
71.01396	0.4
72.99311	6.8
87.00878	1.6
96.96041	0.6
113.14367	0.5
133.02957	0.7
134.03796	0.7
146.03696	0.7
150.72041	0.4
158.03714	0.6
164.29385	0.4
173.04646	0.4
173.06042	0.9
175.07713	1.2
178.02716	0.7
179.03514	0.5
182.03761	0.4
186.06841	0.5
187.07668	2.2
200.04747	0.8
201.05673	1.3
203.07216	1.6
211.13420	0.5
214.06319	1.1
215.07187	1.5
217.08728	0.7
218.09557	1.4
229.08714	1.5
230.09480	1.3
247.09883	1.0
260.94189	0.4
274.08444	0.5
327.16010	0.5
389.16006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1088
Annotation	Epikingisidic acid
Peak:m/z	Relative Intensity
55.01853	1.3
55.03837	1.2
58.00591	1.3
59.01379	100.0
59.94045	1.2
61.98829	31.0
65.03945	1.4
67.01878	1.6
68.07456	1.3
69.03455	95.1
70.03767	2.9
71.01015	1.9
71.01380	28.9
71.05022	1.4
71.42785	1.7
72.99297	2.4
73.02922	3.6
81.03455	1.7
83.01365	1.8
85.02939	7.2
85.06613	1.6
87.00872	2.8
88.04040	6.2
88.98801	3.0
89.01941	2.2
89.02447	32.3
95.01369	3.2
95.05025	24.0
96.96019	1.4
97.02343	1.2
101.01818	1.2
101.02447	20.8
105.01881	1.5
106.04214	5.0
109.02907	2.2
113.02462	15.8
119.03506	16.6
121.02957	18.2
121.06598	41.4
122.06908	1.9
123.04503	5.5
128.03503	1.6
131.03441	1.4
135.04507	5.1
137.02409	1.4
139.00368	8.4
139.04019	2.0
139.07602	5.4
143.03450	2.0
158.03482	1.5
161.04471	2.4
164.55157	1.1
165.05573	19.0
173.04501	1.6
176.01102	2.9
179.03346	1.7
179.05629	3.3
183.06645	12.6
191.03474	2.9
209.04552	12.0
209.11755	1.6
210.05521	2.7
243.12219	3.7
318.81528	1.2
345.11890	22.0
346.12170	2.0
389.10757	47.1
389.18469	2.4
390.11014	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	389.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23359	0.8
59.01375	7.9
61.98823	5.5
68.58897	0.7
70.04205	1.3
70.04568	2.7
71.01379	1.3
72.99305	18.3
78.95909	1.0
87.00880	2.8
96.95994	0.6
97.06567	1.0
98.20645	0.8
121.06579	0.7
134.03723	0.7
135.04546	0.9
146.03745	1.2
147.08127	0.8
159.04486	4.7
160.05376	4.3
161.02431	1.7
161.05925	0.8
163.07626	0.7
172.05299	18.3
173.02716	0.7
173.04515	1.1
173.06015	5.2
174.03316	0.8
174.06779	2.0
175.07637	3.9
179.03487	0.8
185.06058	5.6
186.06882	1.7
187.04019	6.7
187.07611	3.6
188.04593	0.9
189.05450	0.7
200.04666	1.0
201.05568	6.5
201.09193	1.2
202.06340	5.7
203.07158	4.2
204.04265	4.0
211.07758	1.0
215.07095	2.0
218.09473	3.5
225.09229	2.6
226.09871	0.9
229.08751	1.9
230.09505	1.3
239.14398	0.9
247.09731	4.4
254.09387	1.0
255.13951	2.5
257.15460	2.3
265.12234	0.9
282.92148	0.7
283.13391	100.0
284.13708	11.3
291.08649	0.9
298.12048	0.7
299.16437	1.8
301.14444	50.8
302.14755	4.5
309.14966	5.4
311.12817	1.3
315.16043	1.0
317.13791	0.8
327.15988	18.9
328.16147	1.4
345.17065	41.7
346.17307	5.4
371.15167	1.6
389.15848	7.3
389.25293	3.9
389.56464	0.8
390.25497	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	389.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	86.4
61.98820	47.6
71.25784	29.5
80.96516	86.9
98.19846	62.4
170.33665	30.4
182.83592	31.2
255.23233	33.7
389.19016	100.0
390.19537	53.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87372	0.4
57.03438	1.0
59.01380	20.8
61.98832	4.1
65.20333	0.4
69.03448	0.4
69.14393	4.7
71.01408	0.6
72.99307	10.8
73.02960	0.9
78.95921	0.6
83.05060	0.8
87.00878	5.7
87.04512	0.6
89.16524	0.5
96.68374	0.5
97.06596	1.9
105.01945	0.5
109.06607	1.6
113.09679	0.5
123.08159	1.8
131.51268	0.5
135.04512	0.5
135.08136	1.6
138.06834	0.7
139.11269	1.5
141.12871	1.1
146.03722	0.7
147.04422	0.5
153.09235	1.4
157.12320	2.8
159.04530	1.3
163.07672	0.8
169.12335	1.6
171.04420	0.6
172.05212	1.0
173.04565	0.9
173.06058	1.3
174.03224	0.5
174.06819	0.8
175.07686	2.6
179.03395	0.5
182.03685	1.2
185.06088	0.5
185.11806	4.3
186.06898	1.6
187.07640	2.5
189.05576	0.7
200.04718	1.6
201.05569	2.1
201.09146	0.9
203.07063	3.2
205.08670	0.6
211.07596	2.6
214.06361	3.8
215.07184	2.5
215.12883	2.6
217.08691	0.6
218.09486	1.8
225.09138	0.6
227.07214	0.6
229.08694	2.5
230.09401	1.4
231.10152	0.6
239.16676	0.4
247.07475	0.5
247.09686	3.0
255.13986	0.7
273.01190	0.5
273.18643	1.3
283.13394	2.8
293.21188	1.5
301.20163	1.2
309.20914	0.5
309.24313	1.0
311.22266	4.7
317.17395	0.8
325.23764	0.6
327.16235	2.7
327.21719	5.2
327.25394	11.4
328.22104	0.6
328.25754	1.7
329.23309	85.1
330.23618	8.8
343.40714	0.5
345.16977	0.6
371.15131	0.7
371.24323	1.4
389.15796	2.4
389.19980	5.7
389.25415	100.0
390.20844	0.8
390.25775	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	389.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
63.03806	0.5
69.80087	2.7
72.22390	0.5
75.57843	0.6
80.96543	0.8
81.70087	0.6
105.93711	0.5
108.35935	0.5
112.46727	0.6
178.15724	0.7
185.33829	0.6
334.09079	0.7
356.46652	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82312	0.4
59.01377	100.0
60.01707	1.1
61.98814	0.5
69.69638	2.1
80.96512	2.2
87.89568	0.3
89.66761	0.3
94.98093	0.8
98.19891	0.6
138.36522	0.4
143.89877	0.3
152.99628	0.7
154.86520	0.4
178.92006	0.4
197.11819	1.0
223.22781	0.4
233.09822	0.4
255.23288	1.3
299.04483	0.7
389.18927	2.3
389.69391	1.3
390.19882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30768	0.5
57.03453	0.7
59.01377	8.7
59.62929	0.5
60.01701	1.0
61.98828	100.0
71.01363	1.7
71.52154	0.8
71.67397	0.5
72.99312	2.8
85.47097	0.5
87.00909	0.8
97.06591	0.8
109.06504	0.6
117.03484	0.7
117.70441	0.6
119.05038	1.0
125.09678	0.8
135.04520	0.9
145.02922	5.3
146.03342	0.6
160.91335	0.7
161.02399	0.6
163.04033	1.1
169.33397	0.5
173.11534	0.5
181.05124	2.1
183.14009	0.7
185.11836	1.1
186.12178	1.1
187.07642	0.8
188.93402	0.5
201.11324	0.6
203.07332	0.6
215.12817	0.9
216.13281	0.6
220.26210	0.5
223.78813	0.6
284.13730	1.5
328.16437	2.0
329.23410	1.4
329.85318	0.6
330.23535	2.7
389.25201	4.2
390.16589	2.0
390.25714	8.7
390.30286	0.7
391.18341	0.8
391.26935	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.97176	0.4
69.23006	0.9
69.23408	3.2
70.15372	0.6
87.70879	0.4
92.88323	0.4
98.20679	1.1
100.91705	0.5
150.59708	0.5
151.45657	0.6
388.94803	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42529	0.2
59.01390	0.3
61.98826	100.0
65.84090	0.2
66.38240	0.3
69.70074	1.0
72.99302	0.8
78.95898	1.9
83.38258	0.2
87.00859	0.4
122.45942	0.2
132.22534	0.3
183.60825	0.3
197.11758	0.3
217.50456	0.3
316.29422	0.3
327.21796	1.3
390.17010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50150	0.4
61.98830	100.0
65.26753	0.4
71.29259	0.5
92.96614	0.4
119.18387	0.4
126.97557	0.4
397.04800	0.5
409.72559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88499	0.3
59.01390	1.8
61.98827	100.0
64.02891	0.4
69.22172	2.4
69.22578	0.9
69.41573	0.3
72.99306	0.7
80.11623	0.3
87.00894	0.4
96.96028	0.7
105.78128	0.4
125.50779	0.4
133.02953	0.6
171.10229	0.5
273.14844	1.3
331.19327	1.2
332.38342	0.4
391.17957	0.6
391.24966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
61.98829	100.0
69.45415	1.5
69.45813	5.1
72.99312	2.2
74.42638	0.7
81.03464	1.4
81.12259	0.7
83.05025	2.9
87.00896	1.0
96.96024	2.4
98.20715	1.2
98.45852	0.7
99.92581	0.9
112.03546	0.7
121.06587	1.3
131.76352	0.7
135.04549	0.9
168.43950	0.9
169.82449	0.8
187.07489	0.9
275.08728	0.8
289.17819	0.9
290.18503	5.2
330.17627	3.2
390.16428	0.8
391.29697	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	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
68.06676	0.6
71.06882	1.2
104.45963	0.6
108.99107	0.6
118.37964	0.6
129.32550	0.5
145.02988	0.8
164.07173	1.4
199.87613	0.6
203.73866	0.6
207.10406	0.8
356.53024	0.6
390.19290	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	391.067
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72769	1.1
55.32745	1.2
57.03443	2.6
59.01376	57.5
60.01706	1.9
61.98830	9.1
67.01875	5.7
69.03455	3.5
69.92168	4.2
71.01379	11.6
72.99304	44.4
73.02946	4.5
75.00864	14.2
78.95889	7.8
79.05501	1.7
81.03453	43.0
82.49098	1.4
83.01382	2.1
83.05016	1.8
85.02975	3.0
87.00863	1.2
88.04046	2.4
89.02438	4.2
95.01397	4.6
95.05018	4.6
96.96037	2.3
97.02953	4.4
97.06590	21.7
99.00897	1.7
101.02428	7.9
105.01922	3.6
111.04510	9.5
113.02452	4.3
116.07191	2.3
119.03474	1.9
121.02985	2.5
123.04518	100.0
124.04862	3.5
125.02409	1.5
127.05090	1.2
128.03566	1.6
134.03752	3.3
135.04518	66.3
136.04826	2.4
139.03972	3.2
141.05557	8.9
149.02434	2.1
149.55376	1.4
155.03456	2.0
161.02382	1.5
161.04492	2.6
164.07138	4.3
167.03484	36.5
168.03781	2.1
173.04550	2.6
176.03491	3.8
179.03476	22.4
180.03801	1.7
185.04546	34.2
185.06104	2.8
197.04546	26.1
197.06247	2.6
201.06520	2.5
208.10963	1.3
209.11806	5.7
211.02464	19.8
212.08217	1.8
212.51820	1.3
216.08876	7.3
227.10388	1.3
229.03508	86.9
230.03923	3.8
244.08322	6.0
255.08684	1.9
297.08884	2.0
303.14359	15.9
304.73050	1.4
329.11551	2.5
331.17624	2.0
349.18704	1.6
356.51495	1.6
374.17056	2.9
391.15262	2.8
391.19922	3.3
392.10727	2.4
392.18472	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	391.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81906	1.0
59.01378	6.4
60.99047	1.4
60.99306	14.8
61.98829	16.4
71.01357	1.3
71.50488	1.2
72.99312	1.3
78.95902	5.8
85.02946	1.2
88.98802	100.0
89.99132	1.9
96.96018	2.7
96.96954	7.1
113.02426	1.3
134.03763	1.2
153.05565	1.4
160.64175	1.2
187.84552	1.2
193.05008	3.6
277.53351	1.2
391.16391	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	391.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03447	46.4
58.00613	0.5
58.03785	0.6
59.01377	100.0
60.01708	1.5
61.98834	1.5
63.96244	8.3
66.13847	0.5
68.60903	0.5
68.99839	0.6
71.01376	12.5
72.99307	7.7
73.02933	4.3
73.98324	1.6
74.99105	1.9
75.00871	3.1
76.40959	0.5
78.95918	0.8
81.03481	1.4
83.01388	2.7
85.02941	6.9
87.00876	1.6
89.02425	4.0
89.02847	0.4
93.03464	0.6
95.01353	1.2
96.95993	0.6
97.77328	0.6
98.20511	2.6
99.00891	2.1
99.04514	41.4
100.04849	0.7
101.02437	20.0
105.01930	5.4
113.02444	7.4
113.69596	0.6
117.97295	4.8
119.03532	1.2
123.04511	1.1
125.02436	13.1
135.04509	1.4
135.98355	29.4
136.99222	0.8
143.03542	1.4
159.03090	0.9
161.02510	1.3
161.04541	5.7
171.10263	1.4
171.92867	0.6
173.04568	1.3
179.03560	0.8
191.05684	1.4
197.04578	1.5
197.12042	0.5
201.11383	0.7
209.11856	1.9
217.10896	1.9
228.07912	1.1
229.03532	0.8
229.10860	1.3
247.11842	11.1
247.14265	0.7
248.12111	0.7
255.08961	0.6
269.10297	5.1
271.08301	3.9
278.61951	0.6
289.12918	1.5
303.14554	2.6
306.07623	0.5
308.71927	0.5
311.11429	0.9
329.15857	0.7
331.17795	1.8
349.18958	0.7
391.12656	2.3
391.17993	4.4
391.23624	1.2
399.45612	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37019	0.9
55.01880	0.8
57.03448	100.0
58.03773	1.1
59.01379	81.1
60.01696	0.8
71.01022	0.9
71.01381	18.4
72.99304	0.9
73.02940	7.5
81.03455	1.9
83.01373	4.7
85.02959	3.3
87.00845	0.9
89.02441	20.3
92.20306	0.9
95.60098	0.8
98.20023	3.2
99.04516	74.8
100.04851	2.0
101.02442	30.1
103.06541	1.0
113.02457	7.7
119.03513	7.0
123.04515	2.9
125.02447	18.5
126.02751	0.8
131.03535	1.8
143.03497	3.6
149.04501	2.3
153.05586	1.0
161.04582	5.0
163.74045	0.8
176.11916	0.8
179.04219	0.9
179.05539	5.8
179.55774	0.8
209.11723	1.4
247.11852	6.8
271.11755	1.8
293.27454	0.9
303.14413	1.0
391.16177	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	1.2
61.98833	4.6
70.84447	0.8
71.01379	0.6
72.99310	0.7
73.02943	0.5
79.95735	0.7
80.96523	0.5
94.98064	0.5
101.02465	0.4
108.40569	0.4
109.02943	0.4
115.13892	0.4
119.05072	0.4
135.04594	0.7
143.00095	0.4
145.02957	1.0
161.02390	0.4
169.12355	0.4
179.03632	0.4
209.11772	0.6
225.00818	0.4
255.62062	0.4
275.09308	0.7
331.24149	0.4
349.20126	0.6
391.20966	2.2
391.26358	3.8
402.57803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77756	0.5
51.35927	0.5
55.18909	0.5
57.03427	0.6
59.01377	100.0
60.01717	1.3
61.98822	4.9
67.84682	0.5
69.58434	2.5
71.01375	2.8
72.99309	1.7
79.95715	0.7
81.48560	0.6
83.39384	0.5
96.96026	0.7
97.16402	0.5
122.18313	0.6
123.05274	0.6
133.02971	1.3
134.03758	1.3
135.04538	2.9
136.25244	0.6
146.03925	0.6
149.02390	1.0
161.02477	1.8
175.04012	0.5
179.03511	1.6
231.10229	1.2
263.76346	0.7
275.09299	2.8
391.21494	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50029	2.6
56.22025	2.3
59.01379	39.5
61.98829	11.9
71.53032	3.8
77.62640	2.2
95.42584	2.4
101.34153	2.4
109.06580	3.4
111.08163	43.9
147.11774	4.4
151.11229	3.6
165.12849	4.9
168.99562	2.4
169.12354	7.0
169.90361	2.5
179.10869	2.9
197.11812	100.0
198.12151	6.0
199.13396	3.7
211.13393	10.3
215.10542	2.6
219.07961	5.3
219.10010	82.7
220.10316	5.2
231.09813	2.7
233.11598	39.7
237.94154	3.5
249.13287	3.9
251.11391	4.6
263.20142	6.1
291.19611	19.2
293.12366	7.5
309.20682	86.6
310.20972	8.8
313.17877	2.7
331.18860	40.3
375.17664	3.7
391.20651	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90627	1.7
59.01167	1.5
59.01385	16.5
61.98825	19.1
69.03462	3.8
69.74767	4.1
69.75189	6.2
80.35370	1.5
80.91689	11.8
81.03445	1.8
96.96007	3.5
97.02943	24.7
97.71767	1.6
99.92553	3.5
105.32568	1.6
109.50214	1.5
111.04544	2.4
115.92023	2.2
120.80502	1.7
123.08188	2.3
128.71054	2.0
137.09671	3.4
151.11276	1.8
153.09303	1.6
159.58243	1.6
164.07826	1.6
171.10306	3.9
187.75450	1.8
193.08450	3.1
195.13864	2.9
207.10037	2.4
210.01393	1.9
221.11736	5.0
223.83826	1.8
233.11513	4.3
239.12857	2.4
240.13689	1.9
245.11557	9.7
247.20714	3.0
261.11115	3.7
262.11841	100.0
263.12140	4.5
273.14703	3.7
273.18585	2.5
291.19638	59.1
292.19974	6.7
309.20691	64.7
309.24222	3.2
310.21014	5.3
313.17783	3.5
322.12668	3.6
331.18900	59.1
332.19089	5.5
391.20444	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	391.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54088	3.2
51.63438	3.4
59.01377	25.7
61.98828	88.2
65.26326	3.0
65.73201	3.9
69.60122	22.8
71.01373	11.9
80.91676	18.1
81.16158	3.1
91.11478	4.0
97.02946	4.7
100.17539	3.6
116.37749	3.5
125.09727	3.6
138.16528	3.3
152.66360	4.0
160.98355	3.5
165.01645	7.5
171.10242	5.0
181.08516	3.5
193.08417	13.5
205.23062	3.6
221.07988	7.0
222.08699	81.7
223.09503	47.6
254.07704	7.8
262.11914	6.9
262.90729	3.9
282.09604	11.6
309.20694	34.0
313.17841	5.0
331.18903	100.0
332.19049	9.1
352.55542	4.3
361.84879	3.8
389.53806	3.6
392.16617	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	391.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98812	32.9
69.69320	42.4
69.69726	22.4
98.86085	12.6
104.40808	10.8
152.99574	18.4
178.72104	9.9
185.62120	9.7
190.92628	11.3
239.55443	11.9
253.83501	11.1
255.23268	47.3
323.17847	10.9
387.14926	10.9
394.40015	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	391.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51082	6.0
55.17064	6.2
59.01377	100.0
61.98827	10.4
75.93139	7.1
78.95881	6.0
114.16489	6.5
170.75726	6.2
255.23242	28.3
402.29889	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	391.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	4.7
58.00576	1.1
59.01379	26.3
60.99305	1.4
61.98825	7.6
69.03449	1.2
69.26552	0.4
71.01379	7.9
71.04996	0.8
71.11570	0.9
72.99294	1.4
73.02946	10.3
81.03472	0.7
83.01394	2.6
83.05048	0.8
85.02949	1.6
87.00872	0.8
87.04524	2.8
88.98808	6.5
89.02441	6.4
93.03441	0.6
95.01382	0.6
97.06580	1.6
99.04484	0.6
101.02439	8.4
101.06089	0.5
109.06605	1.4
111.04459	0.7
111.08110	0.9
113.02458	3.0
113.09701	0.9
115.00368	0.5
119.03500	1.3
119.05011	0.6
120.99612	0.4
123.08176	3.4
125.02387	0.7
125.09703	1.5
126.99591	0.5
127.11299	2.1
129.09274	0.6
130.38747	0.4
131.03514	0.9
133.01393	0.9
135.04500	1.8
135.08163	1.2
137.09698	0.6
138.06876	0.7
139.11263	1.4
141.09200	2.1
142.22266	0.4
142.76813	0.4
143.03500	0.8
143.10768	2.3
149.04564	1.6
153.09251	2.2
155.10759	1.9
157.12308	1.6
161.04538	2.6
167.10748	0.5
169.12297	1.3
171.10289	1.6
173.04500	0.6
173.11766	0.7
179.03452	1.0
179.05600	1.2
187.07632	0.5
187.13390	2.3
190.55728	0.4
201.11278	0.9
203.05539	0.6
211.13326	0.7
216.84270	0.4
217.14388	0.7
221.06581	0.7
237.18593	0.7
275.09177	0.5
279.19638	0.6
313.23923	1.0
315.21783	2.4
331.17621	1.9
331.24918	0.7
343.24820	4.3
349.18903	0.9
359.24408	2.2
361.25925	47.5
362.26334	5.2
373.25928	11.1
374.26340	1.4
391.26974	100.0
392.27341	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	392.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16485	0.9
56.88309	0.7
59.01371	4.2
61.98829	100.0
71.50920	0.8
72.99287	0.7
78.38029	0.7
87.61900	0.8
88.98789	0.8
113.02377	0.7
123.04490	1.3
142.77348	0.8
165.79623	0.9
170.40361	0.7
185.16399	0.7
216.62712	0.7
232.08475	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32922	0.5
57.03445	9.9
57.72839	0.5
59.01380	13.4
61.59113	0.5
61.98822	1.5
71.01389	3.4
73.02919	0.8
74.75095	0.5
75.42704	0.5
81.03448	0.8
83.01396	0.5
84.04529	2.7
85.02929	1.6
89.02419	1.5
89.97005	0.5
93.03437	2.2
95.05016	1.2
97.02936	0.7
97.06567	0.7
97.98666	0.4
99.04520	7.7
100.04033	1.7
101.02459	4.5
102.05604	57.9
103.05963	1.0
104.73376	0.4
108.04539	2.0
109.02937	2.2
110.06100	3.3
111.04505	1.7
113.02437	1.2
113.06138	0.7
119.03472	0.9
119.05000	0.5
119.08653	0.6
121.06597	0.7
123.04529	0.6
123.08167	0.8
125.02453	2.8
125.06084	3.7
128.03537	21.4
129.03815	0.6
135.04575	1.2
136.05309	3.1
136.07614	0.6
137.02342	0.5
137.09717	1.0
138.06853	0.7
139.07634	2.0
146.04588	5.7
147.04546	0.6
149.06038	1.7
151.07629	4.8
152.08389	2.3
153.09201	2.5
161.04620	0.7
161.09706	0.6
162.09227	0.6
163.07654	0.7
164.07172	0.9
165.09230	2.4
173.04541	4.6
173.51213	0.5
175.07593	0.8
178.10004	0.6
179.03467	0.6
185.09698	0.5
188.08224	0.6
189.09157	0.8
201.12817	7.4
202.10013	0.7
203.10815	2.8
204.11566	6.6
209.11807	0.9
217.12460	0.6
219.13873	10.1
230.09358	2.2
237.84111	0.6
241.29594	0.5
243.17459	0.7
244.13406	1.7
245.11749	4.6
249.13373	3.4
262.14349	0.7
263.12781	4.8
264.13266	1.0
302.17557	1.3
319.12985	0.6
321.04388	0.5
333.15958	1.1
348.18027	4.8
365.18066	0.5
374.16040	10.6
375.16531	1.0
392.17108	100.0
392.27338	2.9
393.17322	11.8
393.21350	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05116	0.5
61.98829	100.0
66.02266	0.5
71.00103	0.7
71.00440	0.8
86.25184	0.5
111.91634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.49289	0.4
71.51613	0.9
219.13438	0.4
329.23404	1.3
333.20795	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91237	1.3
53.17245	1.4
55.01878	2.0
55.65875	1.3
55.86325	1.2
56.36082	1.4
57.03450	100.0
58.03781	1.8
59.01380	80.0
61.98843	2.9
70.69588	4.2
71.01375	15.7
73.02948	6.2
75.18113	1.3
78.38225	1.6
81.03439	1.8
83.01382	3.3
85.02941	9.8
93.03461	1.8
96.29446	1.4
99.00861	3.1
99.04519	83.9
100.04807	1.8
101.02447	35.7
107.22261	1.3
113.02430	6.1
125.02458	24.1
135.04512	1.5
143.03508	2.8
154.73360	1.6
161.04543	6.3
173.04527	4.3
179.18340	1.6
249.13452	33.6
250.13756	2.1
269.17847	1.3
291.14468	2.0
331.17706	1.8
393.17401	4.0
393.21729	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73665	0.8
54.92923	0.9
55.01867	1.7
57.03449	100.0
58.03779	1.9
59.01379	77.2
60.01717	0.9
64.23861	0.8
68.80723	0.8
69.37618	6.0
71.01379	11.0
73.02954	6.1
81.03464	1.1
83.01385	3.4
85.02954	7.0
85.06528	0.8
87.00871	1.0
93.03439	1.7
95.44717	0.9
99.00864	2.3
99.04518	78.6
100.04837	2.5
101.02441	38.1
113.02434	5.5
116.25023	0.8
125.02453	21.7
143.03542	2.5
159.02914	1.0
161.04564	5.0
173.04538	3.1
190.20865	0.8
224.03568	0.8
226.88933	0.9
235.05957	0.9
249.13423	32.0
250.13690	3.1
291.14441	2.6
358.79828	0.9
393.17548	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	393.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11192	0.9
55.01870	1.2
57.03447	100.0
58.03772	1.4
59.01378	74.3
69.60260	0.9
71.01381	12.1
73.02950	5.0
81.03461	1.0
83.01368	4.1
85.02951	7.2
87.00880	1.5
88.98782	1.2
89.02437	1.8
93.03455	2.1
95.01372	1.3
98.20080	5.0
99.00864	1.7
99.04517	75.8
100.04866	2.4
101.02437	31.8
101.74396	0.9
102.05607	2.0
113.02423	4.7
125.02448	19.6
128.03510	1.3
143.03493	1.8
146.04549	1.0
150.39490	1.0
159.02975	2.1
159.78226	1.0
161.04550	5.0
173.04553	5.0
249.10881	1.9
249.13419	31.8
250.13579	1.4
251.38545	1.1
276.24924	1.0
291.11426	1.1
291.14572	1.9
308.92108	1.3
373.26764	1.0
393.17722	5.1
394.18481	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03443	2.5
58.00605	4.2
59.01380	100.0
60.01719	1.3
63.46344	0.7
64.99601	0.6
70.05570	0.7
70.35042	2.3
71.01381	51.9
72.01700	0.8
72.99312	3.2
73.02963	1.4
83.01401	2.7
85.02953	8.5
87.00877	2.5
89.02445	67.4
90.02790	0.9
95.01410	3.5
99.04533	1.2
101.02443	36.4
108.65208	0.7
113.02454	20.9
119.03499	35.4
120.03827	1.0
125.02449	0.8
127.56661	0.7
131.03514	2.4
143.03496	4.8
149.04558	3.0
161.04613	3.6
164.09589	0.8
173.04585	2.4
179.04109	1.2
179.05589	9.4
231.15962	3.5
243.07938	0.8
393.21277	73.8
394.21698	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	393.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01716	1.3
61.98832	1.0
71.59323	0.4
98.19901	1.1
101.34373	0.5
112.83586	0.4
138.57152	0.4
149.90099	0.4
207.77687	0.4
231.57230	0.3
251.07224	1.5
295.06012	0.5
296.07159	0.5
308.42114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	10.8
61.98830	11.7
69.58866	5.4
69.59280	2.7
78.95879	1.4
80.91676	6.4
83.97261	1.2
92.00860	1.6
93.03435	1.7
99.92597	2.3
117.03485	3.0
127.76501	1.3
145.02953	8.9
154.10001	2.4
177.12831	2.9
181.65746	1.7
195.13846	2.6
219.09998	3.1
233.11571	4.5
249.22241	3.7
258.12222	1.6
262.11844	8.4
293.21207	57.1
294.21506	4.4
296.29819	1.8
301.31897	1.8
311.22278	84.5
311.43860	1.6
312.22580	9.4
315.19360	10.9
333.20462	100.0
334.20743	11.5
393.22211	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	393.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	33.8
63.64162	25.9
70.29400	100.0
85.30553	28.3
101.50006	28.2
149.33174	31.8
217.43056	31.0
390.31442	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98828	100.0
65.74993	0.4
71.22610	0.7
78.54385	0.4
78.93210	0.4
78.95869	0.4
84.00931	0.9
87.67919	0.4
126.92667	0.4
137.56947	0.4
145.02965	0.5
181.41548	0.4
222.08856	0.5
223.09593	0.5
256.39056	0.4
285.07019	1.2
309.20715	2.5
331.19131	1.1
394.18488	5.3
395.18625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.5
61.98827	100.0
71.52401	0.5
74.37253	0.4
84.00904	0.8
96.96014	0.4
99.94821	0.3
105.01936	0.5
141.30846	0.4
145.03168	0.3
149.50400	0.4
249.32103	0.3
262.11899	0.7
291.19769	1.9
293.21188	0.5
309.20654	1.8
325.10178	0.4
394.18411	6.9
395.18832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17121	2.3
59.01380	55.9
61.98819	5.8
68.99826	3.2
69.03434	2.5
70.84338	5.2
71.01382	21.2
73.02936	3.5
83.01385	4.6
85.02959	4.1
87.00845	3.5
95.96304	2.6
99.00881	30.5
100.81718	2.6
101.02431	7.4
108.02173	7.4
109.02889	3.1
111.00869	7.4
113.02549	2.7
123.04544	6.8
124.01647	5.8
125.02406	2.6
127.00367	3.2
132.02193	5.5
133.02823	3.0
134.03755	23.5
134.89149	2.5
135.04504	8.6
137.02414	3.1
141.01967	3.0
143.04980	2.5
145.02956	9.1
146.03719	25.1
147.04543	16.2
148.01651	7.6
148.05296	16.2
149.02557	3.3
149.06036	13.7
150.03163	3.7
151.47287	2.4
158.03670	7.0
159.04475	14.4
160.01660	27.7
160.05289	26.5
161.02397	12.4
161.06076	18.5
162.03229	58.0
162.06787	6.4
163.04015	15.3
163.07584	5.4
164.04756	7.3
165.05551	2.8
170.03752	3.0
171.04524	5.6
172.05289	12.0
173.02455	4.2
173.06035	22.8
174.03151	10.9
174.06804	3.2
175.03989	53.5
175.07564	7.9
176.04776	13.0
177.01979	2.9
177.05557	90.1
178.06277	14.2
179.07066	4.5
184.05234	12.0
185.04492	3.7
185.06058	10.5
186.03224	4.4
187.04007	16.1
187.07623	5.7
188.04779	67.6
189.05574	16.0
190.02739	25.8
190.06326	14.7
191.03348	6.3
191.07106	10.7
193.04958	4.1
193.08624	7.0
199.04016	2.6
199.07565	4.9
201.05504	10.2
202.06331	17.6
203.03558	3.8
203.07158	26.0
204.04253	20.8
205.05061	39.8
205.08612	4.9
207.06671	6.4
213.05527	4.3
214.06317	17.3
215.03513	8.8
216.04192	12.6
217.08701	32.7
218.02159	6.3
219.03053	5.7
219.06613	71.6
220.03682	4.0
220.07030	3.2
221.08141	40.4
222.08499	4.6
228.04176	3.0
229.05125	4.4
229.08655	8.0
231.06601	49.9
232.07124	8.0
233.04562	33.1
234.05296	2.8
235.06102	51.3
243.06564	3.1
244.07356	3.4
247.06160	6.5
247.09569	5.0
249.07677	42.1
250.08168	5.3
251.05577	23.3
258.05234	11.0
259.09671	7.3
261.04001	6.7
261.07416	2.4
265.07104	10.1
266.99576	2.6
273.07602	20.7
275.05591	40.6
276.06131	8.2
291.08749	43.9
292.09076	3.5
293.06674	52.4
309.09720	6.1
324.97983	2.4
335.07681	43.7
336.07974	5.5
353.08734	100.0
354.09012	10.8
395.09836	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
57.03448	100.0
58.03762	1.4
58.54527	1.2
59.01379	95.7
61.98820	1.9
69.34163	8.7
71.01012	1.7
71.01382	26.1
72.84340	1.2
72.99294	1.0
73.02946	9.2
77.69057	1.0
83.01383	4.3
85.02950	12.1
89.02460	5.5
89.06136	0.9
94.28241	1.0
95.01397	1.8
98.19769	1.3
99.00885	4.7
99.04517	84.7
100.04873	1.9
101.02439	44.8
113.02446	13.5
125.02442	37.1
143.03517	4.7
159.02969	3.9
159.23958	1.0
161.04564	14.4
202.50859	1.1
233.10326	4.0
239.05466	1.8
251.11337	56.0
252.11661	2.1
280.48987	1.0
293.12375	16.7
294.12769	1.2
298.27686	1.1
333.15488	4.9
395.11453	1.3
395.15643	10.1
396.16025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
57.03445	100.0
58.03773	1.9
59.01377	93.5
60.01702	1.3
69.38638	3.0
69.39062	4.8
71.01380	25.9
73.02937	7.6
80.61632	1.0
83.01379	4.7
85.02943	12.9
87.04548	1.3
88.08347	1.1
88.40089	1.2
89.02415	5.1
95.01387	2.3
95.48075	1.0
99.00861	2.8
99.04515	81.8
100.04834	2.0
101.02439	42.8
113.02457	12.4
125.02442	33.1
126.02769	1.5
143.03494	4.6
146.67154	1.1
152.64435	1.0
159.02948	2.8
160.17377	1.1
161.04555	16.5
233.10345	3.4
251.11333	58.1
252.11731	3.3
293.12372	16.8
294.12485	1.1
333.15567	3.9
395.15454	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	395.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04174	0.8
55.01874	1.5
57.03446	100.0
58.03781	1.7
59.01379	77.2
60.01693	1.1
60.79083	0.8
69.77824	1.5
69.78220	2.1
71.01384	13.3
73.02952	5.9
81.03452	1.3
83.01382	4.1
85.02957	7.9
86.81174	0.8
89.02450	2.0
95.01392	1.5
96.76305	0.9
99.00876	1.9
99.04515	81.6
100.04843	2.5
101.02441	32.0
101.03109	1.6
102.02773	1.5
108.73549	0.7
110.59749	0.8
113.02461	6.9
125.01537	1.1
125.02449	21.5
143.03468	2.7
157.25742	0.7
159.03004	1.3
161.04550	8.2
206.99481	0.9
207.92735	0.8
209.74870	0.8
251.11339	27.7
252.11736	1.0
293.12433	2.9
361.65332	0.8
395.15427	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	396.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	13.9
61.98829	100.0
69.92069	2.1
71.01387	3.0
72.99303	3.7
73.02961	1.3
78.95911	0.9
83.01398	1.0
85.02962	0.5
89.02458	1.6
93.03455	0.5
94.60275	0.4
101.02448	2.4
108.02186	1.4
108.96639	0.4
109.02959	1.5
113.02454	1.4
114.05648	0.7
119.03545	1.1
119.05036	1.4
122.61027	0.6
134.03737	3.2
135.04535	2.0
136.03995	0.5
137.02460	1.3
149.04488	0.7
149.06078	1.0
152.01183	1.5
153.01950	1.2
153.66655	0.5
156.00876	0.5
161.02425	1.2
161.04572	0.9
163.04041	1.4
171.10240	1.2
173.04579	1.1
178.02727	2.0
179.03481	1.0
193.05037	5.0
221.06836	0.7
234.09735	0.6
289.12186	0.5
299.06528	1.6
396.17484	0.6
397.11264	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	396.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60736	0.5
59.01371	2.1
61.98827	100.0
69.15379	5.6
82.93538	0.5
90.62563	0.6
119.19853	0.7
146.31003	0.5
149.11935	0.5
152.99590	0.5
171.93758	0.5
192.35101	0.5
199.13438	0.8
316.08261	0.6
333.20541	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	397.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53746	1.0
53.24998	1.0
57.03447	83.8
58.03780	1.4
59.01377	100.0
60.01704	1.3
61.98829	10.9
64.89235	1.0
69.62420	3.6
69.62829	3.2
71.01382	20.6
72.99303	2.4
73.02934	3.9
78.95905	6.3
81.03453	1.4
83.01373	2.0
85.02943	4.2
87.00880	1.2
89.02443	24.1
90.31532	1.0
93.03436	1.2
94.93787	1.0
96.54119	1.0
99.04519	77.3
100.04829	2.1
101.01793	2.2
101.02441	28.8
109.02960	2.3
113.02446	7.6
119.03492	8.5
121.02923	1.3
123.04520	6.1
125.02440	27.2
134.03720	4.8
139.99416	1.2
141.00125	4.7
143.03502	1.5
149.04507	1.1
149.06129	1.3
152.99573	9.9
153.01871	1.9
153.05569	7.4
161.04514	3.1
168.99654	18.2
172.67073	1.0
173.04553	2.5
178.02769	1.7
179.03453	1.3
179.05637	3.6
193.01399	4.9
193.05025	5.8
220.83301	1.2
253.07434	13.4
295.08536	5.4
335.11652	1.1
340.24658	1.2
349.35434	1.0
361.14896	1.5
386.75681	1.1
397.11670	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	397.1688
Annotation	Decarboxy-Norlobaric Acid
Peak:m/z	Relative Intensity
59.01331	0.2
70.75025	0.3
75.61997	0.1
79.95735	5.2
88.29561	0.1
94.01971	0.2
95.94669	0.2
95.95228	1.8
96.96011	0.5
110.97575	0.3
112.90079	0.1
141.95761	0.3
151.00732	0.2
173.76477	0.1
184.36624	0.1
273.11731	0.2
307.19122	0.3
325.19870	0.2
353.17892	1.7
354.18143	0.2
369.17383	0.6
397.16855	100.0
398.17172	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	397.1687
Annotation	Decarboxy-Norlobaric Acid
Peak:m/z	Relative Intensity
51.44307	0.1
58.49716	0.2
59.01376	0.9
61.98818	0.6
62.71518	0.1
69.22195	1.2
79.95737	6.2
79.96210	0.3
80.96483	0.3
81.06389	0.1
95.95220	1.3
96.96005	0.6
97.06519	0.1
109.96835	0.2
110.97567	0.8
131.24916	0.1
135.04544	0.1
140.26468	0.1
141.95749	0.3
152.99559	0.2
317.21106	0.2
353.17938	1.1
354.18152	0.2
359.27988	0.4
369.17377	0.5
397.16861	100.0
398.17169	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	397.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
61.98818	0.7
79.95736	6.4
80.96519	0.4
95.95213	0.9
96.96011	0.9
109.96766	0.2
110.97598	0.6
135.04552	0.2
141.95792	0.2
152.99501	0.2
161.02370	0.3
311.83954	0.2
317.21423	0.3
353.17896	1.2
359.27844	0.4
369.17587	0.3
397.16861	100.0
398.17215	12.3
398.21390	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
57.03439	1.3
59.01379	7.4
61.98828	2.8
63.43617	0.6
68.82589	0.6
69.45365	0.5
71.01369	1.8
72.02160	0.7
79.95746	5.0
83.05045	0.8
84.02139	0.6
85.02975	0.7
90.40779	0.6
95.05031	0.6
95.95234	1.5
96.96017	1.1
97.06600	5.9
105.24716	0.7
109.06597	1.0
111.08156	1.4
112.17404	0.6
112.28252	0.5
119.82576	0.5
123.08225	0.6
125.09729	4.0
127.07666	2.1
127.11303	0.8
135.04504	1.0
135.08163	1.2
136.89130	0.6
137.09729	1.3
149.09688	3.3
151.11250	0.7
153.09206	2.3
155.10768	1.2
161.02429	1.2
163.11279	1.4
171.10258	3.6
173.02243	0.7
173.04532	0.7
185.11760	3.8
189.09207	0.8
197.10275	0.7
197.11758	3.2
201.11333	6.4
207.10278	1.4
209.11833	12.8
213.11293	5.1
225.11203	0.7
238.12100	0.9
245.19174	0.9
279.16010	0.9
287.16586	1.7
289.18042	4.6
305.17496	3.3
307.19128	22.3
308.19507	2.2
325.20184	15.4
326.20456	1.6
379.21368	1.5
397.16864	100.0
398.17133	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	397.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30692	0.6
57.03436	2.3
59.01382	2.9
61.98826	2.2
64.09982	0.6
69.96070	2.6
71.01366	0.6
75.11674	0.5
78.22928	0.5
102.36849	0.5
123.08204	0.8
137.09682	2.8
152.04289	0.6
199.65891	0.6
226.17606	0.6
239.33788	0.6
253.15971	2.4
255.17537	5.5
256.17950	0.7
269.19110	4.6
271.20648	38.7
272.20935	4.5
303.19656	1.1
315.19611	100.0
316.19952	11.7
335.97632	0.6
397.19910	55.2
398.20306	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	397.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62140	1.0
59.01367	2.2
60.28846	0.9
70.67408	2.1
79.63432	1.2
79.95736	10.6
80.96519	1.5
83.05051	1.1
91.19271	0.8
92.52536	0.9
94.98042	1.1
96.96008	83.6
99.04181	0.9
122.97544	5.8
184.12761	1.0
279.23273	1.0
302.34109	1.1
397.22620	100.0
398.22946	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	397.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92573	0.7
61.98819	1.0
63.14096	0.7
63.51284	0.7
70.70827	1.4
70.71152	1.0
73.04066	6.9
78.71865	0.8
79.95734	4.4
90.62121	0.8
95.95214	0.8
96.96011	28.2
122.97564	1.4
130.08734	62.2
131.09166	0.9
143.11896	83.5
144.12274	3.4
153.78476	0.7
162.56038	0.6
187.10905	4.3
226.21767	3.2
238.21942	0.8
266.21286	5.3
267.07892	0.9
279.23181	1.1
353.31604	7.6
354.31915	0.8
397.22794	38.8
397.30655	100.0
398.22882	3.0
398.30988	12.0
424.87451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53207	0.7
55.01862	0.9
57.03438	1.4
58.00590	2.8
59.01381	77.9
60.01712	0.7
61.98829	1.6
69.14670	7.1
71.01381	40.7
72.99308	1.9
73.02934	1.5
83.01382	1.7
85.02951	7.4
87.00890	1.2
89.02444	40.7
92.20214	0.7
95.01382	2.6
97.48352	0.6
101.02446	25.0
105.59322	0.7
113.02450	13.2
119.03506	16.6
120.03840	0.9
131.03537	0.9
143.03511	1.5
149.04575	1.1
161.04608	1.8
166.37627	0.6
173.09714	0.9
175.11273	19.6
176.11591	1.2
179.05609	2.9
193.12321	1.4
212.27451	0.7
219.10150	2.1
219.12404	0.7
291.56580	0.7
399.16577	100.0
400.16925	11.9
404.49136	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
57.03444	2.0
58.00579	3.7
59.01378	84.2
61.01803	1.9
61.98819	6.2
64.45293	1.7
65.68961	1.7
69.34903	14.0
70.67133	1.9
71.01379	37.6
73.02948	1.9
83.01366	2.8
83.05012	5.6
85.02945	8.0
89.02440	36.0
91.05501	2.3
93.07092	3.0
95.01368	4.5
98.20068	6.6
101.02437	20.0
113.02450	12.3
119.03512	9.6
128.62112	1.7
133.10210	5.2
145.06560	4.7
153.69331	2.0
157.10196	2.0
159.08147	6.3
160.08923	44.1
161.09276	3.0
173.09695	9.9
175.11267	95.3
176.11583	4.9
179.05685	3.4
196.68211	2.1
219.10248	99.8
220.10646	5.5
312.43985	2.2
366.16153	2.0
399.16586	100.0
400.16895	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	399.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41742	0.2
55.64840	0.2
59.01365	0.6
61.98834	0.4
64.99845	0.2
69.67290	1.0
70.26832	0.2
76.38426	0.2
77.06207	0.2
79.95743	1.1
84.95118	0.8
90.13152	0.2
95.95269	0.2
96.96010	8.5
98.19975	0.2
119.05061	0.2
133.02919	0.2
135.04491	0.3
152.99583	0.4
161.02397	0.9
168.69116	0.2
181.05063	0.3
197.11771	0.3
249.33954	0.2
325.20258	0.3
339.76608	0.2
371.28055	0.3
381.17380	1.1
399.18439	100.0
400.18747	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	399.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.3
59.01366	0.4
59.56917	0.2
60.47197	0.2
61.98830	0.3
62.83616	0.2
64.37892	0.2
69.22414	0.9
69.22848	0.8
77.25296	0.2
79.95733	0.8
80.96497	0.4
81.15585	0.2
93.51875	0.2
95.95238	0.3
96.96008	4.5
113.09718	0.7
119.05009	0.5
121.44697	0.2
125.09737	0.3
127.11324	0.4
135.04523	0.5
155.10680	0.2
161.02399	0.2
163.04013	0.4
171.10248	0.4
179.03493	0.3
181.05084	0.5
201.11339	2.6
211.58330	0.2
213.11313	1.2
226.18085	0.4
233.15427	0.2
287.20102	0.2
291.19586	0.2
309.20679	0.7
325.20148	0.3
327.14130	0.2
327.21722	2.9
328.21994	0.2
363.17657	0.2
381.17392	0.5
387.02051	0.2
399.18430	100.0
400.18744	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	399.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.2
66.91376	0.2
69.25862	1.4
70.33618	0.2
72.99302	0.2
79.95732	4.7
80.66741	0.2
80.96507	0.2
95.95219	0.9
96.96006	6.0
98.20694	0.4
110.97543	0.2
131.26151	0.2
135.41234	0.2
142.49670	0.2
161.02391	0.2
251.25082	0.2
399.18420	100.0
400.18741	11.9
400.24185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33946	0.2
59.01378	0.4
61.98833	1.1
69.50887	1.2
70.79886	0.1
71.15322	0.2
79.28447	0.2
79.95736	5.7
80.96542	0.2
95.95243	0.6
96.96007	0.7
98.19905	0.3
110.97580	0.2
141.95758	0.4
267.09140	0.2
309.10303	0.3
311.22354	0.2
341.23270	0.2
399.18423	100.0
400.18753	10.8
400.24161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	8.7
58.00596	1.5
59.01372	6.2
61.98830	5.6
63.04794	1.4
70.21215	5.3
71.05003	1.5
71.95838	1.4
72.99289	1.7
96.96008	5.4
97.06577	3.8
98.95581	1.3
113.09729	19.5
119.05031	3.5
125.09713	10.6
127.11297	11.7
132.30583	1.4
133.02930	2.3
135.04541	4.2
137.09735	2.6
141.09236	3.2
151.11295	2.9
153.09232	2.9
155.10754	3.4
161.02426	4.8
163.03998	2.0
165.09209	4.1
171.10258	9.6
179.03470	2.5
181.05055	2.7
195.10263	4.7
199.09770	2.4
201.11317	74.4
202.11647	3.0
213.09254	2.8
213.11301	48.3
213.13243	3.1
214.11707	2.3
227.12811	1.6
250.14064	1.4
263.20084	2.0
272.88718	1.7
281.21057	1.6
291.19647	8.9
309.20731	23.7
327.21735	100.0
328.22058	9.5
342.22617	2.0
399.18427	20.7
412.30948	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46999	0.6
56.58576	0.6
59.01379	5.7
61.98825	4.6
69.85620	1.1
69.85970	2.5
70.06900	0.6
77.69090	0.6
78.25194	0.7
80.67365	0.6
85.20827	0.6
105.01929	3.9
134.16850	0.6
153.45454	0.7
219.79716	0.6
317.21176	100.0
318.21536	10.2
371.15869	0.7
399.21518	43.2
400.17471	1.3
400.21988	3.6
409.76651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03209	47.2
54.87988	39.7
71.52375	46.7
71.52742	57.2
75.60326	44.5
78.95901	54.9
89.05516	41.3
90.47295	42.2
103.61928	48.7
153.71822	45.8
170.22153	50.2
353.54892	45.1
398.70151	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	399.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01725	1.3
61.69511	0.7
61.98825	1.7
72.99309	0.9
87.00905	0.9
90.34627	0.7
105.01960	2.3
116.12466	0.7
118.44828	0.7
170.83075	0.8
171.10231	0.9
203.83479	0.8
209.11858	2.7
317.21191	6.3
360.41647	0.8
399.21893	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	400.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67465	0.9
57.03438	2.3
58.70652	0.8
59.01378	31.9
61.98828	12.1
67.01892	2.5
69.21361	7.7
71.01382	17.2
72.99310	1.5
73.02988	1.1
78.95937	0.8
81.03446	0.9
85.02938	4.3
87.00883	1.6
87.05643	1.4
88.04036	1.2
89.02441	19.0
93.03455	17.9
95.01376	1.3
96.95986	1.9
98.20741	1.4
99.04518	0.9
101.02449	7.7
109.02939	1.8
111.00900	1.0
111.04506	3.5
113.02450	6.1
115.00345	1.4
119.03536	7.1
119.05017	14.0
129.06760	1.0
132.03052	1.2
135.04575	1.2
137.02419	3.3
143.03450	1.3
153.03040	2.4
155.03494	3.2
161.02402	1.4
161.04597	1.5
163.03996	11.9
173.04538	100.0
174.04880	3.8
179.05635	7.4
191.05600	13.4
195.04128	3.6
195.06564	2.9
197.04671	0.9
200.48596	0.9
203.10947	0.9
215.64557	0.8
315.28732	0.8
337.09259	28.7
338.09583	2.6
341.10855	23.5
357.17673	2.4
400.16882	2.4
401.18036	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	401.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.2
57.68438	0.9
57.75204	1.2
59.01376	29.8
61.98819	3.6
69.34380	2.2
69.34789	5.1
71.01010	1.7
71.01379	18.9
72.99311	1.4
73.02941	1.6
85.02954	5.0
87.00887	1.3
89.02436	20.7
89.02947	1.6
93.03461	1.1
95.01348	1.2
101.02440	11.3
109.02995	1.3
112.04164	1.2
113.02449	8.4
119.03502	9.3
123.04519	67.7
124.04809	1.8
126.51827	0.9
135.04532	1.9
139.07629	3.8
143.03491	2.1
153.05566	100.0
154.05888	3.7
161.04546	2.7
168.07913	2.3
179.05595	8.7
197.08255	1.2
202.45947	0.9
239.12706	2.4
298.47040	1.0
341.10828	28.3
342.11157	2.2
357.11874	3.2
401.18225	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	401.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.0
59.01376	70.2
69.00630	2.0
69.17564	1.9
70.63456	2.9
70.63777	3.9
71.01376	46.0
72.99311	2.7
85.02954	6.2
87.00849	2.5
89.02441	73.1
98.19762	1.9
101.02440	22.5
111.10339	2.1
113.02445	23.0
119.03509	21.4
122.10705	2.2
131.03532	3.6
143.03554	6.9
161.04541	7.5
179.05617	23.6
183.17735	2.4
191.05740	2.9
228.58765	2.1
260.15891	2.2
289.64938	2.0
299.26184	2.3
341.10873	100.0
342.11130	5.1
394.14182	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	401.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	0.4
59.01377	12.8
61.98801	0.6
69.26869	1.6
69.27292	2.0
69.93073	0.4
71.01392	6.7
72.99308	0.9
73.02922	1.2
79.95690	0.9
82.64753	0.4
83.01357	0.6
85.02928	1.8
87.00865	0.4
89.02451	7.3
91.02794	0.4
93.03446	2.4
94.44247	0.4
95.01376	0.6
96.96008	53.1
97.06581	0.8
97.95917	0.7
98.19928	1.0
99.00873	0.8
101.02447	4.9
109.02929	0.6
111.04510	0.7
113.02471	2.8
119.03500	2.2
131.03529	0.5
135.04457	1.1
137.02402	0.9
143.03488	0.8
155.03410	0.5
161.04555	1.0
173.04539	5.8
179.03445	0.6
179.05560	2.8
181.05074	0.5
191.05594	0.8
197.06406	0.6
209.11774	1.0
221.11681	2.0
227.12784	0.6
306.16217	0.4
341.10818	9.1
342.11496	0.7
383.15277	0.6
386.68277	0.4
396.48785	0.4
401.16339	100.0
402.16632	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	401.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94580	0.4
55.01864	2.3
57.03444	4.0
58.00585	1.3
59.01379	29.9
65.76359	0.4
70.26357	1.1
70.26693	0.4
71.01379	20.8
72.01687	0.5
72.99298	1.7
73.02943	5.0
83.01385	4.2
85.02949	10.0
87.00883	1.1
89.02438	11.2
95.01376	1.7
97.02893	0.5
99.00887	2.0
101.02443	16.0
102.02753	0.6
111.00840	0.5
113.02442	7.5
114.02773	0.6
119.03497	3.7
123.08159	3.0
124.19387	0.5
131.70735	0.4
161.04547	1.8
177.12849	5.1
179.05568	1.0
187.28960	0.4
190.96700	0.4
191.10628	0.5
195.13867	2.4
221.11823	2.7
298.13824	0.4
341.10742	2.3
401.18127	100.0
402.18475	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85263	0.9
55.01888	1.1
57.03442	6.1
58.00581	3.3
59.01376	100.0
60.01705	1.1
61.98824	3.0
67.45472	0.7
69.71982	4.4
71.01377	53.4
72.99300	3.5
73.02950	2.0
83.01370	2.8
83.07732	0.7
85.02946	10.7
87.00873	3.0
89.02441	66.7
90.02767	1.0
95.01381	3.7
99.04517	4.1
101.02435	36.3
108.02145	1.9
109.02941	1.7
110.21711	0.8
113.02439	22.4
115.34476	0.7
119.03491	36.5
125.02547	1.3
131.03461	3.1
143.03474	4.2
144.03816	1.0
149.04559	2.4
151.07619	1.7
152.01154	1.4
161.04518	4.7
179.05592	11.9
179.10777	1.7
181.45163	1.0
203.10699	4.2
221.10159	0.9
221.11847	7.5
341.10898	15.4
341.14899	1.7
342.11148	1.1
365.14532	2.9
401.18124	58.2
402.18439	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	401.1813
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01878	1.9
57.03442	2.2
58.00594	3.6
59.01377	100.0
60.01705	1.2
64.92706	0.7
70.34301	1.7
70.34694	1.4
71.01379	53.3
72.99303	3.6
73.02959	1.5
73.43845	0.7
77.13519	0.7
83.01396	2.7
85.02946	11.8
87.00877	2.9
89.02441	65.7
90.02789	1.3
95.01391	3.2
99.00874	1.1
101.02441	34.0
108.02169	1.1
109.02958	0.7
113.02443	23.1
113.83479	0.7
119.03494	32.8
119.21394	0.7
125.02435	0.8
126.94345	0.8
131.03499	3.3
143.02490	1.0
143.03471	5.3
149.04523	2.2
161.04567	4.9
163.07651	0.8
177.09129	0.9
179.05586	9.6
179.10727	0.8
196.10564	0.8
203.10779	4.1
221.11816	9.7
243.87503	0.7
266.33234	0.7
341.10944	5.3
342.11673	0.8
401.18137	55.3
402.18497	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	401.1816
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
52.16697	0.9
55.01863	1.9
55.89510	1.0
57.03450	11.0
58.00579	2.5
59.01380	69.8
61.98835	4.5
70.70602	1.0
70.99742	1.5
71.00076	1.3
71.01382	43.4
72.01723	1.0
72.99289	2.8
73.02934	6.1
75.00819	1.2
83.01392	2.7
85.02954	13.3
87.00864	1.5
89.02442	37.8
93.03454	1.2
95.01385	3.4
96.96027	1.8
98.93616	0.9
99.00861	1.4
99.04519	3.6
101.02438	28.9
103.04002	1.2
113.02451	20.7
119.03490	13.0
123.04520	13.1
125.02472	2.5
128.03522	1.3
129.07089	1.5
143.03476	2.4
143.08629	4.7
153.05585	15.3
159.11781	9.5
161.04543	4.1
173.04552	1.6
175.11244	1.3
177.12791	2.9
179.05598	8.3
192.03925	1.0
221.11841	19.2
222.12178	1.3
297.09872	1.5
341.06754	1.7
341.10855	31.4
366.11835	1.4
401.18158	100.0
402.18469	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	401.1814
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
57.03462	1.0
58.00594	1.8
59.01379	56.7
69.00991	0.9
69.39864	0.8
71.01379	28.7
72.99317	2.0
73.02929	1.5
83.01393	1.7
85.02946	7.2
89.02445	28.4
95.01379	3.0
101.02438	19.0
113.02441	11.9
113.12436	1.0
119.03496	13.7
123.08234	1.2
131.03432	1.4
143.03429	1.2
143.08661	13.3
144.08984	1.3
149.04642	1.0
159.11786	11.4
168.39476	0.9
169.35080	0.9
175.11293	1.8
177.12836	4.3
179.05592	2.8
221.11819	47.7
222.12177	2.9
267.70224	0.9
341.10779	4.2
381.17242	1.0
401.18124	100.0
402.18491	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	401.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
57.03446	3.4
58.00584	1.1
59.01380	30.5
69.20719	1.1
69.21124	3.5
71.01381	25.4
72.99308	1.6
73.02947	5.7
82.40502	0.5
83.01384	3.8
85.02950	10.2
86.00114	0.6
87.00889	1.3
89.02445	14.7
93.12389	0.5
95.01391	1.7
97.02918	0.5
98.20517	1.9
99.00856	2.7
101.02443	18.5
101.03113	1.0
111.00878	0.8
113.02449	9.9
119.03490	4.8
123.08152	2.8
125.02477	0.5
131.03505	0.7
143.03479	0.6
155.03537	1.2
161.04541	1.7
161.09669	0.5
171.10265	1.0
172.85083	0.6
173.04581	1.1
177.12836	5.0
179.05640	2.6
195.13872	2.3
208.07895	0.5
221.11833	2.9
296.28455	0.6
327.18195	0.5
341.10864	7.3
342.11081	0.7
363.49268	0.5
401.18152	100.0
402.13229	0.4
402.18433	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	401.2
Annotation	Cortisone acetate
Peak:m/z	Relative Intensity
59.01369	0.4
63.24830	0.1
63.28746	0.1
71.01370	0.2
79.95734	3.1
82.82118	0.2
89.02425	0.2
95.95229	1.0
96.95995	0.3
98.44553	0.1
102.12735	0.1
103.27437	0.1
207.29543	0.1
208.17587	0.2
219.06903	0.2
222.78755	0.1
318.06955	0.2
341.10901	0.3
341.17780	0.4
383.18973	3.6
384.19302	0.4
401.19983	100.0
402.20328	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2001
Annotation	Cortisone acetate
Peak:m/z	Relative Intensity
50.12733	0.1
50.96605	0.1
59.01365	0.4
61.98832	0.7
70.26432	0.3
71.01357	0.2
79.95281	0.3
79.95730	3.1
79.96200	0.1
85.02957	0.3
89.02404	0.3
91.04006	0.2
95.95220	0.4
96.96013	1.5
110.97605	0.2
113.02427	0.1
121.02958	0.6
141.95737	0.2
165.52768	0.1
171.10228	0.8
211.13359	0.3
309.20511	0.2
313.07162	0.2
327.21759	2.1
328.22028	0.2
341.06866	0.3
341.10831	0.5
356.08859	0.1
371.11331	0.5
383.18982	3.5
384.19675	0.3
386.13367	0.1
401.19995	100.0
402.20343	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	401.2
Annotation	Cortisone acetate
Peak:m/z	Relative Intensity
57.03439	0.3
59.01379	4.8
61.98811	0.6
70.68646	0.5
70.68976	0.3
71.01378	3.4
72.99311	0.4
73.02957	0.4
79.95742	0.5
83.01392	0.4
85.02947	0.6
87.00896	0.3
89.02446	3.6
89.39246	0.2
93.03465	0.6
95.95263	0.3
96.96007	26.8
99.00877	0.7
101.02441	1.7
111.00841	0.2
111.04491	0.2
112.98799	1.9
113.02426	0.7
113.28960	0.2
113.36324	0.2
118.72778	0.2
119.03508	1.3
119.05052	0.3
135.04510	2.2
142.99867	2.6
161.02330	0.3
161.04573	0.4
164.04691	0.2
170.88623	0.2
173.00893	2.0
173.04527	1.8
178.02695	0.4
179.03514	0.8
179.05589	1.1
179.06998	0.2
181.05086	0.2
187.09828	0.2
190.76961	0.3
191.05577	0.4
193.15906	0.2
197.11797	0.6
207.38495	0.2
209.11870	1.0
210.07953	0.4
227.12805	0.6
237.06779	0.3
238.07227	0.3
239.08107	0.3
250.79793	0.2
252.05299	0.3
253.09776	0.3
265.06161	0.3
266.06860	1.3
267.06931	0.2
281.09286	2.4
307.07227	0.4
313.11963	0.9
325.08289	0.7
341.10873	5.5
342.11063	0.3
357.10028	0.7
369.07089	0.8
383.19016	0.8
384.19702	0.2
386.18857	0.2
401.20010	100.0
402.20355	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	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01379	100.0
61.98828	4.0
70.34273	1.1
70.34644	1.1
71.01387	2.2
89.02450	2.0
93.03523	0.5
101.02432	0.8
119.03519	0.8
121.02954	10.2
121.03780	0.9
122.03262	0.5
123.08266	0.5
133.02991	1.3
135.04520	4.9
139.04036	0.8
139.11238	0.6
141.28667	0.5
149.02449	4.2
150.03030	0.5
161.02431	5.5
179.03537	4.9
179.05630	1.2
225.05595	0.5
243.68820	0.5
249.12764	0.5
267.06641	0.9
276.37958	0.6
311.05811	0.8
313.07346	2.2
327.22055	1.0
341.10785	2.8
401.08771	3.3
401.20129	2.3
401.25522	2.2
422.13733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60053	0.3
54.26935	0.3
59.01374	1.8
61.98830	100.0
70.66188	0.9
71.01411	0.4
71.04994	0.4
74.99087	0.6
79.95738	2.1
85.02975	0.3
85.16345	0.3
88.98807	0.3
89.02446	0.6
89.42344	0.3
91.04019	0.6
93.03443	0.6
96.96019	0.8
97.06618	0.9
109.02950	0.4
111.08170	0.7
121.02965	1.5
122.03299	1.5
125.09741	1.1
133.02980	0.9
135.04543	0.8
136.99069	0.5
159.06572	0.4
161.02441	0.5
167.07100	0.6
171.10309	0.8
173.04565	1.1
173.08121	0.3
177.01837	0.5
179.03444	0.5
187.20950	0.4
191.05664	0.5
211.13373	0.3
212.23546	0.4
215.12883	1.3
242.85156	0.4
303.16031	1.5
306.07352	0.8
313.14426	0.4
314.07571	0.8
321.17056	1.0
327.16074	0.5
327.21808	0.7
328.22089	3.5
342.11267	0.6
402.09189	1.1
402.15060	0.7
402.20383	14.1
403.19608	2.5
403.26248	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.7
61.98827	100.0
65.40894	1.0
71.52509	1.3
72.88153	1.4
82.31152	1.2
91.95822	1.4
103.17677	1.1
104.38082	1.3
151.55270	1.2
163.11267	5.2
182.40646	1.1
279.60648	1.3
339.23358	5.8
403.26358	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	403.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.0
60.99308	15.2
61.98830	33.9
66.90656	0.8
68.99556	3.4
71.52110	1.0
72.99309	0.9
78.29210	0.9
87.00926	0.7
88.98805	100.0
89.96658	0.7
89.99150	0.8
91.04005	2.4
96.96013	1.0
98.95570	0.7
99.08221	0.9
99.78424	0.7
109.02953	0.8
112.98563	5.3
120.99654	1.1
124.07397	0.6
127.11365	1.0
133.02950	4.6
135.04538	1.5
139.11304	3.5
151.04033	1.4
161.02434	20.5
162.02873	1.2
163.04018	1.1
171.10272	9.6
173.04532	1.4
179.03505	1.8
187.07637	0.9
193.94095	0.7
211.13316	1.4
213.87604	0.7
225.29337	0.7
289.10693	0.9
311.22305	1.6
313.07141	4.6
327.21838	1.3
329.23282	18.8
330.23645	1.8
393.03809	0.8
403.19431	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12680	0.9
55.83797	0.9
59.01376	2.3
61.98830	7.8
64.73710	1.0
69.35596	6.8
70.71578	1.1
80.05058	1.6
83.46304	1.2
108.04494	1.4
116.05048	0.9
116.92843	1.8
120.04498	1.5
122.06107	8.6
124.07613	1.3
130.02980	1.9
132.04555	16.7
146.02429	1.4
146.06216	1.3
147.03224	2.9
150.05609	1.9
158.02454	5.5
160.04044	9.1
162.05560	2.6
172.11276	1.1
174.05536	1.4
176.03502	10.1
176.07103	2.7
183.09212	1.7
184.07736	1.5
185.07158	1.2
190.05107	16.4
192.06569	1.1
196.11407	1.2
198.04335	1.3
199.08691	1.1
204.02959	1.8
209.07146	2.5
210.05573	1.2
211.06516	1.4
211.12427	5.4
212.05908	4.0
212.10805	4.2
213.06549	1.7
215.11841	3.4
223.08751	4.3
224.07350	2.0
224.09468	14.2
224.86499	1.0
225.06322	1.2
225.07976	2.9
225.09918	1.4
226.07376	4.7
227.08243	6.7
228.08769	1.0
231.85335	0.9
234.04044	1.2
237.10336	1.0
238.08885	1.7
239.08188	2.6
239.11879	27.8
240.05336	1.5
240.08629	1.6
240.10158	6.4
240.12450	1.7
241.09729	10.2
250.07394	2.2
252.05396	1.4
253.06168	20.8
254.03302	1.2
254.06714	3.6
255.07689	2.1
255.11426	6.9
256.08356	1.4
265.09818	3.2
266.08151	1.3
267.07703	5.7
268.08502	11.0
281.09351	8.3
283.10867	67.3
284.11130	4.4
309.08786	19.4
310.09125	2.0
315.13559	1.9
327.09836	69.5
328.10138	5.8
341.11285	3.1
353.07797	4.0
359.12537	2.6
371.08798	100.0
372.09155	10.6
385.09763	1.1
403.11414	51.0
403.22867	1.5
404.11612	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	403.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	4.4
61.98831	15.2
62.23268	1.5
69.18349	9.2
69.18769	5.3
73.02932	3.1
73.31581	1.7
95.03695	1.4
108.04559	1.9
122.06115	9.0
130.02940	3.2
132.04553	21.8
136.04037	1.7
147.03253	4.7
150.05606	3.0
158.02472	11.1
160.04010	11.1
161.04800	2.1
162.05574	5.0
171.10208	2.0
173.04590	1.5
174.05582	3.4
176.03494	14.0
176.07153	3.4
184.07756	2.0
190.05080	25.5
191.05768	3.4
196.11386	3.1
198.04289	2.7
201.11197	2.1
204.03081	1.6
209.07231	2.1
211.12357	7.5
212.05911	3.1
212.10721	2.7
213.06677	2.2
215.11870	6.6
220.02533	2.6
223.08810	3.9
224.07410	3.0
224.09508	15.3
225.06404	1.8
226.07251	2.3
227.08286	7.1
232.65149	1.9
233.81345	1.5
234.04128	4.3
238.08868	1.9
239.04662	2.0
239.08246	3.4
239.11887	36.3
240.10478	8.2
240.12276	2.7
241.09752	10.2
252.05296	2.6
253.06181	31.1
254.06549	3.7
255.07689	5.9
255.11365	9.1
256.08371	2.2
265.09830	3.5
267.07715	10.0
268.08505	14.3
281.09204	8.0
283.10861	82.2
284.11182	6.7
309.08801	19.8
315.13428	1.9
327.09827	100.0
328.10141	10.0
341.11371	4.9
353.07571	2.9
359.12460	5.5
371.08804	82.7
372.09167	10.3
372.55219	1.6
403.11420	72.4
403.23352	3.3
404.11447	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	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03472	0.8
58.00598	0.8
59.01376	27.2
60.01683	0.9
61.98829	83.6
70.83302	1.3
70.83639	1.3
71.01375	15.7
72.99301	2.8
73.02950	1.3
81.23722	0.7
83.01388	2.7
85.02946	3.1
85.03424	0.6
87.00881	1.2
89.02450	14.0
95.01366	4.0
96.96017	1.3
101.02451	12.0
109.02946	1.4
111.00865	3.6
113.02448	5.5
119.03497	7.1
121.02988	2.1
123.00883	21.5
124.01649	2.5
127.00349	3.3
136.98817	3.0
137.02437	3.0
138.03233	12.1
139.00363	8.9
139.03999	7.3
148.05212	1.2
149.02434	3.3
149.06042	0.7
149.89149	0.7
152.04788	2.5
153.01842	1.0
153.05556	2.9
154.02704	1.5
161.02443	1.0
161.04541	1.2
164.04782	1.1
165.01932	10.5
166.02544	0.8
177.05621	0.6
179.03502	2.6
180.04263	6.7
181.05032	0.9
193.01404	21.9
194.01755	0.8
195.06621	2.5
207.02985	2.4
208.03752	37.8
209.04138	2.0
217.96985	0.7
223.06099	100.0
224.06430	5.2
241.07141	1.7
251.05615	1.4
343.10736	2.5
371.09769	2.2
403.12302	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.1
57.03472	0.8
58.00598	0.8
59.01376	27.2
60.01683	0.9
61.98829	83.6
70.83302	1.3
70.83639	1.3
71.01375	15.7
72.99301	2.8
73.02950	1.3
81.23722	0.7
83.01388	2.7
85.02946	3.1
85.03424	0.6
87.00881	1.2
89.02450	14.0
95.01366	4.0
96.96017	1.3
101.02451	12.0
109.02946	1.4
111.00865	3.6
113.02448	5.5
119.03497	7.1
121.02988	2.1
123.00883	21.5
124.01649	2.5
127.00349	3.3
136.98817	3.0
137.02437	3.0
138.03233	12.1
139.00363	8.9
139.03999	7.3
148.05212	1.2
149.02434	3.3
149.06042	0.7
149.89149	0.7
152.04788	2.5
153.01842	1.0
153.05556	2.9
154.02704	1.5
161.02443	1.0
161.04541	1.2
164.04782	1.1
165.01932	10.5
166.02544	0.8
177.05621	0.6
179.03502	2.6
180.04263	6.7
181.05032	0.9
193.01404	21.9
194.01755	0.8
195.06621	2.5
207.02985	2.4
208.03752	37.8
209.04138	2.0
217.96985	0.7
223.06099	100.0
224.06430	5.2
241.07141	1.7
251.05615	1.4
343.10736	2.5
371.09769	2.2
403.12302	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1607
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
57.03437	3.7
57.15828	1.5
59.01377	100.0
61.98829	77.9
69.45390	8.4
70.40844	1.6
71.01381	7.8
72.99284	2.3
73.02942	6.1
79.39172	1.6
85.02943	5.4
86.05140	1.4
87.00870	5.9
89.02445	5.5
95.01323	1.6
96.95999	1.9
97.02953	2.8
97.06530	1.5
99.04510	4.2
101.02437	5.8
106.56681	1.9
113.02445	4.9
118.21936	1.5
119.03491	1.7
119.08691	3.8
120.95232	1.6
132.04530	2.4
135.08066	1.7
137.09711	6.0
159.11798	4.7
160.04022	4.5
161.09679	5.7
163.07631	3.0
179.10767	7.8
181.08687	14.8
197.09988	2.9
197.11818	47.8
198.12231	3.4
221.11720	2.1
223.09761	12.3
241.10800	90.7
242.11099	5.2
283.11847	34.7
284.12030	2.1
301.11981	1.7
313.12955	8.8
315.13525	2.4
327.09845	5.3
343.13959	62.3
344.14169	4.3
359.12546	2.3
371.09061	2.5
385.89066	1.6
403.11288	8.9
403.16098	16.0
403.23410	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	403.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.3
59.01378	100.0
60.01705	1.7
61.98829	79.8
69.23780	3.1
69.24183	11.7
71.01383	14.8
72.99303	2.0
73.02935	5.8
83.01368	2.5
83.05015	2.8
85.02956	5.7
87.00887	7.2
87.04538	2.0
89.02437	9.1
93.03413	1.8
97.02943	1.7
99.04517	2.7
101.02476	8.5
104.47733	1.7
110.24482	1.6
113.02428	6.5
119.03460	2.4
119.08617	2.3
120.99641	2.0
121.06573	1.7
123.04576	2.0
127.43396	1.7
132.04550	3.1
135.04524	4.4
135.08148	3.3
135.11856	1.7
137.09708	7.0
151.11259	2.0
159.11670	1.9
160.04062	7.3
161.04599	2.0
161.09671	4.7
163.07683	3.7
167.10768	1.6
169.12349	1.9
170.57942	1.4
173.04520	5.0
179.05582	2.5
179.10818	8.7
181.08673	15.4
186.78038	1.5
197.11835	47.3
198.12137	1.9
205.08577	2.3
221.11882	2.9
223.09770	10.3
241.10806	82.4
242.11017	4.9
283.11868	28.0
284.12109	2.2
309.08698	1.8
313.12946	9.3
315.13202	2.2
327.09964	9.5
343.14035	54.0
344.14185	4.5
359.12466	2.2
371.08640	4.5
403.11179	6.7
403.16061	15.5
403.19955	3.8
403.23996	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.197
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
50.42282	0.3
55.01891	1.8
56.66574	0.4
57.03450	2.2
58.00582	1.6
59.01378	55.5
60.01732	0.6
60.80523	0.4
61.98828	32.3
67.01871	0.3
68.99821	0.5
69.03458	1.2
71.01379	24.3
71.05014	0.7
71.52410	0.3
71.52804	0.3
72.01733	0.4
72.99310	2.0
73.02944	9.9
75.00863	0.4
81.03475	0.3
83.01384	4.5
84.02139	0.4
84.21548	0.3
84.89748	0.3
85.02947	10.0
86.00101	0.9
87.00874	3.8
89.02431	6.8
89.02945	0.6
91.77026	0.3
93.03474	0.6
95.01404	1.6
96.96010	0.7
97.02941	1.2
97.06578	0.7
99.00858	2.3
101.02436	15.5
105.03498	0.4
109.06563	0.7
111.00879	0.5
111.04567	0.4
113.02445	7.0
119.03503	2.3
119.05003	0.5
123.04463	0.4
123.08144	0.9
124.01621	0.5
125.02438	1.6
125.09708	0.7
129.01918	0.4
131.03453	0.4
133.02956	2.7
135.04510	1.1
137.02441	0.5
139.07674	0.5
141.09198	0.5
143.03433	0.8
150.92297	0.4
153.09183	1.0
153.12910	0.4
161.02473	0.4
161.04501	0.6
167.10695	0.5
167.14345	0.4
171.10222	1.3
173.04517	1.2
177.01913	1.2
179.03500	0.5
181.12360	4.8
182.12605	0.5
199.13367	6.4
201.11304	4.2
209.11858	0.5
213.14903	1.2
231.12378	2.8
241.14427	0.6
248.04523	0.3
253.14189	0.4
289.17929	1.0
306.07419	3.1
307.19110	0.7
317.19556	0.9
323.22058	0.5
325.20020	0.8
343.17587	16.6
344.17740	1.4
359.18842	0.4
361.18658	35.8
362.18988	3.4
385.22223	2.1
396.43701	0.3
403.19528	100.0
404.19913	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	403.1971
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01865	4.4
57.03450	12.0
58.00578	3.2
59.01378	100.0
61.98829	75.5
68.74197	1.2
69.03417	1.4
70.11883	3.6
71.01381	80.7
71.04986	1.4
72.99323	5.5
73.02946	15.5
80.91691	1.3
83.01386	7.1
83.05013	1.1
85.02950	23.3
87.00863	7.1
88.91821	1.0
89.02444	68.7
90.48186	1.1
95.01366	4.8
95.05028	2.4
96.96019	1.6
97.02933	2.1
97.06586	1.5
99.00867	4.2
99.04498	5.2
101.02438	55.9
102.05598	8.1
105.03460	1.7
107.04999	1.0
111.00880	1.6
113.02446	34.0
119.03500	33.4
125.02434	2.2
125.06071	4.2
129.01932	1.2
131.03484	2.8
135.04488	1.2
141.01758	1.3
143.03427	5.0
147.08147	1.4
149.02412	1.2
149.04550	2.0
151.07646	1.1
159.02953	3.5
161.04549	19.7
163.11266	2.4
165.09125	2.8
175.11217	2.0
179.05606	10.6
179.14392	4.1
181.05026	2.5
187.11302	6.1
190.09995	2.0
204.11523	1.4
205.12325	20.6
206.12627	1.2
223.13368	5.4
233.11777	3.7
246.83073	1.1
259.13092	1.3
343.11304	1.5
359.20706	10.2
385.18643	5.1
403.11563	2.2
403.19669	46.7
404.20013	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	403.1972
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
55.01870	1.2
56.14906	0.8
57.03442	10.3
58.00595	3.3
59.01377	100.0
60.01698	1.7
61.98827	53.0
68.29452	0.9
69.03429	0.9
70.88946	1.6
71.01379	64.9
72.99297	4.3
73.02941	8.1
81.03461	3.6
83.01391	5.6
85.02950	17.3
87.00885	8.4
89.02442	75.3
90.02792	1.5
90.67899	1.0
95.01392	3.9
97.02992	0.9
97.06579	2.1
99.00839	2.0
99.04504	2.7
101.02438	43.1
102.02784	0.9
102.05598	8.4
107.05064	1.2
109.03022	1.3
109.06643	1.0
113.02445	25.8
119.03496	33.6
119.04350	1.9
125.02480	2.1
125.06088	7.0
129.01848	1.0
131.03526	4.1
137.06161	0.8
143.03455	6.9
149.04553	2.9
155.93619	0.8
159.03003	1.7
161.04568	10.4
161.09778	1.1
163.11317	2.0
165.09203	3.0
170.30969	0.9
179.05603	13.0
187.11328	8.2
188.11601	0.9
190.10033	2.1
204.11615	1.7
205.12329	28.6
206.12711	2.1
209.11636	1.0
223.13354	3.7
233.11806	6.7
241.10913	1.7
268.08487	1.3
277.14493	4.6
283.10898	1.5
385.18701	5.8
403.11389	1.1
403.19669	4.2
404.19507	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.7
61.98831	100.0
67.51676	12.5
69.27848	95.8
74.86337	12.0
78.95904	78.3
110.80560	9.9
132.17888	10.9
150.04237	11.1
158.34441	11.3
192.07066	10.9
209.56577	11.7
237.22888	10.8
241.43797	10.6
285.41141	11.2
403.24774	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	37.9
61.98822	100.0
71.52583	21.1
71.52973	18.1
78.95922	98.8
87.00868	28.4
87.83419	17.5
101.57068	18.9
108.30351	17.5
113.28990	18.8
117.95147	16.6
159.86798	19.0
258.36841	23.6
260.96817	21.5
262.97342	18.8
290.05756	17.5
428.72043	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	403.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69646	0.4
59.01377	100.0
60.01714	0.7
61.98832	7.0
63.06927	0.4
66.02323	0.4
67.34467	0.5
68.33476	0.4
70.52466	1.5
83.44898	0.5
119.96179	0.4
143.13763	0.4
260.60229	0.5
306.11157	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58894	0.4
57.14753	0.5
59.01377	3.8
61.98829	89.1
62.60811	0.5
69.78725	1.6
69.79128	0.7
71.01374	0.5
72.03918	0.4
72.99314	0.8
81.95335	0.9
84.63923	0.4
88.98864	0.6
93.03484	0.9
96.96017	0.5
105.03462	0.6
109.02953	1.4
120.99677	0.7
121.02959	0.6
122.03757	0.6
123.04527	8.1
133.02957	12.0
134.03351	0.8
135.04520	3.5
137.02432	6.6
138.02757	0.6
147.04506	0.6
149.02460	1.1
150.03224	7.1
151.04008	19.2
159.04521	1.3
161.02437	44.5
162.02786	1.8
177.01906	2.3
179.03490	100.0
180.03822	5.0
197.04477	0.5
203.03412	0.6
205.01411	5.5
219.02905	3.0
235.07759	0.5
251.07077	0.5
275.72400	0.5
279.06622	1.9
293.94495	0.6
295.06186	0.6
296.06683	0.6
297.07571	3.7
341.06647	16.2
342.07071	1.4
376.39359	0.5
386.19431	0.9
403.20087	13.3
404.20193	27.1
405.20050	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	404.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.42640	1.5
81.93377	0.2
84.89953	0.2
98.19957	0.4
112.37582	0.2
184.54150	0.2
184.85446	0.2
272.51654	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81386	0.2
60.62409	0.2
61.98830	100.0
62.98532	0.3
67.23021	0.2
70.97489	0.4
78.65147	0.2
86.88947	0.2
105.87338	0.2
152.76440	0.2
245.12762	0.2
277.14810	0.2
387.54535	0.3
411.48563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.49928	0.4
96.44721	0.3
232.72998	0.3
247.50063	0.3
397.13528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98829	100.0
62.98583	0.3
71.00612	0.3
71.01373	0.5
72.99290	0.4
81.40482	0.3
82.62080	0.4
87.00941	0.3
92.05425	0.4
93.71141	0.3
98.19937	0.8
104.45570	0.3
125.90392	0.3
133.03035	0.4
135.04576	0.6
142.44061	0.3
153.52368	0.4
158.91248	0.4
201.30705	0.4
341.19553	0.8
361.17780	0.5
421.27594	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.4
60.46312	0.5
61.55392	0.5
61.98829	100.0
69.86959	2.8
73.45237	0.5
78.95919	0.8
103.92004	0.6
108.38571	0.6
127.85997	0.6
150.93236	0.6
186.51242	0.5
211.13405	2.0
263.24771	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
60.99307	14.2
61.98828	11.4
62.75182	0.6
64.48589	0.8
71.01405	0.8
71.20853	0.9
82.27584	0.7
88.98802	100.0
89.02463	1.1
96.20835	0.7
114.15497	0.8
123.04522	1.6
123.97062	0.7
130.08717	0.8
145.38722	0.7
148.91040	0.8
153.05568	2.9
187.88391	0.7
212.93991	1.0
214.17570	0.6
215.09062	0.8
242.95210	2.4
332.27835	0.9
405.00449	2.6
418.68784	0.6
428.94058	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79384	0.5
55.01851	0.5
57.03444	1.3
59.01378	37.4
61.98807	1.0
63.29351	0.5
70.72150	1.4
71.01371	1.3
73.02935	2.5
73.40335	0.4
76.02459	0.5
81.03461	0.9
85.02954	0.5
87.04514	0.9
98.20473	0.6
101.02434	1.9
113.02434	0.6
123.04523	0.8
123.08154	0.7
135.08081	0.5
139.11290	17.5
140.11565	1.0
153.09206	0.8
161.04648	0.5
162.05585	0.7
165.09235	1.0
167.03363	0.5
173.11855	0.6
181.12329	12.2
183.10255	23.8
184.10571	1.1
193.91519	0.6
199.13397	7.7
201.11331	1.1
202.05872	0.4
225.11317	9.8
225.13318	0.8
226.11632	0.7
231.12337	1.3
243.12355	100.0
244.12724	7.5
257.14038	0.9
285.13406	17.9
286.13815	1.6
310.92139	0.5
315.14560	2.5
345.15530	18.4
346.15891	1.8
387.24045	1.1
390.04880	0.5
405.12915	0.7
405.17657	10.1
405.24951	4.0
406.18042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01375	47.6
59.13760	0.5
60.64399	0.6
61.98828	1.3
70.72243	1.3
71.01366	2.7
72.99306	0.8
73.02941	3.4
77.74065	0.6
85.02945	1.0
87.04536	1.0
98.20379	1.0
99.04526	1.6
101.02461	2.7
123.04530	0.7
129.05525	0.6
137.09756	0.7
137.76866	0.6
139.11287	23.1
140.11597	1.1
148.64069	0.5
153.09286	0.8
161.02501	0.6
162.05533	0.7
163.11270	1.1
165.09221	0.8
169.12395	1.1
181.12338	10.7
183.10243	28.8
184.10648	1.0
199.13371	8.3
207.10291	0.8
211.05986	0.8
225.11293	11.9
226.25903	0.6
231.12328	1.6
239.12915	0.7
243.12347	100.0
244.12689	6.6
253.08615	0.7
257.13983	1.7
271.69128	0.7
281.08270	0.7
285.13409	29.8
286.13660	2.0
305.16278	0.6
315.14572	5.0
318.95554	0.6
325.07266	1.1
345.15509	36.2
346.15796	2.9
387.23502	0.6
405.13297	0.9
405.17609	15.4
405.24701	3.1
406.18094	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03772	1.7
59.01377	81.7
61.98817	3.1
64.99758	0.9
69.89465	3.8
71.01011	1.3
71.01382	15.3
73.02942	7.8
83.01378	4.4
83.76230	0.8
85.02946	8.0
87.04501	1.5
89.02454	1.8
98.19995	1.7
99.00853	1.9
99.04517	83.7
100.04839	2.3
101.02438	38.5
102.02796	1.1
109.06602	0.9
113.02457	6.8
125.02443	21.4
139.11267	2.7
143.03485	4.0
153.09161	2.0
159.02960	1.9
161.04520	7.1
171.10249	1.8
181.12285	2.4
183.10196	3.1
201.11305	4.3
203.12920	1.6
225.11284	1.2
231.12277	2.2
243.12372	12.7
244.08749	1.0
261.13400	35.0
262.13730	2.5
303.14429	4.6
329.10434	1.6
343.17645	3.1
373.09338	1.8
384.88953	1.0
387.23804	3.9
405.12042	2.2
405.17508	12.3
405.24802	12.2
406.18295	1.2
406.25214	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	405.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17446	0.8
57.03447	100.0
58.00585	1.3
58.03773	1.5
59.01378	87.5
61.98829	41.8
71.01014	1.7
71.01380	24.5
71.52193	1.1
72.99311	4.6
73.02943	13.0
75.00867	1.5
81.03451	1.9
83.01398	4.3
85.02950	3.4
87.00879	2.3
88.98800	1.2
89.02444	21.0
93.03457	1.5
95.01368	1.6
95.05032	0.8
97.06561	1.4
99.04516	81.3
100.04842	2.0
100.07040	0.8
101.02439	37.9
105.01907	1.8
113.02455	9.3
113.06027	0.9
117.03431	1.0
119.03500	7.5
119.04996	1.1
123.04529	6.0
125.02454	23.5
125.09715	0.8
128.06393	0.9
131.03445	1.0
133.02939	2.4
135.04514	4.3
137.02472	1.4
139.11276	3.0
143.03500	3.0
145.02911	2.4
146.03285	1.1
149.04518	1.9
153.05547	1.3
155.03499	1.3
161.02438	10.9
161.04475	4.8
163.04059	1.3
171.10136	1.1
173.04520	1.6
174.03249	0.9
179.03552	0.9
179.05602	5.3
181.04958	2.4
181.12360	1.3
183.10220	3.5
197.04478	1.1
198.06778	1.1
199.13560	0.9
201.11290	6.4
202.08664	1.0
204.10335	0.9
209.11844	2.5
221.06520	1.3
225.11281	1.5
226.06294	1.9
242.09077	1.0
243.12328	8.8
261.13379	3.6
285.13498	2.9
343.08417	1.6
345.15491	3.6
345.22748	2.2
357.68054	0.9
405.11938	1.7
405.17267	3.7
405.25232	8.0
406.25128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.00588	1.6
58.03783	1.2
59.01377	92.5
59.83841	1.1
60.01722	1.1
61.98826	37.9
70.00659	4.0
71.01379	23.3
72.99307	5.4
73.02946	12.5
75.00864	1.7
81.03463	1.9
83.01384	4.9
85.02937	4.2
87.00872	2.3
88.80719	0.9
88.98769	1.4
89.02441	20.2
93.03432	1.2
95.01388	1.1
96.96024	1.2
99.04516	78.9
100.04832	1.9
101.02438	38.1
105.01924	2.8
108.02225	1.0
113.02464	8.4
113.06121	1.3
119.03507	7.0
119.05000	1.3
123.04496	6.1
125.02441	23.5
131.03514	2.1
133.02948	2.9
135.04510	3.2
137.02438	1.7
139.11307	4.2
143.03499	5.1
143.10750	1.1
145.02943	3.3
149.04512	2.3
161.02440	8.9
161.04503	5.8
163.03993	2.2
173.04538	1.2
177.02052	0.9
179.03468	2.1
179.05605	6.1
181.05051	1.4
183.10313	3.0
187.07649	1.0
201.11319	5.2
209.11905	1.6
213.51935	1.0
217.28021	1.0
225.11354	1.4
231.10205	1.0
241.08655	1.4
243.12340	9.9
261.13391	4.1
285.13416	2.5
303.14688	1.6
315.14221	1.0
315.21954	1.7
343.08081	2.0
345.15475	3.8
345.22992	1.3
353.98935	1.0
354.83105	0.9
405.12057	1.5
405.17285	2.9
405.24988	8.6
406.25012	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.213
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01873	2.3
57.03447	6.6
58.00584	3.5
59.01378	100.0
61.98827	14.0
62.48583	0.7
68.51251	0.7
69.37936	0.7
71.01379	67.7
71.05018	8.7
71.50349	1.0
72.01742	1.6
72.99310	4.4
73.02948	5.2
74.02461	0.8
83.01377	3.9
83.05041	1.4
85.02946	15.7
87.00866	5.2
89.02443	81.7
90.02782	1.7
94.04265	0.7
95.01369	5.8
95.05009	1.0
96.95977	0.9
97.02946	1.1
97.06584	2.4
99.00889	2.1
99.04513	0.8
101.02437	44.9
102.05608	2.1
103.05943	0.8
104.03534	1.9
109.06612	1.4
111.04559	0.7
111.08152	7.2
111.83646	0.7
113.02446	30.5
119.03497	39.1
123.04518	1.4
123.08177	1.4
125.02460	1.1
125.06073	3.3
128.03543	1.9
131.03474	3.5
134.06152	0.8
135.04601	0.9
135.08177	1.1
141.09230	1.2
143.03500	5.6
143.04636	2.4
149.02534	0.7
149.04570	3.1
149.09711	2.5
151.07629	0.7
151.11349	0.7
161.02420	0.6
161.04565	9.1
163.03975	0.7
163.11331	1.4
167.10762	1.5
177.09291	0.8
179.05597	16.1
181.04982	1.3
181.12346	5.2
189.12869	2.0
192.11583	0.8
207.13878	35.5
208.14233	2.8
225.14946	21.2
226.15274	1.4
243.15924	7.6
272.08929	0.8
306.07632	0.8
323.81741	0.6
357.13138	1.5
387.20248	17.6
388.20810	1.0
405.21280	80.3
406.21521	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	405.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35221	10.0
59.01372	15.2
61.98827	100.0
69.99605	14.4
70.00002	19.0
78.95895	28.3
127.08440	8.5
152.99593	42.5
195.26256	8.7
202.15929	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	405.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67268	7.3
59.01366	12.2
61.98829	100.0
62.08168	7.7
65.78324	6.5
69.38779	64.3
69.66026	8.3
75.12856	7.5
78.95902	18.2
94.18938	7.9
98.19906	16.1
99.27023	8.6
141.89159	7.3
152.99559	22.5
222.89177	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	406.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52378	0.4
57.03435	1.6
59.01376	3.7
60.43767	0.4
60.77686	0.4
61.01345	0.4
61.98829	39.2
65.92947	0.4
71.01367	2.1
71.52088	0.8
72.99315	3.7
73.02969	0.5
87.00856	0.6
87.58304	0.4
88.22491	0.4
89.02435	1.0
99.04501	0.9
101.02428	1.0
113.02452	0.5
119.03545	0.6
119.05029	6.7
125.02419	0.4
132.02089	0.4
133.02953	15.0
134.03654	0.7
135.04515	12.0
145.02965	2.2
153.13133	0.4
155.63512	0.4
161.02437	100.0
162.02785	4.7
163.04013	10.4
173.04553	0.6
175.07634	0.7
179.03476	3.5
181.05060	29.1
182.05324	2.0
187.07658	1.1
197.04463	0.9
209.11745	0.9
229.08693	0.4
238.35535	0.4
246.11472	0.9
263.15204	0.5
277.29279	0.4
343.08179	18.9
344.08643	1.9
345.22729	1.1
363.57733	0.4
389.16037	0.7
389.25397	0.5
405.20599	0.8
405.60266	0.5
406.21536	1.2
407.11499	1.3
407.21552	0.6
407.26517	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	406.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98829	100.0
69.56199	2.2
74.35222	0.3
74.38577	0.3
78.95914	0.8
96.96961	0.8
99.92592	0.9
108.37283	0.3
115.92085	0.5
116.92867	0.7
134.19312	0.3
147.70337	0.3
184.99237	0.3
234.44913	0.4
234.87309	0.3
306.56931	0.3
307.19229	0.4
312.19510	0.4
331.18997	0.3
338.10690	0.5
371.09131	0.4
406.25525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.0
61.98829	100.0
69.40532	0.7
71.51977	1.0
72.99313	2.1
78.91907	1.1
78.95925	1.6
89.13940	0.7
98.73226	0.7
112.14936	0.6
121.35644	0.7
170.62392	0.8
175.07657	0.8
201.63753	0.7
218.17290	0.8
224.94415	0.7
249.11128	0.7
283.41980	0.8
290.43872	0.7
305.41617	0.6
334.44986	0.7
389.16208	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	407.0995
Annotation	Fortuneanoside L
Peak:m/z	Relative Intensity
57.03432	0.4
59.01371	1.5
61.01015	0.6
61.98817	1.5
62.44598	0.4
67.01893	0.8
67.18188	0.4
69.03449	0.6
70.45811	1.2
71.01372	2.4
72.99294	1.0
73.02954	0.6
75.00871	7.8
75.23116	0.4
79.69436	0.3
85.02946	1.4
86.12888	0.4
87.00860	0.5
93.03466	4.1
99.00880	0.7
99.04540	1.5
101.02432	0.8
103.00371	6.2
108.35425	0.4
109.02956	0.5
111.00877	13.4
111.04523	1.0
112.98825	1.8
113.02457	0.7
115.00375	1.4
128.98242	0.4
137.02426	1.1
142.99835	0.9
143.03490	0.6
173.04518	2.6
174.35698	0.4
191.05672	2.2
199.04167	5.2
216.05716	0.5
217.05226	16.2
218.05710	0.5
222.52884	0.4
232.05133	0.6
233.04750	1.3
259.06351	0.6
268.72635	0.4
287.05936	0.8
289.03717	9.0
306.03860	0.5
317.06873	1.0
345.06271	0.6
375.07501	1.0
407.10089	100.0
408.10538	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	407.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
57.03447	98.8
58.03783	1.0
59.01378	100.0
61.12576	1.0
61.98827	3.7
69.89207	3.2
71.01012	1.7
71.01380	21.1
71.05016	3.7
73.02950	7.7
73.06564	1.0
83.01385	3.9
83.05022	2.4
85.02940	7.7
87.00845	1.2
89.02448	3.9
95.01373	1.9
98.20598	1.2
99.00896	2.3
99.04517	98.0
100.04868	1.8
101.02441	35.6
101.06091	9.1
113.02454	10.5
123.04478	1.8
125.02441	31.8
128.48145	1.0
143.03499	4.2
159.02991	2.3
161.04538	12.4
179.05612	1.7
193.52457	1.1
263.11328	16.9
264.11716	1.2
305.12381	8.2
345.15604	2.8
407.15485	9.6
423.05499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.2
57.03444	36.1
58.00580	0.8
58.03761	0.7
59.01376	100.0
59.82575	0.9
60.01711	0.8
61.98829	6.6
67.68565	0.7
69.27722	1.9
69.28130	4.2
71.01377	22.4
71.05019	0.8
72.99310	1.7
73.02939	7.2
81.03471	1.0
83.01397	3.1
83.10899	0.7
85.02945	9.1
87.00912	0.9
89.02452	8.4
93.03431	0.7
95.01382	0.9
97.02967	0.9
98.76694	0.8
99.00891	2.3
99.04514	32.5
100.04881	1.1
101.02439	25.1
101.06097	3.3
113.02437	9.5
119.03477	3.8
123.04528	1.3
125.02446	12.0
135.98294	0.8
138.05675	1.1
143.03535	2.6
159.03009	1.6
161.02489	0.9
161.04543	16.6
161.05887	1.3
173.04688	0.9
175.02553	0.9
179.05582	4.0
185.11829	1.1
190.41219	0.8
227.03908	0.7
233.55795	1.0
263.11328	3.8
305.12271	3.6
327.01825	0.9
345.15408	0.9
347.17075	41.6
348.17438	4.3
407.15247	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	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88484	0.6
53.19420	0.7
53.23005	0.7
55.01869	1.4
57.03448	6.8
57.20909	0.6
59.01376	100.0
60.01700	0.8
61.98828	6.5
71.01379	24.7
71.51572	1.0
72.99305	1.6
73.02943	9.5
78.74232	0.6
83.01388	4.1
85.02946	10.4
87.00866	1.4
88.04047	1.2
89.02431	8.2
89.02869	0.8
93.03496	0.9
95.01390	1.3
99.00867	3.3
99.04505	6.6
101.02438	23.9
102.02786	0.8
113.02450	10.9
119.03475	3.5
120.99670	0.7
123.04566	0.9
125.02475	2.8
131.03476	0.9
143.03497	2.2
158.06021	1.1
159.03032	2.4
161.04550	17.1
175.02560	2.7
179.05713	1.6
185.11894	2.4
201.81889	0.7
234.83716	0.8
263.11331	2.2
264.42868	0.8
269.04932	0.7
285.12305	0.7
300.15799	1.7
344.18466	1.3
347.17090	79.2
348.17404	8.1
407.14917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32561	0.8
57.03448	100.0
58.03767	1.3
59.01379	79.0
61.98840	5.1
70.47192	2.6
71.01379	13.4
72.99303	3.7
73.02937	5.5
77.08772	0.8
83.01366	3.0
85.02950	9.4
89.02438	1.5
95.01378	1.5
99.00880	2.1
99.04517	83.0
100.04856	2.5
101.02447	35.7
113.02431	6.3
119.05038	1.6
125.02451	21.8
133.02911	2.7
135.04501	3.0
143.03485	2.9
159.02927	1.8
161.02448	13.3
161.04510	6.7
162.02756	5.5
163.04037	1.0
179.03452	1.9
181.04971	1.3
182.05313	1.9
187.07613	1.5
197.04506	2.4
218.66119	1.1
231.46385	0.9
263.14987	33.7
264.15436	1.2
293.10107	1.4
305.15945	3.5
330.52515	0.9
344.08475	2.0
345.19125	1.9
407.19299	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	407.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.7
57.03448	100.0
57.35381	1.1
59.01379	87.7
61.98832	20.5
63.38924	1.1
71.01379	17.9
71.52337	1.7
72.99308	27.9
73.02943	6.1
76.29743	1.2
78.95892	6.2
79.54980	1.2
81.03447	1.3
83.01395	4.5
83.05064	1.2
85.02950	9.6
87.00887	4.4
89.02467	6.3
96.96962	1.2
97.06592	2.4
99.00874	3.3
99.04518	82.4
100.04870	1.8
101.02438	38.0
101.03108	2.2
101.20165	1.1
109.02966	2.1
113.02472	6.5
119.04992	2.3
121.02931	1.3
123.04478	1.7
125.02445	19.8
131.03503	4.3
133.02963	3.6
134.03766	2.5
135.03558	1.5
135.04495	8.8
135.80473	1.6
143.03471	2.5
145.02989	1.3
149.02419	1.6
149.06021	2.1
150.03215	1.3
151.03984	1.5
158.03706	1.3
159.03044	1.5
159.04480	3.3
161.02451	9.4
161.04547	5.1
161.05870	1.1
163.03987	2.6
163.07721	1.4
167.50276	1.2
173.04558	1.4
173.06029	3.9
174.03227	1.3
175.03992	1.7
175.07620	2.6
179.03485	3.3
181.05025	3.4
187.07664	2.4
189.05495	1.2
190.06355	2.3
191.05486	1.3
193.45059	1.2
197.04504	1.6
201.05597	2.6
201.09261	1.4
203.07169	3.0
209.06071	4.6
209.11797	15.2
215.07169	2.2
217.08665	1.5
218.09464	2.9
227.03445	3.2
227.12862	5.0
229.08772	3.2
230.09184	1.3
231.10208	2.0
237.05502	6.4
247.09743	3.1
253.05191	1.4
263.03552	1.1
263.14990	27.9
264.15344	1.7
265.04941	5.4
275.09259	2.0
281.04541	4.3
291.02969	1.2
293.10263	3.0
299.02090	2.2
301.14642	2.4
305.16031	1.8
309.03970	5.6
310.04501	2.7
315.15961	2.6
321.03928	3.4
322.04300	2.3
323.09061	1.4
327.15906	1.4
339.05145	1.5
363.12317	2.5
386.95233	1.3
389.16068	16.9
390.16315	2.7
407.11298	13.4
407.17227	17.0
408.17368	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	407.1924
Annotation	Daumone 4
Peak:m/z	Relative Intensity
55.01899	1.0
57.03446	14.2
58.00591	2.1
58.03769	1.9
59.01380	62.8
59.03851	1.3
60.01701	1.6
61.01798	1.5
61.98828	4.1
71.01379	25.1
72.01720	0.9
72.99303	2.8
73.02930	3.5
74.17514	0.7
83.01376	2.3
84.02139	0.8
85.02949	5.7
87.00871	2.2
89.02441	22.3
93.03430	1.3
95.01376	1.0
98.20686	1.7
99.04530	7.9
100.04855	2.1
101.01804	1.2
101.02441	20.6
101.04937	1.3
102.02769	0.7
103.02849	1.2
108.73220	0.7
113.02440	7.9
119.03492	7.7
120.64128	0.6
125.02438	2.0
131.03511	0.7
135.04536	1.3
143.03508	0.9
149.04552	2.3
149.05934	0.7
159.03024	0.7
161.02469	0.9
161.04520	1.3
165.12862	1.1
171.10263	25.1
172.10588	1.3
173.04584	1.4
174.05180	0.7
179.05548	2.1
183.13930	9.4
185.11833	6.6
187.07607	1.9
201.11162	1.2
209.11763	4.4
227.12880	61.4
228.13223	4.2
243.12311	1.0
245.13750	2.5
246.14528	0.7
253.09261	2.7
257.08182	1.6
262.13623	1.0
263.13892	2.2
345.40829	0.8
362.24014	0.9
365.18683	1.0
376.57019	0.8
388.95361	0.8
389.17911	2.5
407.19183	100.0
408.19464	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	407.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97845	3.7
57.03439	5.1
59.01373	32.5
61.98816	20.4
71.01369	7.7
72.99303	68.5
73.41324	4.2
80.91681	100.0
80.96488	4.3
83.01388	5.6
85.02942	4.7
87.00881	9.7
87.44281	3.4
95.05027	4.3
96.96022	7.5
99.92590	11.9
109.06575	5.7
111.08127	7.1
115.92075	9.2
123.04521	7.5
123.08172	6.9
125.09724	20.1
127.11304	11.3
133.02960	5.5
135.08105	4.7
137.09676	5.9
137.80267	3.5
141.09224	6.1
146.03781	4.4
153.09270	8.9
161.02435	4.1
162.19492	3.7
164.08252	3.7
171.10277	10.3
173.06071	5.3
174.06911	4.3
175.07614	16.8
186.06923	7.7
187.07553	7.1
191.06987	9.0
193.08444	11.8
195.10309	4.8
197.11752	4.3
201.05542	9.3
201.09502	6.6
201.11292	39.4
203.07147	17.4
207.09953	6.0
209.07938	5.3
211.13351	4.2
213.11270	28.8
215.07074	8.7
217.08636	4.3
218.09438	11.9
219.10007	6.4
223.09515	70.6
229.08519	6.4
230.09476	5.5
235.09525	34.4
247.09758	28.6
248.10399	3.7
249.10954	4.7
260.10172	17.6
278.11310	43.6
281.04547	4.3
287.16205	5.3
289.17990	7.1
292.09454	5.6
307.19229	21.3
309.04025	5.1
325.20209	83.7
326.20435	6.9
329.13739	6.3
329.17303	58.2
330.17609	6.0
347.18402	31.3
365.19196	5.3
389.11609	4.4
389.15970	25.1
407.11539	9.6
407.17151	32.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40017	0.2
59.01381	0.4
61.98828	100.0
62.98555	0.2
67.27712	0.2
71.14866	0.1
71.52046	0.2
75.88268	0.2
77.00446	0.2
78.95917	0.7
126.43655	0.2
133.02888	0.2
152.99593	0.4
161.02431	0.4
188.25388	0.2
193.17574	0.2
193.98506	0.2
235.10179	0.2
408.29153	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89259	0.5
59.01377	0.9
61.98828	100.0
71.51708	0.6
71.52173	0.8
75.36416	0.5
78.95908	1.1
96.96989	0.6
99.92598	0.9
111.31055	0.5
115.92104	1.0
116.92854	1.2
129.22243	0.5
133.02972	3.3
149.02441	0.5
150.03197	1.0
158.16446	0.6
161.02422	10.4
168.16568	0.7
173.89363	0.6
233.51990	0.5
246.98314	0.6
408.12930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39620	0.6
59.01377	1.3
61.98826	100.0
68.99568	3.1
70.64362	1.6
72.59119	0.5
78.95892	0.6
80.43880	0.6
81.65812	0.6
94.27290	0.6
112.98568	4.5
133.02927	4.1
147.70700	0.6
150.03249	1.4
161.02431	12.8
180.04289	0.6
195.34230	0.6
226.25655	0.6
250.34041	0.6
258.16174	0.5
282.54263	0.6
352.96329	0.6
408.13614	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
61.98824	5.5
63.80352	0.2
69.89175	0.8
72.86403	0.2
77.03970	0.3
78.95917	0.5
81.23926	0.2
95.01418	0.2
95.05017	0.2
96.96986	0.4
99.92595	1.0
101.92992	0.2
105.03459	0.5
115.01925	0.3
115.92075	1.5
116.92880	1.6
121.02955	0.7
123.04540	0.3
132.02162	1.3
133.02965	28.7
134.02403	0.3
134.03267	1.2
135.04507	0.4
149.02441	6.0
150.03236	9.8
151.03540	0.4
152.99574	0.5
161.02446	100.0
162.02780	4.7
163.03979	0.4
186.76361	0.2
247.09738	0.7
250.57365	0.2
268.07321	0.6
311.22247	0.5
312.06476	0.5
373.10928	0.6
391.12009	0.5
406.10120	0.2
409.13300	1.6
410.13422	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.9
61.98830	1.6
65.35231	0.3
66.25125	0.3
69.78376	1.4
78.95891	0.3
104.02689	0.3
105.03438	0.4
108.55084	0.3
109.02914	0.5
132.02145	1.5
133.02959	29.2
134.03284	0.9
135.04536	0.8
149.02426	0.7
150.03267	1.6
161.02438	100.0
162.02777	3.9
174.03151	1.4
175.04024	0.6
175.07628	0.8
191.07088	0.4
198.31174	0.3
201.09167	0.9
203.07124	1.1
205.08704	0.5
217.08646	0.4
218.09557	0.5
219.10423	0.3
229.08685	1.2
247.09758	4.4
365.13779	0.6
398.13199	0.3
409.12900	1.3
434.13690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98816	1.0
71.08941	0.5
76.05339	0.2
89.03976	0.2
95.25366	0.2
97.52731	0.2
99.92592	0.2
105.03455	0.3
109.02915	0.4
110.13808	0.2
132.02167	1.5
133.02954	30.7
134.03264	1.2
135.04497	0.7
146.03714	0.7
147.04562	0.2
149.02412	1.6
149.06067	0.5
150.03215	4.2
152.99577	0.2
157.06497	0.2
159.04527	0.3
161.02435	100.0
162.02774	4.9
163.03995	0.2
172.05238	0.3
173.06122	0.4
174.03218	3.1
175.03958	0.8
175.07579	1.1
176.04811	0.2
177.05441	0.4
179.03513	0.2
187.03912	0.2
187.07599	0.5
190.06393	0.4
196.05316	0.2
199.03923	0.2
200.04720	1.3
201.05177	0.2
201.09225	0.2
202.06308	0.2
203.07130	7.2
204.07469	0.4
205.08629	0.7
211.07610	0.7
215.07043	0.4
217.08466	0.2
218.05829	0.7
225.69139	0.2
229.08650	1.9
247.09738	6.0
248.09941	0.4
302.26755	0.2
321.11203	0.7
365.13831	0.7
406.38849	0.2
409.12924	1.1
409.17377	0.2
409.20224	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97664	0.2
59.01376	0.5
61.80435	0.2
61.98821	0.8
69.45656	0.9
69.46058	0.4
70.57856	0.2
71.84980	0.2
75.00860	0.3
77.03989	0.3
78.95906	0.8
80.96503	0.3
84.00764	0.2
89.03951	0.2
93.03460	0.3
95.01394	0.2
96.96970	0.4
99.16787	0.2
99.92577	0.4
105.03419	0.4
115.09014	0.2
115.92067	0.3
116.92860	0.4
121.02931	0.6
126.49273	0.2
132.02173	1.7
133.02953	30.5
134.03287	1.0
135.04500	0.3
149.02432	5.2
150.03223	8.9
152.99582	0.6
161.02431	100.0
162.02763	4.2
163.04015	0.6
186.35750	0.2
220.45816	0.2
224.09851	0.2
247.09711	0.8
267.06256	0.2
268.07346	0.8
275.01367	0.2
309.10049	0.3
309.20599	0.2
311.22171	0.5
383.90421	0.2
409.12927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27735	1.2
59.01359	3.7
61.98830	54.9
63.99282	1.4
71.52837	1.6
78.95884	1.9
96.96964	1.8
99.92584	67.3
100.92595	3.1
100.93359	3.6
115.92075	59.2
116.92856	71.3
117.92831	2.2
132.02148	2.2
133.02965	27.9
144.77551	1.0
149.02448	5.7
150.03242	11.0
161.02437	100.0
162.02768	4.5
167.94017	1.1
214.11526	1.1
278.06247	1.2
291.19562	2.4
293.04910	1.1
294.05554	1.6
301.29471	1.4
309.20630	3.2
322.05042	4.1
341.07666	1.9
373.11130	9.6
374.11029	1.4
387.08948	11.9
388.09384	2.5
391.12149	22.4
392.12473	4.3
401.06708	1.3
405.09937	3.5
409.08334	1.7
409.13205	18.5
410.14514	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.9
57.03448	96.5
58.00595	1.5
58.03793	1.8
59.01377	100.0
61.98829	9.8
67.72033	1.1
70.88817	1.9
70.89137	1.4
71.01382	28.8
72.99311	1.8
73.02949	10.1
76.82729	1.4
83.01374	5.1
84.97142	1.5
85.02947	14.9
87.00883	2.1
88.98818	1.8
89.02460	8.0
93.03478	1.3
95.01366	1.9
96.06832	1.3
99.00871	3.5
99.04516	78.8
100.04840	1.8
100.18734	1.1
101.02441	46.0
101.06066	1.5
102.02783	1.6
102.05655	1.8
113.02441	12.9
119.03456	1.6
121.02907	1.4
125.02435	37.8
128.03546	1.2
135.04547	3.0
143.03482	3.7
159.03012	4.1
161.02470	1.4
161.04559	16.8
173.04532	2.1
179.03510	1.7
247.11813	4.1
265.12912	52.9
266.13187	3.0
287.97287	1.3
307.03986	1.5
307.13965	14.6
318.38934	1.2
347.17023	2.2
349.11557	2.2
349.18372	1.4
409.11649	2.7
409.16721	13.8
410.17700	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	409.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60909	1.3
52.61163	1.5
57.03449	82.0
58.03783	1.6
58.67620	1.3
59.01379	100.0
61.98812	5.4
64.84820	1.1
69.04159	1.4
70.42168	4.5
71.01084	1.7
71.01390	21.1
72.99300	5.2
73.02926	7.0
75.00855	1.5
81.03458	1.5
83.01382	4.5
85.02959	12.0
87.00880	3.3
89.02439	10.9
93.03434	1.4
95.01322	1.4
98.20583	1.5
99.00851	3.1
99.04523	80.3
100.04883	1.8
101.02445	36.4
101.25597	1.3
102.02852	1.4
102.05608	13.4
109.06616	1.7
111.04500	2.0
113.02467	10.0
116.05087	3.1
119.03505	4.0
123.04518	2.2
125.02453	25.5
128.03490	4.1
129.01933	1.8
133.02963	2.0
135.04526	7.1
143.03430	4.6
159.03032	1.7
161.02419	1.4
161.04543	12.6
167.03578	2.1
173.04559	4.0
179.03474	3.1
179.05551	1.5
191.05580	1.9
235.02185	1.6
257.70654	1.4
265.12952	23.8
281.13995	2.0
302.38193	1.5
307.13989	7.2
347.16760	1.7
349.18549	4.8
384.85779	1.5
409.16837	8.1
410.18207	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	409.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42299	1.1
55.01865	2.0
57.03448	98.7
58.00594	2.2
58.03782	1.0
59.01379	100.0
61.38125	1.1
61.98826	9.4
68.72211	1.1
69.03432	1.4
69.91964	1.8
69.92343	3.5
71.01381	31.6
72.99313	2.4
73.02941	10.3
81.03458	1.6
83.01374	4.8
85.02943	12.6
86.78130	1.3
87.00849	2.6
89.02448	6.5
93.03418	1.2
95.01376	2.2
99.00874	4.5
99.04517	74.0
100.04855	1.9
100.80275	1.1
101.02444	44.7
101.06050	1.4
102.02767	2.1
102.05618	2.1
111.00913	1.2
113.02460	12.1
116.90294	1.2
119.03514	1.8
123.04570	1.3
125.02446	35.4
128.03499	2.4
135.04506	3.8
143.03473	4.1
144.21558	1.0
145.07660	2.5
146.04556	1.5
159.02933	2.5
161.02451	2.4
161.04558	15.7
173.04585	2.7
179.03462	1.7
185.89438	1.1
191.05588	1.7
209.11812	1.5
242.37271	1.0
247.11848	3.7
265.12897	57.2
266.13177	2.9
307.14005	12.6
347.17007	2.5
349.11523	4.2
349.18536	2.0
409.16919	14.1
410.17725	3.3
414.82123	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	409.2358
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
57.82394	0.2
61.23285	0.2
61.87402	0.2
62.96411	0.3
68.40466	0.2
78.95898	66.3
96.82000	0.2
96.96959	4.9
100.59139	0.2
126.47186	0.2
150.97989	1.8
152.99574	100.0
153.99901	1.2
163.11256	0.8
164.72072	0.2
171.00616	2.3
174.92886	0.2
233.15331	0.4
255.23253	2.1
409.23495	19.4
410.23932	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	410.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83183	0.4
55.09631	0.4
56.21851	0.5
59.01382	0.8
61.98830	100.0
71.52217	0.5
72.13245	0.4
76.19424	0.5
80.08848	0.5
81.01609	0.4
85.02966	0.5
97.03683	0.4
111.03475	0.5
111.08149	0.6
125.09679	0.6
128.12787	0.5
133.02940	1.1
134.03316	0.7
135.04527	0.6
149.02483	0.5
161.02429	3.7
162.02782	1.3
171.10335	0.8
193.68594	0.5
201.11349	1.9
213.11328	0.9
244.04709	0.5
251.40804	0.5
260.10464	0.7
278.11453	1.4
289.18204	0.8
307.19208	1.6
325.20245	5.0
326.20474	0.7
410.17923	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	410.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.1
57.59651	0.5
59.01378	4.3
61.98837	3.9
66.66993	0.5
71.01368	0.7
71.20207	0.7
72.69406	0.5
72.72360	0.6
72.99298	0.5
79.91686	0.5
83.05020	1.5
84.04557	2.8
85.02947	0.8
86.70901	0.5
87.00861	2.2
89.02407	0.5
93.03430	0.8
95.05013	1.2
99.04514	0.9
100.04043	0.9
101.02440	0.6
102.05605	90.2
103.05948	2.2
109.02950	1.3
110.06112	0.9
118.05103	1.2
119.05034	0.9
121.06608	1.3
123.08128	2.5
128.03537	59.1
129.03903	1.2
135.04536	0.8
137.09697	0.6
146.04585	41.6
147.04903	1.0
153.09125	0.5
161.07155	0.5
162.09230	0.7
163.03972	0.8
171.11771	2.9
173.04590	0.9
189.09178	1.7
189.12833	1.4
191.05487	0.5
237.14957	2.3
237.29774	0.5
263.12839	1.3
281.13928	16.8
282.14322	1.0
327.64188	0.5
366.19083	3.4
392.17169	8.0
393.17328	0.7
404.67221	0.5
410.18164	100.0
411.18527	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	411.1268
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.90850	0.4
56.10743	0.6
59.01369	2.0
61.98828	5.0
69.64124	3.2
72.00908	30.8
73.66310	0.5
74.02471	17.1
85.44318	0.5
88.98798	0.7
94.87096	0.5
96.95966	0.5
98.20001	1.1
100.00407	39.2
100.04053	3.1
101.00684	0.6
101.02421	1.0
102.05586	2.8
103.05953	0.5
118.05105	100.0
119.05407	1.9
128.03545	1.8
134.04724	1.2
135.04552	0.8
144.03024	36.7
145.03386	1.0
146.04564	1.4
160.02623	4.8
163.03871	0.5
173.04639	0.5
176.93637	0.6
183.89186	0.5
193.05605	0.5
225.48732	0.5
275.52359	0.5
291.71628	0.6
375.06723	0.5
393.17551	0.6
411.12729	1.3
411.18515	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	411.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.6
61.98825	1.9
69.78968	1.0
71.01350	0.3
73.02945	0.2
75.00867	0.3
79.95737	6.0
80.96519	0.5
93.74142	0.2
95.95245	1.2
96.96007	14.8
110.97566	0.5
122.03048	0.2
136.04800	0.2
141.95673	0.3
149.90509	0.2
151.00723	0.3
161.02515	0.2
169.56441	0.2
173.04399	0.2
179.03587	0.2
255.17435	0.3
367.15930	0.6
383.15341	0.4
411.14792	100.0
412.15115	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	411.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27779	3.0
51.59948	3.0
52.66395	3.1
57.03447	83.2
59.01379	100.0
61.98835	19.7
65.16830	2.9
65.31269	2.8
69.65128	16.8
71.01386	40.5
73.02938	14.4
74.17701	3.0
81.30576	3.1
83.01404	4.7
83.05058	3.3
83.43151	3.2
85.02959	14.3
87.00849	5.0
89.02450	13.3
96.96014	6.9
99.00874	5.5
99.04515	80.7
101.02434	50.3
105.05556	9.6
106.42433	3.9
113.02435	15.9
119.03513	7.4
125.02441	43.7
143.03453	7.2
156.67578	3.1
161.04590	21.5
191.05597	7.3
192.05995	3.1
249.09799	26.7
267.10831	82.8
268.11191	5.8
309.12054	22.2
349.14667	3.7
351.16476	3.2
367.15915	3.8
411.14676	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03429	0.7
58.00595	0.8
59.01376	100.0
59.49752	0.4
60.01703	0.7
61.98824	4.5
65.97294	0.4
69.03462	0.5
70.05003	1.8
71.01376	18.0
72.99317	0.8
73.02941	20.7
79.95741	0.6
81.03467	0.5
83.01384	5.7
85.02953	3.8
87.00845	0.9
88.04061	1.6
89.02436	7.1
95.01393	1.0
96.96005	0.7
97.02940	0.5
101.02437	17.4
102.02842	0.5
112.73410	0.5
113.02446	10.0
113.76701	0.4
115.00390	1.0
119.03487	2.6
121.06601	0.9
125.02446	0.8
130.10696	0.4
131.03514	1.6
137.09708	7.1
138.10197	0.4
143.03487	1.1
149.04552	1.0
149.09769	0.9
161.04539	2.9
179.05595	0.9
184.99445	0.4
189.12862	0.7
200.67934	0.5
203.05638	0.4
210.11356	1.4
211.09975	0.4
259.29129	0.5
318.52280	0.5
411.14890	2.7
412.19751	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	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47277	0.4
55.01878	0.5
57.03444	1.0
58.00595	1.0
59.01377	100.0
60.01707	0.9
60.91635	0.5
61.55257	0.4
61.98828	1.6
69.03437	0.7
69.38703	3.0
71.01380	25.9
72.01740	0.5
72.99326	1.4
73.02945	29.4
83.01383	8.5
85.02942	3.9
87.00861	0.8
89.02448	8.7
90.15292	0.5
95.01418	1.4
99.00906	0.6
101.02441	27.1
113.02440	11.5
113.03154	0.8
119.03482	3.0
121.06634	0.8
125.02489	1.1
131.03473	2.6
135.04539	0.5
137.09723	10.2
137.10709	0.9
138.09999	0.6
143.03510	1.6
149.04575	1.1
155.03473	0.6
161.02524	0.5
161.04546	5.4
173.04634	0.6
179.05597	0.8
189.12903	1.8
271.29855	0.5
288.24655	0.5
319.61127	0.5
372.85687	0.4
374.02939	0.5
411.14987	1.0
412.27328	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32271	0.5
59.01377	8.1
61.98828	6.6
70.52348	0.6
70.63615	0.9
70.63970	1.7
70.93743	0.5
71.01372	2.1
71.84396	0.5
72.58394	0.7
72.99306	2.6
75.00870	39.3
87.00839	0.9
89.02447	6.5
117.01917	2.1
117.03447	1.0
135.02994	43.4
136.03317	1.2
145.02942	1.9
152.45552	0.6
161.02451	0.9
162.02757	1.3
163.02936	0.8
195.13875	6.0
204.90234	0.7
223.13382	5.3
224.13838	0.8
231.21179	0.7
256.13025	1.8
275.20187	3.0
276.20563	0.6
293.21213	100.0
294.21521	9.6
297.30289	0.7
323.16742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27457	0.9
59.01377	100.0
67.88390	0.8
69.95003	2.5
81.36099	1.0
98.19910	1.2
133.22244	1.0
153.66588	0.9
209.83952	1.1
227.57089	1.0
228.79054	1.0
316.82352	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	411.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02922	0.5
59.01377	100.0
62.66941	0.6
67.29835	0.6
70.44081	0.6
70.83930	1.4
71.61934	0.6
78.29574	0.6
79.27032	0.6
96.36621	0.5
101.14021	0.5
111.93690	0.7
137.73044	0.6
167.96065	0.6
243.04950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13625	0.3
54.99419	0.3
59.01379	4.3
60.96921	0.3
61.98827	100.0
69.19334	2.9
71.01391	1.9
72.99326	0.6
88.15651	0.3
89.02434	1.5
96.95998	1.1
101.02460	1.0
113.02473	0.5
119.03553	0.4
128.21835	0.3
135.04532	1.0
141.12845	1.8
161.02444	0.5
169.12340	0.6
173.04602	0.4
187.13379	4.7
295.78143	0.3
312.97946	0.3
327.89505	0.4
330.18243	0.3
349.18640	15.8
350.19080	1.4
413.16333	3.2
413.21484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49589	0.5
57.73171	0.6
59.01381	1.6
61.98817	1.7
68.91531	0.6
70.45044	1.9
78.95903	41.9
79.95732	2.6
96.96011	100.0
96.96964	85.1
111.21994	0.7
123.04520	8.5
124.04816	0.7
135.04459	1.2
153.05569	14.5
154.05876	0.6
177.05554	0.8
207.06535	1.0
209.01408	1.0
224.00093	0.7
224.59010	0.5
251.02356	4.9
251.04849	0.8
283.01279	1.4
315.10886	5.0
319.20432	0.6
335.08017	0.7
353.08975	1.0
413.07523	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	413.0854
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59000	0.4
55.66697	0.5
57.03432	0.6
58.05298	0.5
59.01377	2.6
59.53233	0.5
59.75670	0.6
61.98823	2.2
65.66150	0.5
70.84181	1.2
71.01368	1.0
77.65526	0.4
78.95904	51.3
79.95736	2.6
80.77921	0.5
89.02395	0.4
92.52153	0.5
96.96009	95.3
96.96958	100.0
120.04247	0.5
123.04526	9.7
132.82733	0.5
134.03731	0.7
135.04466	0.8
149.06042	0.6
153.05573	17.9
175.03931	0.6
177.05597	0.6
179.00233	0.6
209.01338	1.4
209.11761	0.6
221.01440	0.8
224.97058	0.5
251.02370	5.6
251.04851	0.9
255.98657	0.6
259.16800	0.5
310.49475	0.5
315.10806	5.0
404.23126	0.5
413.07498	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	32.8
58.03792	0.6
59.01376	28.0
60.01711	0.6
61.98832	4.7
71.01381	6.0
71.52219	0.4
72.99316	0.7
73.02921	1.8
79.95744	2.9
81.03449	0.6
83.01389	0.9
85.02929	2.3
87.00877	0.5
89.02444	1.2
95.95222	0.8
96.96008	3.0
99.00892	0.4
99.04519	25.2
100.04812	0.5
101.02443	9.4
107.05025	100.0
107.36684	0.4
108.05360	3.5
109.02869	0.4
113.02429	2.4
119.05022	0.4
123.04523	1.1
125.02436	14.0
133.02974	0.4
135.04524	1.5
136.57866	0.4
137.02458	0.5
143.03517	0.9
160.89351	0.4
161.02411	0.9
161.04567	4.4
173.04465	0.7
179.03499	0.7
194.86880	0.4
199.13359	0.5
203.05539	1.1
216.13359	0.4
243.08749	0.6
269.10284	1.4
311.11331	1.8
395.15134	0.4
413.16397	60.1
414.16745	7.1
414.21738	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31634	0.5
53.98310	0.5
55.01886	1.5
57.03447	100.0
57.79477	0.5
58.03796	0.9
59.01378	86.2
60.01717	1.2
69.17661	5.7
71.01383	17.7
73.02944	6.8
81.03446	1.4
83.01389	3.8
85.02944	9.1
87.00891	0.7
89.02432	0.9
92.18439	0.5
93.09280	0.6
95.01366	1.2
97.02950	0.6
98.19845	1.0
99.00875	2.4
99.04517	86.6
100.04865	1.9
101.02438	32.0
113.02455	9.0
114.02762	0.5
125.02442	25.7
131.37175	0.6
143.03513	1.8
159.02971	2.0
161.04552	8.3
253.76248	0.5
269.10287	26.6
270.10556	2.3
311.11368	2.5
334.18893	0.6
351.14374	1.3
394.25757	0.7
413.14377	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	413.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60718	0.8
55.01876	1.2
57.03448	100.0
58.03781	1.3
59.01378	95.9
60.01705	0.9
61.98819	2.2
69.27124	1.9
69.27538	6.7
69.34454	0.9
71.01009	1.2
71.01379	14.1
73.02944	5.8
81.03442	2.2
83.01391	2.6
85.02953	6.2
88.04020	1.5
95.01375	1.2
96.01643	0.8
96.95992	2.9
99.00854	2.2
99.04516	94.0
100.04854	2.1
101.02443	23.9
102.05618	5.2
111.85545	1.1
113.02461	4.6
115.00332	1.2
125.02446	40.9
128.03572	4.8
133.02898	0.9
135.04474	1.9
142.08719	1.7
143.03494	2.7
146.04567	3.3
152.18759	0.9
159.02943	1.3
161.02391	3.0
161.04520	4.6
168.58722	1.0
173.04559	1.8
188.09253	4.7
240.08801	0.9
269.10266	13.1
311.11389	2.9
413.14517	3.1
413.20364	2.0
414.21390	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	413.1639
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
57.03442	1.0
59.01378	5.4
61.67693	0.2
61.98818	0.8
67.01825	0.2
70.74290	0.6
71.01373	0.7
72.99310	0.2
79.95287	0.4
79.95738	6.1
80.96519	0.3
85.05840	0.2
89.02470	0.2
93.56693	0.2
95.95226	1.9
96.95995	1.2
99.04525	0.5
101.02442	0.4
109.03032	0.2
110.97564	0.6
123.04499	0.2
125.02436	0.3
133.02953	0.3
135.04495	0.7
137.02390	0.2
139.99937	0.3
141.95772	0.2
151.94115	0.2
152.99606	0.2
161.02478	0.3
163.03976	0.2
179.03493	0.2
181.05003	0.2
199.15959	0.2
224.07330	0.2
227.00330	0.2
241.00452	0.2
255.23407	0.2
313.97372	0.2
369.17493	1.5
385.16730	0.5
395.15244	0.7
407.14075	0.2
413.16370	100.0
414.16724	11.7
414.21109	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1636
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
54.32285	0.2
55.38628	0.2
59.01377	5.4
61.98826	0.3
70.71945	0.5
71.01363	0.4
72.99300	0.4
79.95735	7.5
80.96522	0.5
82.87161	0.2
89.02436	0.2
93.94071	0.2
95.95227	0.6
96.96008	10.9
109.02980	0.2
110.97567	1.1
127.99816	0.2
135.04506	0.5
141.95726	0.3
151.00743	0.3
152.99586	0.2
161.02434	0.3
179.95709	0.2
199.13422	0.7
201.11336	0.2
208.45447	0.2
303.59451	0.2
305.17911	0.2
315.19565	0.2
328.52228	0.2
333.20395	0.2
381.90152	0.2
390.39288	0.2
395.15131	0.4
413.16364	100.0
414.16681	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	413.1638
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
53.04581	0.2
58.54142	0.2
59.01382	2.3
73.02963	0.3
76.66396	0.3
79.95735	52.1
80.96514	24.7
87.67054	0.2
96.96009	9.0
108.07081	0.3
164.81827	0.3
208.05263	0.3
218.85919	0.3
276.90881	0.3
298.16974	0.3
303.19656	1.4
331.19119	13.0
332.19424	1.1
333.20447	0.4
413.16364	100.0
414.16650	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	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16850	0.3
59.01376	100.0
60.01713	0.9
61.98841	0.7
69.03473	0.5
69.41289	0.7
69.41692	2.2
71.01382	7.9
72.99328	0.5
73.02944	10.3
75.00877	0.5
79.95741	1.0
83.01389	2.6
85.02964	1.0
87.00914	0.4
88.04043	0.8
89.02444	1.4
96.96011	1.4
101.02439	7.8
109.02982	0.4
110.52763	0.4
113.02434	3.0
114.12348	0.3
119.03513	0.7
121.02985	0.4
125.09753	0.4
131.03484	0.7
135.04546	0.7
143.03621	0.4
149.04590	0.7
149.09706	17.3
150.10091	0.9
161.02519	0.6
161.04535	2.4
173.04599	0.3
210.38258	0.3
355.11606	0.4
375.26834	0.5
381.33643	0.4
404.29279	0.4
408.33853	0.4
413.16412	4.3
414.16376	0.5
414.21350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03446	10.9
58.00595	0.5
59.01377	100.0
60.01723	0.7
61.98827	3.7
64.50893	0.4
67.01879	0.4
69.03445	0.9
70.11417	1.5
71.01381	22.7
72.99319	1.2
73.02944	18.3
79.05527	0.6
81.03474	0.8
83.01379	5.6
83.05019	1.2
84.05376	0.3
85.02950	6.4
87.00899	1.5
89.02441	5.1
95.01379	1.9
95.05038	0.7
96.95998	0.4
97.02938	1.3
98.19999	0.5
99.00876	1.6
99.04530	0.5
101.02441	16.5
101.03112	0.8
102.02800	0.5
107.05051	0.7
109.06586	2.3
113.02448	7.6
119.03498	1.6
121.06596	6.2
123.08150	1.2
125.02446	1.3
131.03502	1.1
131.85944	0.4
135.04471	0.9
137.09767	0.8
139.07652	5.1
143.03487	1.5
145.10106	0.4
147.08174	3.0
149.04549	1.2
149.06055	0.5
149.09709	2.5
151.07664	2.6
152.01152	0.6
155.03532	0.4
159.03003	0.4
161.04546	5.1
161.09737	0.8
163.07616	0.4
163.11304	0.9
165.09186	1.5
167.10765	10.6
168.11095	0.5
173.04630	0.4
173.09679	1.1
176.01164	3.4
179.05583	0.6
179.10733	1.4
181.12331	3.7
189.09167	0.8
191.03506	6.8
191.10771	21.3
192.11072	1.7
197.02908	0.4
203.05595	3.4
207.10251	0.4
208.00117	0.7
209.11810	51.8
210.12129	3.1
286.26108	0.4
329.16089	0.4
353.16006	3.7
371.17102	2.8
413.06790	0.8
413.13638	0.7
413.18756	2.9
414.18286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.1
57.03447	11.9
57.86693	0.5
59.01378	100.0
59.62096	0.6
60.01701	0.6
61.98829	28.3
69.03445	1.3
70.36923	1.2
71.01382	23.6
72.01717	0.7
72.99319	1.2
73.02943	18.7
81.03458	1.2
83.01393	5.1
83.05037	1.5
85.02956	4.9
87.00890	1.7
89.02452	4.4
93.03419	0.9
95.01397	1.1
95.05016	0.9
96.96012	1.3
97.02937	0.7
97.06620	0.9
98.19984	0.7
99.00890	1.8
99.04565	0.5
101.02439	14.8
102.05599	0.8
109.06602	3.0
113.02448	8.6
119.03519	1.1
121.06602	5.5
123.04608	0.8
123.08156	0.8
125.02486	0.6
128.03551	1.8
131.03525	1.1
133.06700	0.7
135.04604	0.6
136.99178	0.6
137.02464	0.8
139.07642	5.7
143.03497	1.2
144.00070	0.5
146.04634	0.6
147.08122	3.4
149.04570	0.8
149.09743	2.3
151.07690	2.0
161.04562	5.4
161.09764	0.7
165.09216	1.0
167.10783	10.8
168.11159	0.6
173.04575	0.9
173.09729	1.0
179.05548	0.8
179.10847	1.7
181.12363	2.6
191.05707	0.7
191.10773	20.6
192.11198	0.8
203.05653	2.3
204.08923	0.5
209.11819	49.8
210.12158	2.8
267.18158	0.6
269.40845	0.6
298.17834	0.6
335.24777	0.6
353.15945	3.9
371.16995	2.9
413.17920	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	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01380	100.0
60.01712	1.2
61.98826	0.5
63.45829	0.3
70.26028	1.0
71.01377	1.7
72.99315	0.3
73.02982	0.4
77.47829	0.2
79.95741	0.4
85.02983	0.7
88.04060	0.3
89.02467	0.6
96.96029	0.6
99.04552	0.3
101.02470	0.7
102.54297	0.2
113.02498	0.6
116.82977	0.2
122.03756	0.3
125.02518	0.3
125.51635	0.2
135.04579	0.5
146.03056	0.2
148.54234	0.3
258.63028	0.2
266.28207	0.2
317.51215	0.3
413.16309	5.7
414.17188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94254	0.3
54.07346	0.3
56.45686	0.3
57.03450	0.8
57.71991	0.4
59.01376	100.0
60.01700	1.0
69.64281	1.6
69.64687	0.6
71.01374	2.1
73.02926	0.8
85.02924	0.7
89.02477	0.5
96.96013	0.3
98.95573	0.4
101.02438	1.7
102.30176	0.3
112.71580	0.3
113.02487	0.7
119.10983	0.4
125.77766	0.3
144.76308	0.3
155.11908	0.3
161.04576	0.8
201.26035	0.3
211.65363	0.3
234.56155	0.3
292.29111	0.4
292.49722	0.4
413.15088	2.0
413.20676	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	1.0
61.98832	1.3
65.72309	0.3
69.18987	3.2
71.01382	2.1
72.99314	0.6
73.02961	0.9
78.88621	0.4
79.95725	0.5
83.01415	0.5
85.02950	0.6
89.02463	1.5
95.95313	0.5
96.59555	0.3
96.96012	1.3
98.19930	0.7
101.02460	1.3
113.02454	0.9
119.03515	0.8
121.67175	0.3
135.04547	0.5
143.03586	0.4
153.34702	0.4
161.04591	0.5
331.30692	0.4
333.01169	0.4
337.68762	0.4
413.16418	9.4
414.16620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
57.03454	0.6
59.01378	100.0
60.01712	1.1
61.98842	0.3
71.01379	6.2
71.51612	0.2
71.51941	0.3
72.99305	0.3
73.02950	1.7
83.01405	0.9
85.02946	2.8
87.00926	0.4
89.02448	1.0
95.01380	0.5
96.96021	0.9
99.00905	0.6
101.02438	4.2
113.02457	2.7
119.03488	0.3
143.03546	0.4
148.65567	0.2
149.41367	0.2
159.02972	0.4
161.04552	1.6
163.50056	0.2
170.62788	0.2
177.80920	0.2
185.93524	0.2
193.90082	0.2
209.15410	1.1
353.19644	1.8
371.20700	6.0
372.21207	0.7
413.16452	3.8
413.21741	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03864	0.3
53.52251	0.3
55.01868	0.6
57.03449	1.3
59.01379	100.0
60.01707	1.6
61.29043	0.4
66.98508	0.3
69.70338	0.3
71.01380	8.9
72.99313	0.4
73.02943	3.4
79.95731	0.8
83.01404	1.2
85.02946	5.1
87.00883	0.4
89.02428	1.7
95.01388	1.1
96.96030	1.5
97.02995	0.4
99.00896	1.1
101.02436	7.0
113.02463	4.4
119.03471	0.5
125.02463	0.4
135.04565	0.4
158.30934	0.4
159.03082	0.4
161.04527	3.8
209.15508	1.8
246.11591	0.4
307.74890	0.4
353.19623	2.6
371.20700	10.9
372.20871	1.9
413.16519	5.9
413.21896	1.2
414.16748	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31629	0.6
59.01379	8.5
61.98820	3.0
62.92277	0.5
71.01381	1.9
71.36679	1.2
72.99308	1.3
75.00868	26.9
87.00898	1.0
89.02448	3.9
99.00883	1.7
112.11027	0.7
113.09718	1.3
116.92850	0.9
117.01919	1.5
130.23953	0.6
135.02991	26.1
171.10262	7.3
195.13911	6.7
277.21689	17.2
278.21973	1.0
285.42978	0.7
295.22760	100.0
296.23120	10.8
413.19882	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35444	0.9
51.85016	1.0
56.75655	0.9
58.27902	0.8
59.01377	100.0
59.27985	0.8
60.01707	1.4
69.31270	7.5
97.69897	1.1
98.20631	1.8
255.34148	0.8
309.06104	1.1
379.88141	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	413.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01707	1.3
66.20315	0.6
66.63447	0.7
71.01071	1.6
83.27155	0.7
99.82226	0.6
137.40491	0.8
144.28944	0.6
160.11815	0.7
173.60622	0.7
274.30875	0.7
376.88327	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80618	0.4
59.01381	100.0
60.01714	10.4
61.01812	0.9
61.98833	5.4
67.28204	0.4
69.03450	0.4
69.68056	0.6
69.68472	1.4
71.01382	2.8
72.99319	1.8
73.02955	1.1
79.95744	3.7
83.01382	0.4
85.02969	1.2
87.00894	0.6
89.02440	1.8
93.03459	0.7
95.95229	0.4
96.96016	8.2
96.96606	0.5
99.00889	0.4
101.02468	1.7
102.05629	0.4
104.05110	0.7
106.06658	1.3
108.04586	0.9
109.03053	0.8
113.02448	1.1
116.92848	0.5
119.03494	0.4
119.05054	0.8
120.99667	1.7
123.04575	0.8
128.03592	0.6
128.44843	0.3
132.04555	4.0
133.02968	0.8
134.03825	0.5
134.06119	7.6
135.04527	3.1
137.02507	0.6
144.04576	0.6
148.04050	1.2
156.80568	0.3
158.06171	1.1
160.04102	1.0
161.02423	2.2
162.02754	0.4
164.07172	0.4
168.06743	0.4
173.04619	0.8
176.03596	1.1
177.01915	0.6
179.03580	1.5
188.03618	0.9
197.04504	0.7
227.12202	0.4
251.11868	3.3
255.11469	0.8
267.11511	0.8
279.11362	4.7
279.82065	0.4
295.06369	0.6
295.10971	1.6
305.21301	0.7
323.10382	4.6
333.14578	2.0
337.12015	0.6
341.11511	0.4
355.13010	13.3
383.12579	2.6
396.21649	0.6
397.17200	0.4
414.16644	6.3
414.21283	0.8
415.18234	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	415.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.0
58.99598	9.2
59.01379	11.4
61.98832	3.4
71.01375	4.4
72.99300	3.7
73.02945	1.4
74.99094	1.7
78.05882	0.9
78.07604	1.1
79.95753	1.3
80.96531	1.7
83.05026	1.8
85.02937	1.1
88.04062	1.3
89.02448	2.2
93.03445	0.9
96.96012	15.6
99.04536	1.0
101.02449	1.6
102.05619	3.2
102.98596	53.1
105.01929	1.5
109.02985	1.8
112.25079	0.9
113.02382	1.2
115.00388	2.7
119.05011	2.0
120.99635	5.7
121.02930	1.1
123.04536	1.6
128.03526	2.5
129.10297	1.7
132.02997	1.4
133.02942	1.5
135.04526	5.7
147.11638	0.9
157.91376	0.9
161.02441	5.4
163.00682	3.1
163.04042	2.7
165.02008	1.1
173.04588	2.6
177.01857	1.1
179.03468	1.7
180.04216	1.2
181.05098	1.5
192.04248	1.7
197.04593	1.5
207.06654	1.2
243.16986	1.0
291.16959	1.2
298.17731	1.1
339.05054	1.1
371.20874	1.0
415.18039	100.0
416.18521	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86383	0.8
59.01373	15.2
61.98819	3.1
70.00931	3.6
71.01372	7.8
72.99287	1.4
73.02937	1.0
73.13563	0.9
83.01391	1.1
85.02950	2.8
86.69754	1.0
87.00857	1.1
89.02447	6.8
93.03481	1.5
93.39558	0.8
101.02459	4.3
106.16046	0.9
108.02192	2.8
109.02962	2.0
113.02465	2.0
119.03526	2.5
119.08673	1.2
121.02913	0.8
122.03696	1.1
123.04496	1.6
128.03514	1.0
134.03737	62.8
135.04445	2.6
137.02420	2.8
137.06085	1.1
147.60995	0.8
149.06082	19.7
150.06468	0.9
152.01154	2.3
153.01978	1.1
171.60393	1.0
173.04562	2.6
173.09590	1.0
178.02710	15.6
179.03378	1.9
191.05612	9.6
191.10764	3.5
193.05043	100.0
194.05394	3.9
220.31995	1.0
232.92218	1.0
235.05925	1.1
235.09779	2.0
353.08652	2.2
355.10318	2.4
356.10873	0.9
415.16333	16.0
416.16357	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
59.01379	40.3
61.98814	1.6
70.63609	2.3
71.01380	13.2
72.99316	1.1
73.02940	3.6
76.80608	0.9
81.03452	2.4
83.01374	2.2
83.05019	1.9
85.02961	8.4
86.77641	0.9
89.02436	6.3
95.01379	4.9
101.02447	7.8
108.02173	79.9
109.02960	60.9
109.03581	0.7
110.03279	1.2
113.02451	5.5
119.03457	2.0
123.00845	2.4
123.04516	2.0
124.05241	1.2
125.06108	1.1
128.03552	1.1
133.06548	1.2
135.04503	1.2
137.06058	1.4
138.06877	2.1
139.07635	4.7
143.03403	0.8
151.04053	1.4
151.07588	2.7
152.01147	79.9
152.45615	0.7
153.01938	30.1
153.05434	0.9
158.07594	0.8
161.04477	2.6
163.04039	1.1
165.01979	1.6
167.03448	3.7
175.07570	1.7
179.90207	0.9
181.05049	1.0
191.10764	11.8
196.07425	1.0
209.11821	1.2
211.09787	1.1
219.21419	0.8
315.07309	4.6
357.08270	10.2
397.11411	5.6
415.12302	100.0
415.16098	19.8
416.12024	8.2
416.17438	1.6
433.68613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
55.31819	0.6
57.03447	1.6
58.00589	1.2
59.01379	34.7
69.55563	3.1
71.01379	17.8
72.01717	0.5
72.99308	1.1
73.02940	1.0
81.03446	0.6
83.01395	1.3
83.05025	0.9
85.02957	4.4
87.00887	0.9
89.02442	16.9
95.01402	1.7
96.52013	0.6
99.00861	0.9
101.02445	12.4
107.05027	1.0
109.02934	1.8
109.06653	0.8
113.02454	5.5
119.03503	6.3
120.22466	0.6
121.06594	2.5
122.03738	9.0
133.06631	0.9
135.04529	1.7
137.06079	7.0
139.07652	1.1
143.03552	0.5
149.09723	1.9
165.05537	2.3
173.09685	1.1
175.07646	0.8
179.05603	0.6
191.10748	10.0
235.09747	1.2
236.05550	0.6
253.06953	0.6
415.16092	100.0
416.16354	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	415.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.8
58.00603	1.0
59.01378	31.8
69.55674	4.2
71.01385	17.1
72.99310	1.0
73.02957	0.7
77.79694	0.7
83.01379	1.6
85.02924	4.8
85.38469	0.7
87.00900	0.9
89.02441	19.0
95.01394	1.9
97.06592	0.7
101.02437	12.1
109.02921	0.9
113.02450	5.4
119.03495	6.3
121.06596	2.9
122.03738	6.2
133.06612	1.0
135.04524	1.1
137.06091	7.8
139.07675	1.9
143.06116	0.7
149.09705	1.6
165.05519	2.5
173.09691	2.0
189.09229	0.8
191.10771	11.5
225.61139	0.7
235.09853	1.0
415.16074	100.0
416.16479	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53438	0.7
55.01864	1.0
57.03437	2.6
58.00589	1.1
59.01378	50.8
61.98835	5.4
66.72200	0.7
70.36655	2.5
71.01377	23.3
72.99297	3.4
73.02939	3.4
78.95906	1.0
81.03465	1.9
83.01378	2.8
83.05015	2.0
85.02950	8.3
87.00873	2.2
87.05601	0.9
88.98797	0.8
89.01946	1.0
89.02446	15.9
92.78993	0.6
95.01376	3.3
96.96018	1.6
97.02955	0.8
99.00858	1.2
101.02431	14.2
101.06120	0.7
102.05587	1.0
107.04996	1.8
108.02176	24.1
109.02950	49.7
109.06591	1.3
110.03233	1.3
111.04505	1.0
113.02438	7.8
119.03528	4.5
121.06589	0.7
122.03783	3.5
123.04517	2.7
124.05278	2.8
125.06046	1.3
125.09715	0.7
128.03543	2.3
133.02956	0.9
133.06558	1.8
135.04488	1.7
137.06071	3.1
138.06871	6.5
139.07657	10.9
141.67314	0.8
146.04539	0.9
149.09700	1.8
151.00932	0.7
151.03979	1.1
151.07631	5.3
152.01151	26.2
153.01929	51.3
154.02267	1.4
161.04565	1.2
165.05510	1.2
167.03429	2.2
173.09680	2.1
175.07695	5.0
181.05006	0.8
181.14302	0.9
191.10773	30.7
192.11095	1.7
209.11786	1.5
211.13286	0.9
211.69440	0.7
235.09488	1.1
260.31973	0.9
313.12869	1.4
336.05396	1.1
352.13284	1.7
357.08276	4.2
386.78738	0.8
394.09705	0.7
397.11343	1.8
415.16495	100.0
416.11517	1.1
416.16599	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27103	0.2
57.03449	1.4
59.01374	8.4
61.98827	1.3
70.84157	0.4
70.84481	0.5
71.01377	2.4
72.99302	0.5
73.02952	0.3
74.02470	0.4
78.95897	0.6
83.01389	0.6
85.02958	1.0
87.00910	0.3
88.98807	1.2
89.02441	1.3
93.03465	0.4
95.05037	0.8
96.00906	0.3
99.04515	1.6
101.02442	1.9
105.03414	0.2
113.02448	0.8
115.26138	0.2
117.05558	1.1
119.03500	0.4
119.05096	0.2
121.02969	1.2
122.03760	0.8
123.04517	71.9
124.04847	2.5
125.02463	0.6
137.02417	0.3
151.04045	0.6
152.04776	0.6
152.99596	0.9
153.05566	100.0
154.05907	4.0
161.04608	0.3
185.45862	0.3
191.10806	1.0
195.06602	1.2
209.11757	0.4
219.06621	0.4
235.09804	0.5
235.11874	0.4
277.48657	0.3
297.09772	3.9
315.07529	0.4
315.10828	2.6
357.11935	1.9
379.16089	0.7
380.17957	0.4
381.18250	0.3
383.08829	0.3
415.15134	2.9
415.20343	1.0
420.67798	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75953	0.3
59.01378	2.6
60.07228	0.2
61.98817	1.1
69.37948	1.1
69.38380	1.2
69.83423	0.3
72.99312	0.3
79.95731	29.6
80.96515	1.0
95.95226	0.4
96.96006	12.9
101.02437	0.3
109.96780	0.5
110.97573	2.7
120.99664	0.8
135.04536	0.5
141.95769	1.5
149.25958	0.3
160.89072	0.3
169.90794	0.3
170.72382	0.3
193.29790	0.3
201.11264	0.5
243.17560	0.4
245.19057	1.6
303.19516	1.7
305.21170	7.3
306.21652	0.7
386.49380	0.3
387.15189	0.4
415.17947	100.0
416.18268	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	415.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.3
61.98822	0.5
68.30495	0.2
68.76320	0.2
70.75346	0.3
71.01386	0.3
72.99328	0.3
79.95734	1.9
80.96503	0.2
81.95310	0.3
95.05013	0.2
95.95222	1.2
96.96005	15.7
101.02435	0.2
109.02988	0.2
135.04504	0.4
145.18073	0.2
163.04024	0.2
173.04491	0.2
181.87740	0.2
187.10930	0.2
212.40309	0.2
257.59601	0.2
269.08209	0.2
295.05884	0.2
346.70303	0.2
356.08954	0.3
383.15256	0.5
397.16998	0.9
415.17911	100.0
416.18265	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	415.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.9
60.01707	0.4
61.01798	0.4
61.98827	7.8
70.84468	0.7
71.01369	0.9
72.99303	0.9
73.02947	0.7
78.92565	0.3
79.95735	17.4
80.96508	0.9
83.01346	0.4
85.02937	0.4
87.00869	0.3
89.02457	0.6
93.03472	0.3
95.95252	0.4
96.96007	30.2
98.33675	0.3
98.95612	0.5
101.02444	0.8
102.51427	0.3
105.01990	0.3
109.02972	0.4
110.97588	1.5
113.02374	0.5
116.43414	0.3
119.05053	0.3
120.99635	1.7
135.04517	1.8
141.95728	0.5
157.17067	0.3
161.02470	0.6
173.04646	0.4
179.03490	0.6
187.07655	0.4
197.04530	0.4
209.11638	0.3
243.17961	0.3
245.19080	0.6
246.82388	0.3
270.41766	0.3
298.55365	0.3
303.19766	0.8
304.20120	0.3
305.21167	3.7
306.21408	0.4
333.16388	0.3
348.95480	0.4
371.15372	0.4
373.90543	0.3
383.04126	0.6
397.17175	0.3
415.17957	100.0
416.18332	10.8
416.23056	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49857	0.3
55.90933	0.4
58.91735	0.4
59.01379	6.2
61.98831	10.0
70.71255	1.1
71.01365	0.5
72.99308	2.1
79.95741	1.4
88.98833	0.5
96.96010	54.5
105.01929	1.5
109.02966	0.9
119.05030	0.9
121.02946	0.7
123.04502	0.5
124.87206	0.3
125.44680	0.4
132.04555	0.6
133.02940	1.1
134.03752	0.7
135.04535	4.5
137.02518	0.5
149.02461	0.8
150.03232	0.5
151.04022	0.5
161.02444	3.0
176.03525	0.4
179.03484	2.4
181.05103	0.7
197.04587	1.1
201.11491	0.5
297.08871	0.8
311.05707	0.7
327.21619	1.2
353.17950	3.1
369.17322	5.0
370.17630	0.7
383.08762	0.7
415.17920	100.0
416.18289	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30800	2.2
59.01387	10.9
59.53933	2.5
60.99304	13.2
61.98817	10.7
69.94148	6.7
88.98803	100.0
96.95985	4.8
103.92008	3.1
105.01929	2.8
105.69158	2.2
112.98606	2.3
124.93416	2.1
133.02980	2.5
341.23373	4.3
346.02643	3.2
379.12009	3.4
411.92993	2.2
415.17856	9.9
415.23120	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	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62354	0.3
51.77146	0.3
59.01377	100.0
60.01715	1.2
61.98832	1.3
71.01386	1.1
71.52434	0.6
72.99310	1.2
73.02969	0.4
79.95747	1.1
87.00901	0.6
96.95976	0.9
97.06622	0.4
101.02421	0.6
105.01936	2.3
109.02948	0.7
110.76794	0.3
113.02464	0.8
123.04566	0.4
135.04527	2.0
151.04044	0.3
161.02443	1.0
163.03947	0.3
166.78552	0.4
173.04581	0.4
179.03487	1.4
180.04042	0.3
197.04594	0.6
199.13477	1.1
286.49152	0.3
327.21729	3.2
333.20718	0.4
415.17957	30.8
415.22894	1.5
416.18234	3.1
428.30295	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	5.2
61.98827	4.7
64.14089	0.5
71.01373	1.7
71.51678	0.4
75.75000	0.5
87.00858	0.6
92.71036	0.6
109.06591	1.9
163.11325	1.1
171.10313	1.1
177.82970	0.5
180.62810	0.4
198.09512	0.5
199.09863	0.7
207.10141	2.1
225.11153	0.8
308.00912	0.5
326.32465	0.5
333.20688	100.0
334.20987	11.9
353.09485	0.5
415.20990	48.8
416.21323	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	415.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.2
74.99101	5.7
77.00665	75.6
147.08131	1.7
149.09737	2.2
163.11285	2.6
187.11292	3.0
204.79572	1.1
225.45799	0.9
243.13881	1.0
265.11877	1.0
266.60138	1.0
279.23071	1.3
280.14703	1.2
309.22214	2.0
322.19543	1.1
337.21719	100.0
338.22058	11.4
415.23132	16.2
416.23346	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	415.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98259	0.3
51.63182	0.3
59.01376	100.0
60.01708	1.0
69.26510	0.5
69.26916	2.3
71.01376	3.3
73.02953	1.1
79.95735	0.9
85.02944	1.8
89.02457	0.9
93.61583	0.3
96.96027	0.8
99.00861	0.4
99.36784	0.3
101.02444	2.6
113.02467	1.0
121.79429	0.3
129.14008	0.3
145.89493	0.3
151.32147	0.3
161.04573	1.0
219.78819	0.3
234.37799	0.4
373.22318	3.1
402.16589	0.3
415.17957	6.1
416.18256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01727	0.9
69.59547	3.5
98.20606	1.1
111.61636	0.5
113.28415	0.5
189.11032	0.7
431.71371	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01694	0.7
61.98840	0.5
70.36701	1.1
70.37096	0.9
137.28856	0.5
187.65489	0.4
277.51285	0.5
343.26172	0.5
368.47882	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01379	20.0
61.85620	1.3
61.98827	20.3
65.04028	1.1
67.01900	4.3
69.03459	1.3
69.77923	6.4
71.01379	13.5
71.98325	1.4
72.01698	1.3
72.99313	1.8
73.02950	3.7
75.00867	2.8
83.05037	2.3
85.02950	9.4
85.19454	1.4
87.00885	1.4
89.02442	7.8
90.33441	1.2
92.90092	1.3
93.03448	24.0
95.01328	1.5
99.04514	2.0
101.02444	7.7
109.02977	1.2
111.04546	6.1
113.02427	4.5
119.03502	3.7
125.02576	1.4
125.06104	1.6
127.04031	2.6
134.03728	2.5
135.04518	67.1
135.44269	1.3
136.04860	1.9
137.02460	5.2
153.05493	1.7
155.03494	5.0
161.02415	3.5
163.07487	1.6
167.03535	2.1
173.04539	100.0
174.04906	2.8
179.03485	63.6
180.03856	3.1
191.05595	45.5
192.06032	1.4
211.13399	1.6
279.06131	1.2
353.08746	72.1
354.08957	4.4
416.16583	11.2
417.09863	2.2
417.17612	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	416.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96247	0.2
59.01377	3.1
61.98829	100.0
62.98541	0.2
67.64656	0.2
69.54963	0.3
69.55367	1.0
71.01389	0.6
89.02454	0.6
95.83403	0.2
97.24962	0.2
101.02470	0.5
113.02443	0.4
153.60159	0.2
161.04538	0.5
287.54749	0.2
357.15594	0.6
393.65140	0.2
417.17511	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0824
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
55.40836	0.2
57.03445	0.3
59.01369	1.4
59.97672	0.3
61.98822	0.5
64.43364	0.2
65.00325	0.4
69.53869	1.0
75.00872	0.6
79.95728	0.6
80.22136	0.2
83.01389	0.3
88.23978	0.2
93.03433	0.4
96.95453	0.2
96.95978	1.3
98.95557	0.4
101.02435	0.5
107.01377	0.9
115.92101	0.5
125.02454	0.5
132.02158	0.6
133.02916	0.3
135.00822	0.5
137.02409	0.3
143.05003	0.2
149.02438	0.2
151.00371	1.6
153.01843	0.3
159.04457	0.4
161.02412	0.3
163.00340	0.8
164.01143	0.4
166.02477	0.3
173.04504	0.7
178.99879	0.3
183.04503	0.6
185.02345	0.3
185.06107	0.5
187.03970	0.8
191.05537	0.3
195.04602	0.3
197.06042	0.3
209.11789	0.6
211.03935	1.2
213.05621	0.5
227.03474	65.3
228.03825	4.5
229.05037	2.1
235.64215	0.3
239.03436	0.8
243.03000	0.3
255.02960	88.8
256.03568	11.7
256.07858	0.3
257.04437	1.5
283.02505	0.4
284.03235	85.9
285.03918	23.5
286.04398	1.4
327.05167	0.6
339.75607	0.3
399.18420	0.2
417.08228	100.0
417.19586	12.6
418.08566	10.2
418.19592	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04978	1.4
51.65846	1.1
55.01875	2.0
57.03436	1.5
58.00588	1.8
59.01378	97.1
60.01723	2.1
61.98827	2.7
67.01897	1.6
69.03452	2.9
69.90198	3.6
71.01379	52.7
71.05044	2.1
72.99308	2.9
73.02945	72.8
75.00878	5.9
79.95744	2.2
83.01385	20.1
83.05048	1.3
85.02951	4.6
87.00906	3.0
89.02451	8.0
93.03459	2.1
95.01360	2.3
95.05025	5.9
96.96012	14.3
97.02953	2.0
97.06583	3.3
98.20636	1.6
98.95602	4.6
99.00871	2.0
99.04546	1.4
101.02443	50.0
102.02797	1.6
102.41497	1.1
104.43732	1.2
104.86081	1.0
107.05042	10.2
113.02460	12.8
113.20174	1.2
115.07668	7.3
119.03506	3.4
120.10005	1.1
123.00888	1.5
125.02460	3.6
125.09702	1.5
131.03474	2.9
133.03058	1.0
134.03734	1.3
135.04544	4.3
135.08136	1.5
136.05286	2.4
139.11292	3.3
143.03511	2.8
149.04585	3.6
149.09784	2.0
151.04150	1.5
151.05286	1.3
151.11278	51.7
152.11621	2.5
153.12860	1.8
155.03513	1.5
161.02405	5.6
161.04541	8.7
164.08417	3.7
167.10808	2.9
169.12352	5.3
171.10185	1.1
173.04558	4.6
177.09203	9.5
179.03505	2.7
185.11823	5.1
191.05644	1.4
193.12321	6.1
195.10249	100.0
196.10544	6.3
203.05676	1.1
211.13408	5.0
213.11317	19.6
224.20715	1.1
260.46301	1.1
284.03448	1.6
337.20047	1.7
411.43060	1.1
417.08649	1.4
417.19211	41.3
418.19720	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03448	4.1
58.00595	1.1
59.01381	32.4
61.64152	0.6
61.98825	7.9
69.33789	1.5
69.34190	4.6
71.01381	30.6
72.97524	2.0
72.99303	2.2
73.02952	7.2
75.00879	3.5
83.01376	4.7
83.05029	2.4
85.02950	12.6
87.00863	1.4
89.02440	17.6
95.01395	2.2
96.96005	1.5
97.06537	0.7
99.00871	2.1
101.02440	20.7
111.00880	1.1
113.02444	13.4
115.00350	0.7
119.03503	7.0
123.08199	1.1
125.06071	1.8
131.03462	0.9
135.04573	0.9
135.08156	0.9
135.41364	0.7
136.04854	0.9
139.07681	1.0
141.09242	0.8
143.03522	0.9
149.04480	0.7
161.04536	4.3
162.50185	0.7
173.04555	1.0
174.04903	1.3
175.11252	1.8
179.03537	0.9
179.05566	1.7
180.03886	1.1
187.98665	0.7
191.05666	0.9
193.12317	1.9
193.79399	0.7
211.13371	3.3
237.11337	1.5
255.12509	0.8
258.29129	0.7
332.11252	0.6
341.10822	0.8
354.09045	1.0
373.18774	1.6
417.17624	100.0
418.12939	0.9
418.17972	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	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
56.55914	0.8
57.03448	3.8
58.00587	3.2
59.01378	82.8
61.98826	3.9
69.55721	4.6
70.36166	0.8
71.01379	63.1
72.99303	3.9
73.02946	5.8
73.28996	0.7
73.47386	0.8
75.00865	1.6
83.01392	4.2
85.02952	16.9
87.00882	4.0
89.02443	55.8
90.02782	0.9
93.52744	0.7
95.01402	5.8
99.00887	3.0
100.84377	0.7
101.02442	34.0
113.02447	22.7
119.03498	26.2
119.04343	1.5
123.08174	4.1
128.68253	0.8
131.03484	1.8
143.03528	4.0
149.04509	1.6
161.04567	6.2
173.04655	1.0
175.11304	2.2
179.05635	8.9
193.12247	3.6
237.11295	4.1
322.46683	0.7
337.34457	0.8
417.17627	100.0
418.17938	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	417.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44992	1.0
55.01862	2.3
57.03442	5.6
58.00576	4.0
59.01376	100.0
60.01702	1.1
61.98827	20.2
70.51675	1.1
70.52026	3.0
71.01378	80.7
72.01743	1.0
72.99309	5.4
72.99650	1.2
73.02953	8.6
75.00861	3.9
83.01366	4.9
85.02940	22.3
87.00874	4.5
89.02439	80.3
90.02760	2.2
95.01398	6.1
99.00863	3.1
101.02435	49.4
102.02753	1.5
105.18549	1.0
113.02444	30.1
119.03489	39.9
122.89770	1.0
123.08137	4.6
125.02403	2.3
131.03494	3.9
135.04480	1.0
143.03497	6.1
149.04520	2.7
153.05548	1.6
161.04539	11.5
175.11249	3.5
179.05588	15.8
191.05688	2.4
193.12306	4.6
237.11263	1.9
354.09134	1.7
417.17618	85.2
418.18011	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	417.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97128	1.0
55.01877	1.9
57.03435	4.3
59.01380	100.0
60.01691	1.3
61.98830	26.0
69.54913	1.9
69.55308	5.9
71.01385	27.0
72.99313	2.8
73.02933	8.9
73.67017	1.0
75.00873	3.0
83.01382	5.4
85.02951	10.1
87.00876	2.2
89.02431	3.7
95.01332	1.2
96.96003	3.5
96.96975	2.8
97.02933	3.0
99.00884	6.3
99.04504	2.9
101.02444	17.4
111.00864	2.7
113.02457	9.9
115.00343	1.6
123.04444	1.3
125.02460	2.8
125.09723	5.2
126.03254	2.4
129.01942	3.1
139.95364	1.0
143.03505	2.4
145.01413	4.6
147.89261	1.0
159.02966	2.3
161.04552	28.7
165.09178	3.6
173.00916	11.3
175.95706	1.3
187.09666	2.3
191.02017	2.9
195.10287	5.0
209.11766	6.6
213.11079	1.6
225.11533	1.6
227.12849	2.7
229.77835	1.0
235.11751	1.6
265.14413	1.2
267.12372	4.4
279.07498	1.0
309.13406	1.3
357.15503	19.5
358.15756	2.0
379.16214	1.5
408.05588	1.2
417.19345	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	417.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66806	0.2
57.03442	0.9
58.03781	0.3
59.01381	2.1
61.98826	0.3
62.18348	0.2
66.68584	0.2
70.21707	0.7
71.01377	2.0
72.99352	0.2
73.02926	0.3
75.00869	0.3
79.95728	1.0
80.96522	0.2
83.01387	0.7
83.05022	0.3
85.02967	0.3
87.00889	0.3
89.02448	0.4
93.03466	0.2
95.95226	0.5
96.70855	0.2
96.96008	5.9
98.20502	0.3
98.95594	1.5
98.96187	0.2
98.96471	0.2
99.00884	2.1
101.02438	1.7
109.10307	0.2
125.09741	0.5
129.01941	0.9
134.03722	0.2
135.04530	0.6
173.00891	2.6
173.04523	0.8
183.10211	0.2
191.01994	1.6
191.05504	0.2
209.11833	0.4
219.06938	0.4
243.12315	0.7
248.23178	0.2
267.12329	0.2
283.12808	0.2
355.15799	0.5
369.17496	0.6
371.15366	0.6
392.34747	0.2
399.18515	1.3
417.19516	100.0
418.19879	10.8
418.25598	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08444	0.2
57.03442	1.1
58.30675	0.2
59.01155	0.2
59.01380	2.5
61.01814	0.2
61.98822	0.3
62.81119	0.2
65.57332	0.2
71.01374	2.1
71.52351	0.4
72.99303	0.3
73.02961	0.6
75.00871	0.9
79.95751	0.6
83.01402	0.6
85.02969	0.4
87.00894	0.4
88.98787	0.3
89.02448	0.6
93.03468	0.3
95.95224	0.5
96.95395	0.3
96.96012	5.6
98.95580	1.8
98.96484	0.3
99.00881	2.5
99.04511	0.4
101.02428	1.4
111.04516	0.3
111.62865	0.2
125.09705	0.2
129.01920	1.3
135.04539	0.6
137.02419	0.3
142.99872	0.4
143.03517	0.2
145.01451	0.3
155.03569	0.3
173.00905	3.3
173.04535	1.0
177.09225	0.2
183.10345	0.3
191.01988	2.2
193.05063	0.3
209.11830	0.6
227.12927	0.3
243.12347	0.7
355.15811	0.8
369.17419	0.7
371.15384	0.8
399.18362	1.2
417.19522	100.0
418.19830	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	417.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68530	12.7
59.01385	100.0
61.98837	63.4
70.42382	37.5
82.70295	13.8
102.94322	14.1
205.38477	13.1
267.72302	12.8
315.31503	14.4
335.22226	36.0
375.96414	13.0
417.22705	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68530	12.7
59.01385	100.0
61.98837	63.4
70.42382	37.5
82.70295	13.8
102.94322	14.1
205.38477	13.1
267.72302	12.8
315.31503	14.4
335.22226	36.0
375.96414	13.0
417.22705	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38916	2.4
59.01382	14.8
60.99304	14.7
61.98825	11.4
64.24198	2.4
71.52149	3.4
71.52550	3.5
81.03437	3.4
83.05017	11.0
88.98804	100.0
97.06578	2.7
119.05014	3.7
121.02934	9.4
135.04547	3.5
151.84024	2.5
163.03957	3.5
213.85114	2.4
343.81302	2.7
356.17371	2.4
417.08084	5.5
417.19980	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	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60726	0.3
59.01378	100.0
60.01700	0.8
61.98825	4.1
66.16024	0.4
70.82140	0.8
71.01372	0.8
72.99308	0.5
75.00880	0.7
96.96024	1.3
98.19958	0.3
98.95612	1.3
99.00919	0.4
101.02451	0.6
108.19246	0.3
108.71456	0.4
109.02955	0.7
119.05070	1.2
133.02982	1.1
135.04527	2.1
149.02423	0.5
161.02411	2.4
162.05801	0.4
173.04597	0.4
179.03458	1.9
181.05118	0.8
211.13382	0.4
329.27145	0.4
381.19519	1.3
417.18332	6.1
417.28561	2.0
418.19092	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18649	2.0
59.01371	6.4
60.99308	11.9
61.98829	100.0
69.96883	6.6
88.98804	73.4
103.86404	1.7
104.72528	1.7
127.94331	1.7
151.63750	1.8
161.02461	2.6
180.47664	1.8
214.60263	1.8
234.07487	2.0
319.30005	2.2
381.12900	2.2
417.22351	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	417.322
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
66.13480	0.8
71.00086	2.0
71.99341	0.8
74.64684	0.8
78.91542	0.8
87.02193	0.9
128.37413	0.8
177.77831	0.9
186.46887	0.8
251.97362	0.8
289.05402	1.1
417.21164	1.0
440.02582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70168	0.7
57.03451	1.3
59.01379	39.1
60.01709	1.9
61.98829	100.0
66.07547	0.7
69.49362	4.8
70.56557	0.6
71.01382	6.3
73.02953	2.9
83.01357	1.6
85.02958	3.1
89.53669	0.7
92.19920	0.7
96.95988	1.0
97.02955	1.0
101.02424	4.6
105.01928	2.4
111.00906	0.8
113.02484	2.1
113.49161	0.7
147.03270	0.8
161.04539	4.8
162.04918	2.1
171.10280	1.1
173.04607	0.9
191.05644	2.2
209.11870	2.4
227.12920	0.7
232.05119	0.6
232.64798	0.7
266.07059	3.3
269.10309	4.2
272.10559	0.8
281.09290	7.9
299.10455	2.8
311.11401	1.0
343.09229	0.8
358.15900	4.1
387.08377	1.2
400.59598	0.8
418.20392	1.3
419.10916	3.9
419.19241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87528	0.4
59.01377	13.3
60.01709	0.9
60.02419	0.3
61.98828	100.0
68.03262	0.3
71.01382	8.5
71.51165	0.5
72.00899	0.4
72.01727	1.2
72.99311	0.7
73.02946	1.9
75.00855	0.6
77.69741	0.4
81.71061	0.4
83.01366	0.5
84.55649	0.4
85.02951	2.5
87.00871	0.7
89.02441	5.1
90.02790	1.0
94.61149	0.4
95.01384	0.8
96.96017	1.1
99.00909	0.4
99.04522	0.7
101.02447	5.1
102.02769	1.0
113.02435	3.2
114.02801	0.7
115.00410	0.5
119.03483	2.5
131.03458	0.5
132.03020	0.6
135.04521	1.6
136.04025	0.4
159.02975	0.7
161.04549	2.8
173.04507	0.8
179.05563	1.0
179.10747	2.3
209.52621	0.4
283.18301	0.4
302.11804	0.8
417.17691	0.8
418.12836	1.0
418.17923	13.6
419.10806	1.0
419.18442	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	418.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.0
60.75534	0.3
61.98829	100.0
62.32125	0.4
88.98814	1.0
111.47012	0.3
121.39446	0.3
136.03841	0.3
148.42969	0.3
152.23035	0.4
197.64948	0.3
208.86404	0.3
355.24881	2.9
401.23062	0.4
418.22519	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28183	5.0
59.01372	46.6
61.98826	9.7
65.13393	4.7
71.01395	23.8
71.50639	6.8
73.02933	15.7
74.17275	4.6
75.00858	10.5
76.53442	5.4
83.01368	13.8
83.67665	4.6
87.00853	20.8
88.98808	16.1
89.02424	22.2
90.89376	4.5
101.02476	28.1
113.02412	14.8
119.03493	5.3
130.08778	5.6
143.03532	5.6
150.04211	7.2
151.57521	5.8
159.11545	5.0
161.04543	11.4
169.58066	4.7
257.04272	25.9
290.68231	5.2
323.09738	17.7
341.10867	41.4
342.11014	5.6
383.11920	100.0
384.12521	7.0
419.09509	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14164	1.8
57.03443	3.6
58.57827	1.8
59.01381	44.2
61.98855	2.0
69.03455	3.9
71.01379	46.0
72.99304	7.1
73.02953	8.7
75.00880	1.9
78.95896	2.4
81.03451	3.1
82.14128	1.8
83.01392	3.1
84.02162	2.2
85.02950	13.5
85.55186	1.6
86.04282	1.9
87.00856	4.3
88.98811	3.1
89.02444	3.6
91.99409	1.5
93.03459	50.4
94.03788	2.5
95.01391	3.2
95.05042	1.7
95.99357	2.0
96.95990	2.0
97.02350	3.6
97.02947	40.9
97.06584	2.7
98.20123	10.4
99.00850	2.8
99.04514	3.6
101.02460	9.6
105.01935	100.0
105.60990	1.7
109.02951	9.9
111.04523	3.3
113.02448	7.0
115.04017	67.5
122.28384	1.9
127.04016	10.3
128.03485	1.7
135.04512	3.1
137.02441	60.9
138.02789	2.2
139.04036	2.4
143.03481	2.6
147.03223	4.0
147.22128	2.0
148.04073	3.0
149.02487	1.6
150.00113	1.7
157.05048	3.6
161.04652	3.2
163.47871	1.7
166.19276	1.8
171.10269	58.4
172.10568	3.4
173.04492	3.2
175.06146	12.5
176.03499	3.5
191.05609	41.1
202.08720	2.2
209.11783	7.2
209.13705	2.3
215.11961	2.4
227.12869	3.7
228.05336	3.2
233.11752	4.4
237.06740	2.3
238.07315	2.3
239.12758	2.0
243.07695	4.1
251.12823	16.3
253.09892	2.5
255.11357	4.2
265.06253	2.8
266.06921	10.7
269.13989	12.5
279.07559	2.2
281.06558	22.6
281.09338	31.8
282.09766	2.6
287.15210	2.4
293.13986	2.4
299.10367	11.1
313.11618	2.3
316.59119	1.8
343.09500	3.2
343.72650	1.8
347.17175	2.1
359.20630	2.6
375.11713	3.6
387.08304	5.8
402.92255	1.8
419.10559	40.1
419.18854	33.2
420.10486	3.5
420.19571	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	3.0
58.00575	1.3
59.01122	1.4
59.01383	22.9
61.98838	10.8
63.45232	1.2
67.01891	1.3
67.24094	1.1
69.68311	6.4
71.01382	18.2
72.99297	4.8
73.02948	7.0
75.00871	3.3
81.03476	1.3
82.12627	1.5
83.01405	2.2
83.05022	3.5
85.02947	6.5
86.32601	1.2
87.00882	15.7
88.98801	2.7
89.02447	6.0
89.65161	1.1
93.03432	1.8
95.05017	1.4
96.96014	1.3
97.02972	7.1
99.00871	1.7
100.76119	1.2
101.02427	7.7
105.01935	44.3
107.05025	1.2
111.00885	2.2
111.04490	2.1
113.02454	3.0
115.00381	2.5
115.03999	19.5
119.03497	1.7
122.06097	2.6
125.06174	1.3
125.09692	2.1
127.03972	2.6
129.01900	5.4
129.63670	1.1
132.04572	2.7
135.04474	1.6
147.03049	5.8
148.03970	1.7
150.05588	2.9
155.08231	1.8
160.04002	4.7
161.02417	2.3
161.04660	1.5
171.10268	16.8
172.10608	1.7
173.04512	3.4
175.02414	2.2
175.06143	3.7
176.03601	1.4
179.03418	1.7
182.06110	2.5
191.01997	3.2
191.05646	7.9
192.06659	2.9
197.08549	1.5
198.05603	25.0
199.06140	1.5
199.08687	1.5
201.11359	5.8
204.02887	3.1
209.11833	25.8
210.09285	7.5
211.13348	1.5
212.10814	3.5
213.03062	3.9
213.07866	1.9
223.13464	1.6
225.06639	3.1
226.05101	10.8
227.06129	8.7
227.12805	9.6
228.05371	52.6
228.10217	3.5
228.12888	1.5
229.05634	1.9
233.11751	2.2
236.05661	6.2
238.07384	4.2
239.07990	1.5
241.07474	2.6
243.07751	39.5
244.08000	3.1
251.12874	3.0
253.09793	9.5
255.08949	4.5
255.11377	7.4
256.09781	20.7
257.11508	3.1
265.06119	3.4
266.07001	25.7
267.07367	3.5
269.13879	3.1
271.10806	10.7
281.09308	25.8
282.09848	1.8
291.05209	2.5
298.05981	2.2
299.10345	100.0
300.10794	9.5
338.10947	1.4
343.09387	16.6
375.11853	3.6
377.18198	1.5
387.08163	14.0
419.10638	9.8
419.19434	28.0
420.19693	3.8
423.87149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88879	0.5
55.01865	1.0
57.03436	2.1
58.00595	1.0
59.01378	43.7
61.98825	4.0
69.34695	4.1
71.01379	22.6
71.01779	0.8
72.01737	0.7
72.99297	2.9
73.02943	31.8
74.02474	0.6
75.00851	0.6
78.95900	2.1
83.01395	2.0
83.05032	0.8
85.02945	9.9
87.00879	5.2
88.98788	0.6
89.02443	18.9
95.01378	1.8
96.96004	7.2
96.96970	1.4
97.02981	0.5
99.00852	1.4
101.02444	16.0
108.02184	1.2
108.14551	0.5
109.02953	1.4
113.02454	8.5
114.93373	0.6
115.04009	1.6
118.05161	0.6
119.03500	8.5
121.02985	0.6
121.09106	0.5
123.04507	0.8
129.01929	1.4
131.03537	0.8
135.04526	5.9
135.16916	0.6
143.03450	0.6
147.02948	1.1
147.08185	0.9
151.11305	0.4
153.01869	0.8
160.03958	0.7
161.04564	1.8
163.03979	3.3
165.09135	1.0
173.04538	0.8
177.12828	0.8
179.03499	1.6
179.05562	0.7
183.10300	0.8
191.01991	0.9
192.06750	0.7
198.05586	0.8
207.02974	1.0
209.11784	1.3
221.06680	1.2
221.11877	1.0
225.04085	0.7
226.04993	0.6
227.06766	1.1
228.05412	2.6
235.11734	0.5
236.05582	1.1
239.12839	1.6
243.07816	1.6
247.08249	1.0
255.11455	0.7
256.09674	0.8
266.06909	1.1
269.08322	0.5
281.09317	1.5
284.73975	0.5
299.10321	4.4
322.80389	0.5
359.16904	1.0
363.16708	1.2
383.09888	0.7
387.08197	0.7
401.13058	0.6
401.18100	10.5
402.18604	0.8
406.69867	0.5
419.19223	100.0
420.19537	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	419.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04580	0.3
59.01358	0.3
69.46620	0.3
71.53349	0.5
78.95901	51.8
87.60077	0.4
96.96967	5.7
100.36707	0.3
142.38458	0.4
150.98010	1.9
152.99583	100.0
153.99918	1.2
166.58003	0.3
171.00661	3.4
219.76122	0.4
224.89961	0.3
246.57529	0.4
265.21768	1.1
419.21942	7.9
420.22415	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	45.8
61.98814	100.0
62.37918	30.6
66.66702	26.6
69.49133	24.9
70.66808	40.4
70.67147	48.3
75.10027	23.1
95.58134	26.9
97.58393	26.9
105.01884	41.7
130.44307	29.2
166.75531	27.5
224.50630	29.6
291.07031	28.6
293.57465	26.7
302.36896	29.6
365.85547	31.3
401.23303	33.7
419.24713	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2438
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03438	1.6
59.01375	6.1
61.98831	7.3
65.03976	5.4
70.58181	2.6
71.05032	1.0
78.95947	1.2
81.03474	1.3
83.05031	2.1
86.11360	0.9
91.05544	2.7
93.03443	1.0
97.06581	2.3
100.10867	0.9
105.07126	1.4
109.06581	2.2
115.05548	1.7
123.08174	2.8
125.09715	16.6
131.08714	1.0
133.10210	1.4
152.18857	1.0
153.09204	1.1
159.11824	1.3
162.29018	1.1
171.10262	1.3
185.09712	1.1
185.11861	1.9
187.14922	16.6
209.11810	2.7
213.12836	3.9
231.13890	31.7
232.14323	1.3
239.79878	0.9
240.50565	0.9
249.14925	8.4
250.12352	1.1
250.15221	1.0
327.64835	0.9
339.23251	2.0
353.00354	1.1
357.24475	1.9
373.24017	1.5
383.22256	4.9
384.22430	1.0
391.24869	2.9
401.23288	100.0
402.23651	12.1
419.24432	32.1
420.24731	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	420.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	5.2
59.01374	5.1
61.98829	100.0
70.94993	0.5
71.01388	0.9
72.99311	0.9
73.02959	0.3
76.71514	0.3
78.91906	0.6
78.95911	0.6
83.01375	0.3
85.02958	0.6
87.00859	0.3
93.03468	0.3
96.96001	0.3
99.04510	4.4
101.02428	1.5
113.02488	0.6
117.03428	0.3
124.56799	0.2
125.02458	1.1
125.09757	0.6
133.03000	0.7
135.04549	0.5
144.13493	0.2
145.02898	0.5
152.98358	0.3
161.02444	1.4
161.04549	0.3
167.07198	0.3
171.10300	0.6
175.04007	0.3
179.03557	0.4
197.04434	0.3
201.11322	4.1
202.11815	0.3
223.13492	1.1
229.10791	5.1
229.12872	0.5
230.11160	0.3
277.16565	1.5
303.16077	0.3
321.17120	0.9
339.18198	1.6
340.18509	0.5
357.19244	0.5
419.62070	0.5
420.21796	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77421	0.4
57.03429	0.5
58.02967	2.3
59.01378	1.7
60.01775	0.4
61.98827	100.0
69.07915	0.4
69.43439	1.8
69.43855	1.2
71.01380	0.6
72.00915	1.2
72.99319	0.5
73.04075	1.7
83.05037	0.5
91.05537	0.9
93.03452	0.6
98.02496	0.7
99.04543	0.6
106.94420	0.4
108.08160	0.7
109.06628	0.6
112.65083	0.4
115.05157	1.0
120.37736	0.4
120.99593	0.5
123.08191	0.6
123.27235	0.4
125.09731	1.1
129.10303	2.8
137.06117	1.0
141.10335	0.5
147.04530	4.5
148.04910	0.4
152.07126	2.3
154.48454	0.4
164.07161	9.4
165.07556	0.5
167.07127	6.9
168.11404	4.3
168.22057	0.4
171.10255	2.2
185.08194	1.1
186.12456	9.7
201.11320	6.4
210.12451	5.2
211.10905	0.6
213.11281	0.4
229.10889	0.8
233.16545	2.2
277.15598	1.4
290.18802	1.9
303.16068	0.8
321.17133	4.2
332.19894	1.2
339.18121	2.5
357.19165	6.1
358.19662	0.6
376.18762	25.2
377.19263	1.7
420.21466	4.8
421.21863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18669	0.3
56.09330	0.4
57.03446	0.6
59.01378	2.2
61.98829	100.0
69.34344	2.5
69.34761	0.8
71.01397	0.6
72.54147	0.3
72.99326	1.2
78.95908	0.7
93.03458	0.6
95.80762	0.4
96.91833	0.4
98.18440	0.4
98.19905	0.6
99.04508	0.8
120.56429	0.4
125.02404	0.5
135.04544	1.1
145.02864	0.4
161.02478	1.3
173.04529	0.5
179.03545	1.0
187.04001	0.4
191.05551	0.5
195.13866	0.6
201.11345	2.1
205.12338	0.6
209.04662	0.4
223.13391	3.6
229.10750	2.1
267.12238	0.5
269.07410	0.5
321.17157	0.6
339.14349	0.4
339.18234	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98827	100.0
68.19421	0.3
69.17980	2.5
72.99325	0.4
78.91866	0.3
98.19922	0.6
100.49042	0.3
102.48658	0.3
103.50747	0.3
137.24446	0.3
161.02437	0.6
243.30212	0.3
262.22842	0.3
276.40714	0.3
315.34464	0.3
357.26465	2.8
358.26773	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.6
61.98829	100.0
66.67207	0.2
69.72678	1.2
112.56013	0.2
147.74475	0.2
170.11555	0.2
327.25574	0.4
357.26404	5.1
358.26898	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35532	0.6
55.11274	0.6
55.45216	0.6
57.03443	5.4
57.38569	0.6
58.02978	2.0
59.01378	4.5
61.98829	1.0
69.32291	5.9
70.02974	8.8
71.01382	1.8
71.05012	10.5
73.02935	0.8
75.18974	0.6
84.69695	0.7
87.05647	5.3
99.04514	7.5
101.02426	2.3
112.29836	0.7
112.65657	0.7
115.05109	1.4
116.07180	3.2
125.02436	1.4
129.05600	1.4
130.03334	7.7
135.04514	1.1
146.08231	76.4
147.05954	3.5
147.08571	2.4
161.04550	0.9
179.07109	1.1
208.03767	0.9
217.11920	15.7
223.06105	3.5
259.11807	1.0
277.12256	100.0
278.12595	5.6
297.45782	0.7
319.13223	1.2
372.77069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76489	0.8
55.01891	0.9
57.03440	4.1
59.01377	19.0
61.98539	1.3
61.98827	19.3
64.38844	0.9
71.01017	1.1
71.01376	17.0
71.52400	1.1
72.71141	0.9
72.99311	11.0
73.02935	1.2
75.00871	23.5
78.91865	1.2
83.01369	1.6
85.02945	24.1
87.00880	8.9
87.04510	54.2
88.04861	1.7
89.02445	4.4
93.03457	1.8
95.01408	5.6
96.96011	1.8
97.06561	1.2
99.00879	12.6
99.04513	1.4
101.06075	92.8
102.06390	2.6
103.00346	2.6
109.02960	2.2
113.02447	33.0
115.00332	2.1
117.01942	5.4
129.01962	2.1
133.02936	3.0
134.03690	1.0
135.04507	6.5
137.02419	3.1
139.03944	0.9
145.03043	0.8
147.04475	2.8
149.02383	2.7
150.03177	1.2
151.03889	1.0
152.43204	0.8
157.01367	1.1
159.04504	1.8
161.02432	6.3
173.04582	1.5
175.02492	5.6
175.03784	1.0
177.01845	1.1
178.02837	1.1
179.03508	3.2
187.07640	1.7
191.05566	7.2
193.03465	1.9
201.05518	0.8
231.04764	1.1
249.06102	4.2
267.06668	1.7
283.13220	1.0
319.10397	2.9
333.11752	2.1
337.11230	2.2
339.05017	3.9
351.12845	6.8
361.15012	1.1
389.16116	1.7
403.15771	1.5
421.17035	100.0
422.17261	8.2
422.21741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58874	0.5
59.01380	100.0
60.01706	0.8
61.98832	10.1
64.86224	0.4
71.01380	4.3
71.52326	0.5
71.70928	0.4
72.99305	0.6
73.02970	0.9
83.01385	0.6
83.05072	0.5
85.02963	1.8
89.02438	3.2
101.02450	4.2
113.02462	2.0
118.98107	1.0
119.03528	1.0
120.99744	0.7
121.02962	0.8
135.04555	1.2
161.02478	0.7
161.04613	1.8
165.02003	1.0
209.11841	1.3
226.34692	0.4
227.13017	0.6
252.96184	0.4
301.16507	2.1
319.17609	10.1
320.17957	0.5
320.75656	0.5
332.56226	0.5
361.18661	12.1
362.19037	0.7
421.21030	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35339	0.8
61.98814	1.2
69.78663	4.4
78.95913	4.7
80.91669	3.3
80.96506	1.7
110.98544	6.0
111.36632	1.0
117.14883	0.9
120.52209	0.9
152.99576	1.7
163.11279	100.0
164.11591	3.7
185.02199	8.5
201.63933	0.8
204.31602	0.8
253.21617	2.5
290.96344	0.8
339.23264	76.5
340.23599	8.5
421.22931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.4
61.98824	97.2
63.78078	9.4
71.52147	13.8
78.95899	11.9
88.98800	100.0
89.02449	15.9
90.85234	10.3
110.18334	10.1
121.02936	17.9
233.11571	43.7
241.33194	9.6
259.98544	10.7
295.05984	20.3
323.05392	15.2
324.06546	11.2
403.25195	14.9
415.26492	10.2
421.13211	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	29.3
61.98830	84.0
71.52985	12.0
78.95883	22.4
83.23366	11.8
88.98806	100.0
89.02447	18.2
91.21024	10.5
97.02920	12.2
113.26685	11.1
121.02939	46.1
146.41977	10.8
152.99590	11.8
219.10112	15.9
222.32468	11.3
239.32419	10.3
262.11728	20.0
403.23975	23.4
421.27692	16.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	14.4
61.98824	97.2
63.78078	9.4
71.52147	13.8
78.95899	11.9
88.98800	100.0
89.02449	15.9
90.85234	10.3
110.18334	10.1
121.02936	17.9
233.11571	43.7
241.33194	9.6
259.98544	10.7
295.05984	20.3
323.05392	15.2
324.06546	11.2
403.25195	14.9
415.26492	10.2
421.13211	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2591
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
53.80604	1.1
59.01375	3.9
61.98828	10.1
66.96212	1.0
70.06837	4.8
70.07164	1.2
83.04984	1.3
88.98798	11.3
89.02426	1.7
97.06602	2.4
106.48045	1.3
121.02951	3.2
121.59962	1.2
122.03253	1.3
125.09724	15.3
152.99522	1.6
169.08658	1.3
171.10179	2.4
183.91130	1.1
185.11813	1.2
189.16478	3.1
207.09943	3.4
209.11736	2.7
211.13364	4.7
213.14943	1.7
215.14275	3.1
233.15440	70.5
234.15794	3.4
249.14981	3.0
251.16464	4.4
313.17676	2.4
315.14963	1.2
316.84183	1.2
331.26392	4.2
332.26807	1.5
375.25528	1.5
385.23727	5.2
393.26355	3.4
403.24847	100.0
404.25180	12.3
421.25925	26.0
422.26416	2.5
424.38275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2594
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
57.03440	0.6
59.01376	3.0
61.98816	1.8
65.03960	0.9
65.48937	0.5
69.42850	3.2
71.05000	0.7
78.83187	0.5
81.03428	0.7
83.05025	5.6
85.06576	1.4
93.82319	0.4
93.85255	0.4
95.05025	0.5
96.73161	0.5
97.06586	2.3
98.20711	1.1
105.07094	0.6
106.30099	0.5
109.06586	1.5
111.08150	2.3
119.05008	1.0
119.08699	0.5
123.08142	1.5
125.09733	7.6
135.08173	0.9
137.09689	1.4
153.09189	1.2
155.10902	0.5
157.18088	0.5
163.11357	0.8
167.10678	0.7
171.10263	18.2
172.10681	0.5
183.13840	0.9
185.11803	1.0
187.14908	1.0
189.13011	0.6
189.16467	1.3
197.13396	0.6
205.15944	3.2
209.11826	2.2
211.13373	4.6
213.14903	1.1
215.14363	2.0
219.10179	0.6
221.15460	2.7
231.13852	2.3
233.15457	25.1
234.15776	2.2
239.16620	0.7
249.14964	9.8
250.15230	0.6
251.16505	1.1
252.13731	0.8
255.15956	0.5
257.17609	1.7
283.19278	0.7
315.27109	0.6
323.23798	0.6
331.26398	2.2
341.24884	1.8
359.26056	1.6
367.22775	1.2
375.25220	1.2
377.26889	1.9
385.23840	4.3
393.26379	1.3
403.24869	48.5
404.25143	4.9
421.25931	100.0
422.26263	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	422.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41152	0.5
57.03443	0.8
59.01363	1.8
59.23382	0.5
61.98827	19.0
67.33194	0.5
69.87815	0.5
71.00169	1.0
72.99303	17.1
78.95903	0.9
83.97787	0.5
99.04497	0.8
109.02993	0.8
117.03477	0.5
123.04525	6.5
132.02141	0.8
133.02951	17.0
134.03351	0.8
135.04518	17.1
136.04919	0.8
147.97896	0.5
155.04875	0.6
161.02440	100.0
162.02751	5.2
179.03496	15.3
180.03786	0.5
197.04546	25.9
198.04890	1.0
201.35864	0.6
207.10297	1.1
225.11345	1.5
229.62032	0.5
359.07684	30.2
360.08105	2.6
363.59766	0.5
422.15875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13084	0.3
59.01377	0.5
61.98829	100.0
69.89045	1.6
103.95229	0.3
113.40786	0.3
113.82249	0.3
127.69235	0.3
161.02487	0.6
323.18011	0.4
441.98007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06748	0.5
59.01379	1.8
61.98828	100.0
70.33974	2.0
72.99313	1.2
75.10512	0.5
78.95908	4.1
80.09021	0.5
84.79146	0.5
94.98060	0.6
96.96008	10.4
96.96945	7.5
98.20564	0.6
113.92599	0.6
131.82959	0.5
133.02975	0.5
135.04559	1.0
161.02463	1.1
179.03500	1.2
203.86278	0.5
223.97461	0.5
325.20203	1.5
359.28177	2.4
363.15259	0.7
405.15738	0.6
445.69839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40916	1.0
59.01371	4.8
61.98833	46.0
62.95689	0.9
70.47372	3.5
71.01377	1.8
75.00864	1.8
78.66873	1.0
78.95904	44.1
79.33253	0.9
79.95739	3.8
86.10209	1.0
88.11831	1.0
89.02452	2.1
90.97104	0.9
96.96015	100.0
96.96967	78.6
97.93118	3.2
113.92645	3.4
114.90183	2.9
114.93405	2.8
119.05023	1.1
125.09732	3.3
133.02930	1.4
135.04517	5.3
161.02443	4.6
171.10349	1.8
179.03491	3.4
201.11346	4.2
213.11295	3.9
257.06882	1.0
271.05002	2.4
289.18097	1.4
299.07971	1.5
307.19150	2.1
325.20261	9.7
333.13831	1.4
339.94104	1.2
354.09912	1.3
357.51172	1.1
363.14810	5.8
405.16339	1.4
408.06628	1.0
439.68408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70706	0.8
53.21159	0.8
55.01875	1.0
57.03445	100.0
58.03778	1.6
59.01377	79.2
59.50868	0.9
61.98831	5.2
69.28139	1.6
69.28542	4.6
70.56599	1.0
71.01376	14.2
72.99317	2.2
73.02941	5.9
81.03493	0.9
83.01385	3.7
85.02940	6.8
89.02439	1.2
99.00888	3.0
99.04514	77.1
100.04871	2.3
101.02437	31.8
113.02449	5.4
114.04113	0.8
116.64559	0.8
119.67818	0.8
125.02438	21.9
126.02746	0.8
133.02966	1.5
135.04517	2.4
143.03497	2.3
159.02957	1.2
160.19124	1.0
161.02443	4.4
161.04527	4.4
162.02737	5.1
197.04582	1.1
198.05038	1.1
215.00069	2.1
258.99023	1.9
279.14471	24.9
280.14865	1.7
321.15430	2.1
360.07898	2.4
423.18686	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.03779	1.4
59.01377	97.1
61.98826	2.6
69.69342	7.0
71.01376	25.0
72.99299	2.6
73.02944	8.1
76.57843	1.2
78.95919	1.6
81.03465	1.9
83.01373	5.1
85.02942	10.3
87.00854	1.7
88.98794	2.7
89.02432	9.1
93.03484	1.5
95.01432	1.9
99.00865	3.3
99.04515	86.3
99.36284	1.1
100.04874	2.1
101.02435	39.4
113.02451	9.8
119.03474	3.2
123.04536	1.2
125.02448	32.8
133.03038	1.2
135.04530	2.4
137.02454	1.5
143.03496	4.1
152.99608	1.1
159.02928	2.8
161.02402	3.8
161.04552	12.2
173.04466	1.8
179.03400	2.1
187.70602	1.0
261.13455	2.2
279.14453	48.8
280.14767	2.7
321.15491	11.9
361.18643	1.6
423.18655	15.7
424.18158	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69005	1.0
55.01870	2.1
57.03445	90.2
58.03803	1.1
58.50919	1.0
59.01376	100.0
61.98824	6.8
64.11579	1.1
70.47601	1.8
70.47983	2.9
71.01375	16.9
72.99270	1.5
73.02940	23.9
75.00870	1.1
76.64061	1.0
81.03458	1.3
83.01382	4.8
85.02940	8.6
87.00844	1.3
89.02451	3.8
96.95943	1.6
97.02948	1.2
99.00866	3.8
99.04515	78.5
101.02437	36.5
111.08084	1.2
113.02451	8.4
118.98065	1.1
119.03481	1.8
121.06600	1.2
123.04484	1.6
125.02444	25.3
125.09769	1.4
131.81676	1.0
135.04536	2.4
135.17032	0.9
143.03519	2.4
146.08173	4.6
149.02415	2.4
150.48581	1.1
159.03015	1.6
161.02435	2.4
161.04521	4.2
161.05907	1.3
164.04774	2.5
181.12366	1.2
187.09683	6.3
199.13327	2.2
201.11264	9.2
208.03735	2.2
219.10396	1.8
219.30969	1.0
223.06090	8.8
237.09827	1.7
243.12276	3.1
261.13425	20.4
267.68765	1.1
271.53375	0.9
279.11664	2.8
279.14499	21.9
303.14304	1.8
308.08484	1.2
321.15463	5.8
333.15237	1.5
361.18652	1.7
363.16525	4.8
387.16403	1.5
423.18668	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82887	1.5
59.01378	2.2
61.98830	26.0
68.44315	1.5
71.01357	2.5
72.99299	1.9
91.57460	1.8
96.96011	7.1
96.96943	3.4
98.95583	3.5
99.92581	100.0
100.92642	4.0
100.93373	6.2
115.92072	90.1
116.92131	5.1
116.92860	83.0
117.92881	2.3
130.40179	1.6
133.02948	3.0
135.04533	1.6
150.08212	1.6
161.02390	3.1
177.05353	1.7
178.02620	2.6
201.11293	2.7
253.01537	2.0
276.04510	2.5
292.04205	2.6
301.64484	1.8
302.05585	4.1
325.20166	4.3
330.92834	1.6
338.04688	1.9
353.79575	1.6
369.64078	1.9
375.09210	2.1
385.07343	5.5
389.10727	16.5
390.10989	2.9
393.10153	2.5
403.08536	25.8
404.08759	3.4
407.11768	15.4
408.12094	3.1
425.12689	12.1
434.97656	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	425.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.9
59.01378	22.7
60.85180	0.9
61.98817	3.3
70.64559	1.5
70.64898	1.7
71.01379	7.5
72.00501	1.1
72.00907	21.9
72.99315	0.9
73.02963	4.0
83.01392	1.1
85.02969	3.0
89.02444	3.7
95.05051	0.9
96.95999	0.9
98.51205	0.8
100.00404	78.5
100.04050	7.1
101.02445	5.5
108.02162	0.8
109.06576	3.9
112.87328	0.8
113.02460	3.1
117.92728	0.9
119.03512	0.9
121.02935	1.0
123.08167	1.9
133.02995	1.3
135.04535	3.7
136.05324	1.0
143.82582	0.9
144.03018	100.0
145.03311	2.3
149.06126	1.0
151.07643	13.1
161.02477	1.4
161.04474	1.3
161.09702	3.7
163.07652	6.4
166.60880	0.8
170.99107	1.0
173.04562	1.0
177.01921	5.1
179.03403	1.1
179.10748	3.5
188.08427	3.4
192.04237	1.1
193.25700	1.0
203.10767	20.4
203.12665	1.3
207.06573	6.7
221.11810	17.9
365.18121	4.0
425.14511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18937	0.8
55.34029	0.9
57.03436	1.9
58.00587	1.3
59.01378	100.0
60.01724	1.3
61.98827	4.4
66.84485	0.8
69.03448	1.6
69.26758	7.9
71.01379	36.6
72.99303	1.4
73.02941	53.9
74.03249	1.0
82.86524	0.9
83.01382	16.0
85.02959	4.7
87.00869	1.2
88.98801	3.6
89.02439	7.6
93.03490	1.6
95.01370	1.9
96.95999	0.9
97.02953	1.3
101.02441	45.1
102.79285	1.0
107.05016	3.2
113.02444	18.1
119.03521	2.5
121.06612	2.0
125.02470	1.7
131.03477	3.4
133.06601	4.7
134.03871	0.8
135.04514	3.2
142.76828	0.8
143.03484	3.6
146.02423	2.0
149.04530	3.1
151.07652	12.2
155.03481	1.2
156.35306	0.9
157.92972	1.0
159.08034	1.1
160.90858	0.9
161.02429	1.5
161.04564	6.3
161.57851	0.8
163.07655	1.4
176.02298	1.9
177.03055	2.2
185.09686	0.9
203.05525	1.5
203.10747	10.0
204.11050	1.0
221.11824	1.4
356.89984	0.9
381.09229	3.1
447.70306	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93457	1.0
57.03439	4.2
59.01375	12.1
61.98830	4.3
69.16324	1.4
69.59948	6.0
71.01380	10.0
73.02946	2.8
75.00884	1.5
75.33347	1.0
77.30781	0.9
83.01377	2.3
83.05022	2.8
85.02935	5.3
88.98802	1.8
92.88934	1.1
93.03447	3.0
93.07103	1.2
95.05030	1.9
95.07217	1.0
97.02954	7.3
97.06602	1.7
98.19930	1.9
101.02444	4.7
105.07106	2.7
107.05027	3.9
108.05785	7.3
109.02953	4.4
109.06583	2.1
111.04520	9.4
111.08134	1.6
113.02463	7.7
113.06085	9.3
119.05022	20.4
119.08629	3.0
121.06596	3.8
122.03736	6.0
123.08170	6.8
125.06083	17.5
133.06621	1.4
135.04524	2.7
135.08157	2.3
136.05258	7.8
137.02432	3.3
137.06097	4.7
138.06871	8.7
139.07654	26.2
145.06590	2.1
148.05264	3.8
149.06067	3.9
151.03975	2.0
151.07640	59.4
152.04750	5.8
152.08440	25.8
153.05502	1.5
153.09204	9.1
159.11823	1.5
161.02429	1.1
161.09735	5.4
163.04004	18.0
163.07607	8.9
165.09222	1.2
166.06537	1.3
167.07072	3.4
175.07524	1.0
186.10416	1.2
188.08505	2.2
189.05566	3.3
189.09184	4.3
201.11174	2.2
201.12848	20.9
202.13136	1.7
203.10751	14.6
204.11534	32.3
205.11931	2.5
209.11819	2.4
219.13890	53.5
220.14236	3.7
221.11668	1.1
227.10736	2.1
227.12825	2.6
228.11542	2.7
230.09381	1.3
243.13882	6.6
245.11790	14.2
245.14029	2.1
263.12848	100.0
264.13113	7.3
287.12912	10.4
288.13098	1.3
305.01636	1.3
305.13962	7.9
337.44623	1.1
374.72852	1.0
407.11432	1.7
418.01514	1.1
425.12476	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	426.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18718	0.7
55.01883	1.1
57.03448	73.7
58.02960	0.8
58.47881	0.9
59.01379	100.0
59.14014	0.8
61.98827	7.5
64.25909	0.8
71.01379	18.1
72.99295	2.0
73.02953	8.0
74.02464	0.8
78.95917	1.9
79.96844	0.7
81.03435	1.3
83.01383	3.0
84.04552	6.8
84.71240	0.7
85.02949	9.7
87.00880	1.3
89.02438	3.9
93.03436	1.9
95.01398	1.4
96.96013	2.5
99.00871	2.7
99.04520	63.5
100.07677	1.4
101.02443	31.5
101.03112	1.7
102.05606	51.3
108.04562	1.0
109.02930	0.9
109.06605	1.2
113.02452	9.8
115.03996	2.8
119.03528	1.5
121.06592	0.9
125.02448	19.8
125.06086	1.3
128.03539	76.8
129.01932	1.2
129.03874	1.5
135.04526	2.8
137.09662	0.8
140.11398	0.8
141.93697	0.8
143.03456	1.4
146.04591	41.1
149.09723	14.0
151.11284	1.9
152.99548	1.9
159.02925	1.5
161.02490	2.0
161.04572	6.6
165.09171	5.2
167.10765	7.7
170.05809	1.0
173.04550	2.6
175.07658	1.1
177.09117	1.3
181.05077	1.6
181.12288	1.4
185.41066	0.8
193.08691	23.2
195.10408	1.8
200.65564	0.8
205.12300	1.7
210.11470	1.0
211.09755	20.1
212.10039	1.2
217.16022	0.9
218.57887	0.8
226.07031	1.0
234.15004	1.7
235.17123	1.3
244.08231	2.3
278.14120	1.3
279.15976	3.1
280.15622	1.7
283.11862	18.5
296.14893	4.4
297.17261	4.4
312.79538	0.9
325.12811	1.3
340.13937	17.4
341.14294	1.3
365.16324	1.0
388.89618	0.9
402.57721	0.8
408.20386	8.3
426.21329	79.2
427.15839	3.9
427.21616	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	426.2133
Annotation	Lasiocarpine N-oxide
Peak:m/z	Relative Intensity
59.01372	9.2
61.98833	25.8
69.03448	4.6
69.97485	7.1
69.97825	1.8
71.01382	2.7
72.55455	1.6
72.99313	2.8
78.95893	17.1
79.95743	1.7
84.04539	3.2
94.98079	1.9
96.96019	27.7
96.96953	29.1
100.07693	5.5
102.04932	3.5
102.05607	56.1
107.69602	1.7
112.04042	7.8
113.02424	3.4
115.04012	14.7
115.92070	2.6
116.92878	5.1
128.03535	100.0
129.03862	2.1
134.50824	1.7
145.91898	1.7
146.04602	27.1
161.02489	5.2
165.12846	8.1
168.66830	1.9
176.52773	1.7
178.09984	1.7
181.12309	3.2
200.09288	7.4
215.52374	2.1
226.07236	3.5
235.17079	2.3
244.08237	38.6
245.08698	2.0
265.07593	2.0
267.09116	4.8
279.15930	12.3
280.16431	2.1
297.17096	5.8
329.23288	6.1
339.86115	1.8
364.85822	1.8
390.16760	2.5
426.21304	79.6
427.21326	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	427.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
61.98832	14.6
67.54314	1.3
70.99531	3.2
78.95898	1.7
81.59141	1.6
96.96000	6.5
98.95592	4.0
99.92586	40.2
100.92611	2.8
100.93340	4.2
113.87408	1.3
115.92077	63.3
116.92114	3.5
116.92854	55.1
117.92838	2.1
123.08147	1.4
125.09706	1.7
129.66882	1.6
133.02956	28.9
149.02415	5.3
150.03191	2.6
158.48143	1.3
161.02437	100.0
162.02740	4.7
167.42944	1.3
171.10228	1.4
249.87630	1.8
263.00314	1.5
291.20023	1.6
302.05466	2.5
309.20572	4.8
315.10162	1.3
327.21713	2.6
373.11145	2.1
387.08871	2.2
391.12195	26.4
392.12219	3.5
395.11493	2.4
405.10257	7.5
409.13187	19.7
410.13260	3.3
423.11005	3.4
427.14301	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	427.142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
59.01623	0.6
59.92911	0.6
61.98830	7.9
71.01389	1.3
71.52068	0.8
72.99328	0.8
76.90088	0.6
78.95902	1.5
85.02947	0.7
85.50854	0.7
89.02448	0.7
96.96020	2.4
96.96960	2.5
98.95580	1.4
98.97458	0.6
99.04517	1.6
99.92581	58.4
100.90495	1.1
100.92621	2.3
100.93369	5.5
108.12946	0.6
115.92074	82.3
116.92134	4.9
116.92854	100.0
117.92878	4.6
123.84600	0.6
128.03558	1.6
132.92412	0.9
135.04546	1.7
136.61868	0.6
149.02475	0.7
151.07634	0.7
161.02438	1.4
171.10378	0.8
173.04489	0.7
179.03461	0.9
192.95964	0.6
195.34041	0.7
198.00043	0.7
203.14452	1.2
211.13441	0.6
221.15474	2.2
231.82973	0.6
239.07227	0.7
263.03662	0.7
265.14368	6.1
287.02386	1.1
293.04871	10.0
294.05270	1.3
310.05124	1.1
311.05975	1.5
320.79895	0.7
322.05106	7.9
323.05603	0.9
327.21838	2.0
373.11102	13.1
374.11554	2.0
387.08942	1.4
391.12198	19.0
392.12451	2.7
405.10074	4.2
409.13211	4.5
427.14319	25.0
428.14520	3.5
428.22772	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	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.1
57.03446	35.6
58.00596	0.7
59.01376	100.0
60.01711	1.4
61.98832	1.3
66.73595	0.7
69.03463	0.8
69.18736	3.2
69.19161	2.5
71.01379	25.9
72.99301	1.6
73.02941	26.7
79.16045	0.6
81.03445	0.8
83.01385	8.2
85.02951	6.8
87.00876	4.8
87.49007	0.5
89.02444	9.2
95.01400	1.6
96.96026	3.2
97.02961	1.2
98.20692	1.3
99.00878	1.6
99.04514	29.6
101.02436	32.7
105.76634	0.7
113.02446	9.7
119.03519	4.7
125.02434	11.2
131.03526	0.9
143.03516	2.8
149.04599	1.6
155.03542	0.7
161.04561	9.5
161.09753	2.3
175.07686	1.1
176.08417	1.6
179.05670	2.3
187.11270	11.4
187.12842	0.6
188.11678	0.9
190.10037	2.7
204.11584	2.2
205.12314	15.9
215.10820	1.3
218.97096	0.7
223.13419	0.7
233.11824	8.3
259.13318	3.3
277.14453	3.4
283.11810	9.0
325.13181	0.8
427.15552	2.0
427.20517	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	427.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26707	0.5
55.01880	0.8
57.03448	35.1
58.00599	1.4
59.01379	100.0
60.01722	1.0
61.98832	1.2
69.18468	5.9
71.01381	23.7
72.99300	1.6
73.02947	26.3
81.03447	1.1
83.01389	9.5
85.02942	6.4
87.00871	3.9
87.04523	0.8
89.02443	10.6
95.01418	1.6
96.95996	3.0
98.19913	1.1
99.00904	1.6
99.04519	30.2
100.04859	0.9
101.02441	35.6
101.89666	0.6
102.02804	0.8
111.04562	0.7
113.02448	10.0
119.03484	4.6
121.06616	1.0
125.02448	9.6
131.03555	1.3
135.04608	0.7
143.03513	2.6
149.04597	2.1
159.03052	1.0
161.04544	7.9
161.09747	2.2
176.08488	1.4
179.05603	1.6
187.11261	10.7
190.10057	2.9
194.91641	0.6
203.05859	0.7
203.10864	1.5
204.11658	1.5
205.12331	15.4
215.10852	1.6
224.76854	0.7
233.11792	8.2
259.13370	3.5
277.14465	4.0
283.11853	7.1
427.15155	1.3
427.20328	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	427.1606
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
57.03447	93.5
58.03772	1.1
59.01378	100.0
60.91362	0.7
62.45685	0.7
71.01377	21.0
71.52382	0.9
73.02951	8.0
81.03478	1.2
81.81178	0.7
83.01386	4.3
85.02946	9.4
89.02448	4.2
95.01404	1.6
97.02955	1.2
99.00877	2.3
99.04515	69.5
100.04887	2.1
101.02438	29.5
108.21160	0.7
111.00893	1.0
113.02445	10.4
119.03502	1.3
125.02443	18.6
128.03572	2.1
129.02065	0.7
143.03535	3.2
146.04584	1.2
159.03035	1.1
161.02458	0.7
161.04538	7.4
168.09129	0.7
184.73357	0.9
187.11250	0.7
205.12312	1.4
283.11874	20.1
325.13052	2.7
365.15875	0.9
427.16156	3.8
427.22079	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.7
55.84264	0.5
57.03447	1.5
58.00581	0.6
59.01378	100.0
60.01729	0.7
61.98813	1.4
69.03474	1.2
69.13885	2.8
69.14317	2.4
71.01379	23.1
72.99322	1.3
73.02946	19.6
75.62692	0.6
83.01379	6.3
83.05053	0.9
85.02938	5.7
87.00887	1.1
89.02444	5.8
95.01408	1.9
95.05044	1.2
96.96007	1.1
97.02937	3.1
98.19907	1.0
101.02436	14.6
105.07101	0.8
108.05830	2.0
109.02962	0.7
109.06583	1.1
111.04502	0.7
113.02447	10.2
113.06129	1.4
119.03519	1.4
121.06602	0.5
122.03704	0.6
123.04534	2.1
123.08169	2.0
124.49264	0.6
125.02468	0.8
125.06137	1.4
131.03555	1.0
135.04462	0.7
136.05295	1.4
137.06070	0.9
138.06865	11.0
139.07686	4.0
143.03546	1.4
149.04576	1.2
151.07649	11.1
152.04791	1.6
152.08426	20.0
153.05698	2.5
153.09209	59.2
154.09543	2.7
159.03023	0.5
161.04570	5.9
161.09805	0.7
163.11302	1.1
165.09227	2.3
173.04570	0.9
187.11270	2.2
189.09224	0.8
190.10019	1.4
203.05591	1.2
205.12325	24.3
206.12640	1.6
223.13364	9.4
233.11763	0.7
318.54483	0.7
367.17575	6.8
368.17902	0.8
385.18680	4.4
427.14377	2.1
427.20059	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	427.1969
Annotation	Carolenalin 4-O-beta-D-glucoside
Peak:m/z	Relative Intensity
52.46373	0.4
55.01874	0.9
57.03431	0.6
59.01375	100.0
60.01705	1.1
65.82971	0.4
69.44535	2.7
71.01379	13.0
72.99300	0.5
73.02946	6.4
83.01395	1.9
83.64941	0.4
85.02944	5.4
89.02426	3.3
89.54168	0.4
95.01403	1.3
95.05049	0.6
97.02960	1.3
98.20700	0.9
99.00918	0.6
101.02435	6.2
108.05833	0.5
109.06628	0.6
113.02444	9.9
113.06131	0.6
119.03532	0.8
122.03739	0.5
123.08180	1.2
125.02415	0.5
125.06068	1.0
131.03481	0.4
136.05298	1.3
138.06870	5.8
139.07684	2.2
143.03500	0.9
151.07643	4.3
152.04845	0.7
152.08424	17.7
153.09206	33.5
154.09601	1.4
161.04536	3.2
163.11299	1.1
165.09210	1.5
167.07086	0.5
181.12347	0.8
190.09985	0.7
203.05658	0.4
205.12311	15.6
206.12689	1.1
223.13376	5.2
232.13120	0.4
282.29791	0.4
367.17557	15.9
368.18100	1.7
385.18463	2.5
427.14380	0.6
427.19830	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	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.4
57.03447	29.5
58.00592	1.2
59.01377	100.0
60.01722	0.8
60.05320	0.4
61.98841	0.6
63.41318	0.4
69.03463	1.0
69.54263	2.9
71.01380	28.7
72.99316	1.3
73.02944	30.0
74.03304	0.6
81.03465	0.9
83.01386	9.9
85.02943	6.6
86.41881	0.4
87.00874	4.1
87.04529	0.5
89.02445	12.2
95.01392	1.6
96.96027	1.0
97.02972	1.2
98.19887	0.7
99.00890	1.8
99.04520	23.9
101.02444	34.3
102.02800	0.7
107.30453	0.5
111.00883	0.6
113.02450	10.6
115.39639	0.4
119.03496	5.5
123.04541	1.9
125.02446	8.4
131.03517	1.9
135.04559	0.7
137.09761	0.6
143.03499	2.5
146.96054	0.4
149.04588	2.0
155.03554	0.8
157.57617	0.5
161.04562	8.7
161.09737	2.3
175.07668	1.1
175.11244	0.8
176.08427	1.5
177.12941	0.7
179.05579	2.4
187.11285	12.7
188.11603	1.3
189.09251	1.4
190.10014	3.4
199.49017	0.5
203.05597	0.6
203.10765	0.9
204.11469	2.4
205.12328	16.1
206.12709	0.9
215.10799	1.7
223.13377	0.6
233.11836	9.3
234.12393	0.6
247.13345	0.5
259.13400	4.0
264.89395	0.5
277.14474	4.1
278.14911	0.6
283.11908	4.7
427.15393	1.0
427.20248	1.3
453.21744	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1969
Annotation	Mukaadial 6-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.72802	0.4
55.01876	1.1
55.76648	0.4
57.03442	1.4
58.00588	1.1
59.01378	100.0
60.01719	1.2
61.90014	0.4
69.03458	1.3
69.38272	0.9
69.38676	3.5
71.01382	31.2
72.99310	1.2
73.02946	43.2
75.00880	0.7
78.88423	0.4
78.95396	0.4
81.25524	0.4
83.01391	10.7
85.02955	5.5
87.00904	1.3
89.02440	12.1
95.01402	2.0
97.02952	1.2
98.20624	0.9
99.00935	0.9
101.02444	38.7
102.02798	0.8
113.02447	13.4
114.02798	0.7
119.03512	4.9
123.08178	2.3
125.02447	1.3
131.03508	3.5
132.86499	0.4
133.06541	0.5
135.08150	0.7
142.73082	0.5
143.03484	3.8
147.08167	1.1
149.04544	3.4
153.09210	8.6
155.03531	1.2
159.28871	0.5
161.04552	10.7
161.09743	0.5
162.04927	0.5
165.09230	0.6
174.10909	0.5
177.12914	0.5
179.05569	2.2
187.11314	1.7
190.10001	0.6
203.05664	1.1
205.12306	11.7
205.14082	0.7
206.12712	1.2
221.06781	0.9
223.13445	2.0
312.01120	0.5
367.17563	4.7
385.18658	6.2
427.19580	4.3
428.20209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14785	0.4
55.01869	1.0
57.03445	12.9
58.00597	1.0
59.01378	100.0
60.01729	0.7
61.98840	0.5
69.03468	0.9
69.89688	1.6
71.01379	29.7
72.01701	0.5
72.99315	1.5
73.02945	36.2
74.03292	0.5
75.00865	0.6
77.25990	0.4
81.03499	0.6
83.01382	10.3
85.02950	6.8
87.00868	3.9
88.04119	0.7
89.02444	11.4
95.01397	1.4
95.05006	0.5
97.02956	0.7
99.00885	1.1
99.04520	9.9
101.02438	33.4
102.02785	0.6
111.04556	0.5
113.02449	11.3
115.04089	0.5
119.03513	5.2
125.02475	3.0
129.01936	0.7
131.03500	2.0
135.04523	1.0
137.09770	0.6
143.03517	2.7
149.04596	2.2
149.05821	0.5
149.09761	0.6
159.03072	0.6
161.04564	7.8
161.09698	2.6
163.11363	0.6
173.04611	0.4
175.07693	1.6
176.08449	2.0
177.09114	0.6
179.03386	0.5
179.05614	2.0
187.11278	14.1
188.11563	0.6
189.09262	1.2
189.12901	0.8
190.09970	3.4
203.05618	0.9
203.10822	1.4
204.11497	3.6
205.12323	19.5
206.12680	0.7
215.10733	2.2
233.11809	10.4
247.13394	0.6
259.13452	4.4
277.14417	4.6
283.11853	2.0
349.16632	0.6
427.15234	0.6
427.20438	1.0
428.19501	0.6
445.52878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66061	0.6
52.78118	0.6
59.01378	100.0
60.01725	0.9
69.18803	1.5
69.19202	5.8
75.56432	0.7
78.95889	0.6
130.52052	0.6
267.15100	0.6
293.21188	5.1
367.25070	1.0
451.05499	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01732	0.8
61.98822	0.9
70.53442	1.4
77.69734	0.5
78.46748	0.5
81.02947	0.6
89.08707	0.5
113.09724	0.6
121.14437	0.5
128.86345	0.5
162.93275	0.5
275.08508	0.6
293.21155	6.4
294.21774	0.7
333.22238	0.5
361.61334	0.6
362.65961	0.5
370.85089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86357	0.7
57.03448	16.0
59.01377	13.8
61.98829	100.0
69.56646	4.0
71.01395	1.7
73.02945	0.8
76.36203	0.6
85.02935	0.7
85.83327	0.6
87.00883	0.8
99.04515	16.2
101.02442	6.0
113.02457	1.7
125.02434	4.5
143.03551	1.1
179.13414	0.6
220.92319	0.7
221.10283	6.2
263.11502	2.4
303.14590	1.1
365.14459	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	428.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54970	0.9
57.03445	17.6
59.01376	14.2
61.98828	100.0
64.83729	0.8
69.56495	4.4
69.56899	1.5
71.01376	2.6
84.49247	0.8
99.04509	15.9
100.56478	0.8
101.02451	5.9
125.02425	5.7
138.54680	0.8
143.03511	1.5
162.23529	0.9
212.69702	0.8
221.10239	6.9
263.11435	1.6
325.49704	1.0
365.14487	12.0
420.85760	0.8
448.62357	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	17.3
59.01380	20.0
60.01707	0.6
61.98829	100.0
70.41670	0.5
71.01369	3.3
71.51572	0.5
72.99328	0.7
73.02948	1.8
78.71790	0.5
79.95746	0.9
83.01405	0.8
84.81181	0.6
85.02977	1.8
87.00866	1.3
88.04035	1.0
88.98824	0.7
89.02421	0.7
91.37399	0.5
93.03490	1.1
96.96029	2.0
99.04517	17.8
101.02443	6.7
103.90877	0.5
109.02988	0.6
109.40874	0.6
113.02443	1.2
118.76547	0.6
123.04516	2.9
125.02451	5.1
135.04530	1.0
135.96361	0.6
149.02478	0.8
161.02448	0.7
161.04550	1.2
164.04730	0.7
173.04616	1.8
204.08853	2.1
221.10287	5.1
224.06448	0.9
225.07768	0.7
263.11417	2.3
292.52771	0.5
303.14648	1.6
315.07361	0.7
365.14417	10.1
365.18457	0.9
366.15036	0.6
428.14563	6.7
429.14682	1.7
429.23624	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	33.5
59.01377	100.0
61.98816	1.5
69.93661	5.1
71.01381	36.9
72.99323	3.1
73.02944	31.4
75.00904	1.1
79.05508	1.1
81.03457	1.5
83.01373	8.6
85.02956	6.5
87.00886	2.6
88.04044	1.4
89.02439	29.5
93.03495	1.2
95.01389	3.6
98.19988	1.7
98.20531	1.8
99.00864	1.5
99.04512	14.6
101.02436	40.2
108.02174	3.3
109.02950	2.5
109.06540	1.3
113.02446	20.1
113.06090	1.5
118.53641	1.0
119.03493	11.6
123.04520	22.5
125.02412	5.3
131.03510	3.1
141.05511	2.5
143.03470	4.8
149.04570	4.2
152.01181	3.9
153.01956	1.5
153.05577	23.1
161.04544	29.7
179.05618	19.2
193.85239	1.3
203.05605	2.1
221.06590	2.8
225.15025	1.7
233.06711	2.0
263.07690	10.0
285.09833	12.8
309.69781	1.1
315.10962	3.8
323.09787	24.8
327.10864	4.1
369.19241	3.0
387.20319	5.7
429.14484	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	429.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47564	1.0
59.01373	7.2
61.98833	22.9
66.07457	0.9
71.01360	1.4
71.52200	1.2
72.99282	1.0
73.33294	0.9
78.95896	2.2
93.03448	1.7
96.96009	2.4
96.96958	2.4
98.95560	2.5
99.92579	63.4
100.90337	1.1
100.92565	2.9
100.93349	5.0
105.32565	0.9
113.52681	0.9
114.41619	1.0
115.92075	100.0
116.92860	93.9
117.92846	3.8
125.09694	1.1
135.04483	3.0
137.02530	1.0
139.11328	1.2
148.37337	1.0
157.96074	1.0
161.02443	1.2
171.10173	2.4
173.04512	2.6
173.05975	1.4
179.03496	2.7
187.07683	1.4
263.03476	1.0
287.02155	1.0
293.04916	9.7
293.20941	1.1
294.05063	1.1
307.32465	1.0
329.23264	4.1
375.08102	1.5
375.12665	17.6
376.12860	2.6
389.10358	1.4
393.13715	35.3
394.14380	5.7
407.11707	12.0
411.14749	5.1
429.15735	33.4
430.16122	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	429.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.2
59.01109	0.3
59.01381	4.1
61.98816	0.4
71.01382	0.9
71.05032	0.2
72.99297	0.5
73.02948	0.8
75.00858	0.3
79.95741	2.3
80.96515	0.5
83.01381	0.2
87.00868	0.3
89.02489	0.3
95.95250	0.7
96.96011	38.7
101.02441	0.5
105.01953	0.7
109.02936	0.2
113.02424	0.3
119.04996	0.3
125.09711	0.3
127.11243	0.2
130.08618	0.2
135.04524	0.7
137.02510	0.2
151.04091	0.2
161.02400	0.5
163.04037	0.4
167.98840	0.3
179.03357	0.3
181.05075	0.3
181.12335	1.6
183.01225	0.4
201.11273	0.4
207.10190	0.2
223.13385	0.8
225.11302	2.1
225.14822	0.3
226.96838	0.2
227.03467	0.4
249.11145	0.2
255.02997	0.4
259.53714	0.2
267.12402	1.3
273.96906	0.2
284.03372	0.3
285.03882	0.2
289.18201	0.3
297.20383	0.2
301.18109	0.9
319.19330	0.3
341.19589	0.3
349.20142	0.3
352.86893	0.2
369.15463	0.5
383.15329	0.4
397.10364	0.3
408.95782	0.2
429.15857	100.0
430.16174	10.9
430.28522	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93782	0.5
57.03432	1.9
59.01377	43.4
61.98831	0.7
62.05251	0.5
69.36963	1.0
69.37370	3.0
71.01379	6.2
72.99283	0.8
73.02934	1.4
78.80611	0.6
79.95736	42.3
80.96515	25.1
83.01405	0.7
83.04989	0.5
85.02940	2.4
87.00865	1.4
89.02447	4.8
93.64426	0.5
95.01359	0.6
96.96008	12.0
97.06557	1.3
99.04488	0.7
101.02450	4.4
102.31544	0.5
107.05035	2.6
113.02453	3.4
119.03476	1.6
131.05096	0.5
135.04489	1.8
161.04506	1.0
161.09712	2.8
161.13304	1.6
187.11275	3.0
189.09192	1.2
205.12317	1.7
207.10133	0.8
219.13918	0.7
223.13382	13.1
224.13614	1.0
225.14832	0.7
229.12250	0.8
249.11296	2.4
267.12350	15.1
268.12613	1.3
301.18048	2.2
309.13556	0.8
319.19199	1.2
336.13339	0.5
347.18610	15.2
348.19275	1.1
349.20380	0.9
357.12323	0.5
365.30518	0.6
369.15292	0.9
369.19263	2.4
385.16772	2.0
387.20154	2.1
387.87152	0.6
429.15857	100.0
430.16232	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	429.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99077	1.1
57.03447	3.2
59.01378	100.0
61.98817	2.7
69.24899	8.7
71.01376	12.3
71.05022	1.0
72.99303	2.5
73.02957	1.8
79.95728	2.0
80.96517	3.4
83.01365	1.5
83.05034	2.1
85.02947	3.2
87.00870	8.6
89.02455	8.7
96.96016	5.4
97.06609	2.9
99.04524	1.6
101.02449	8.4
105.01936	2.9
106.36260	1.2
107.05029	8.4
109.03009	1.1
109.06616	1.4
113.02415	5.2
113.50740	0.9
119.03502	2.6
119.05050	1.7
120.05783	3.6
120.99664	2.7
123.04552	1.3
135.04555	8.1
145.02933	2.1
147.11804	2.0
149.09686	1.1
152.04790	1.2
156.73160	1.1
159.11772	2.4
161.02466	4.5
161.04510	1.4
161.09706	11.8
161.13373	7.7
163.11320	1.9
169.10168	1.2
179.03546	2.8
185.13345	3.0
187.11281	20.5
188.11613	1.3
189.09245	7.0
197.04497	1.5
199.96722	1.0
201.12569	1.4
203.10846	6.3
203.14342	1.3
205.12369	7.5
207.10236	1.2
223.13391	80.3
224.13701	5.0
229.12344	7.3
231.10121	1.3
249.11359	7.4
255.65916	1.0
267.12363	60.5
268.12683	4.1
268.47983	1.1
279.39420	1.0
291.12479	6.2
309.13376	10.4
339.14511	9.2
339.90781	1.1
369.15552	48.6
370.15790	4.0
391.20529	1.0
428.55286	1.0
429.09418	1.5
429.17020	28.9
430.17358	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	429.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	4.1
59.01377	100.0
61.98814	2.2
66.06647	1.1
70.26836	2.8
70.27208	2.8
71.01377	13.8
71.04984	2.5
72.99294	1.6
73.02933	2.3
77.06948	1.4
79.95737	20.4
80.81946	1.2
80.96511	25.5
83.01373	2.8
83.05016	2.3
87.00882	12.2
89.02447	8.4
94.79704	1.2
96.95457	1.7
96.96003	17.0
97.06570	4.4
100.64411	1.5
101.02432	8.9
107.04984	5.6
109.06519	2.6
113.02401	5.0
119.03441	2.0
119.04967	1.3
120.05767	3.3
135.04517	7.7
143.03394	1.3
152.04736	1.9
159.08054	1.5
159.11705	2.7
161.02444	2.0
161.09731	15.6
161.13347	7.4
163.11255	2.7
166.68019	1.1
179.03418	1.5
179.05412	1.2
185.09506	2.0
185.13260	4.9
187.11261	24.6
189.09169	9.0
203.10745	6.5
203.14322	2.3
205.12285	8.8
207.10176	2.3
223.13376	84.1
224.13716	6.4
229.12207	9.1
231.10118	1.5
247.13379	1.8
249.11343	9.1
257.51785	1.2
267.12354	66.9
268.12592	4.8
291.12418	6.0
299.46967	1.7
309.13385	11.1
321.13388	1.9
339.14462	16.1
347.18668	11.8
369.15500	68.3
370.15601	5.7
411.16290	1.3
429.16019	81.0
430.16302	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	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18844	0.1
59.01354	0.1
69.68761	0.6
75.03407	0.1
78.84715	0.1
83.75990	0.1
98.20638	0.2
99.92578	5.3
100.92699	0.2
100.93359	4.7
101.93374	0.2
115.92071	100.0
116.92072	4.2
116.92856	5.6
117.92478	0.1
117.92919	0.2
130.94444	0.2
132.92354	1.1
142.94412	0.2
155.95099	0.2
162.79268	0.1
172.95450	5.4
173.95609	0.3
191.85347	0.1
197.48581	0.1
199.04491	0.1
204.94563	0.1
255.23221	0.8
355.15897	0.6
356.16464	0.1
371.15137	0.4
381.17310	1.1
411.18436	0.3
429.19446	6.9
429.33618	0.4
430.19586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.9
60.79510	0.3
60.84605	0.3
61.49909	0.2
65.07469	0.2
70.63996	0.6
71.01384	1.0
73.02952	0.5
79.95727	0.6
83.90898	0.3
85.02914	0.4
89.02424	0.3
101.02451	0.6
113.02434	0.4
115.45552	0.2
123.08157	0.5
136.94872	0.3
155.81253	0.2
161.04601	0.3
163.11246	0.5
167.03545	0.3
189.12836	0.5
197.71439	0.3
207.13933	0.9
429.15784	1.2
436.15372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	0.9
60.79510	0.3
60.84605	0.3
61.49909	0.2
65.07469	0.2
70.63996	0.6
71.01384	1.0
73.02952	0.5
79.95727	0.6
83.90898	0.3
85.02914	0.4
89.02424	0.3
101.02451	0.6
113.02434	0.4
115.45552	0.2
123.08157	0.5
136.94872	0.3
155.81253	0.2
161.04601	0.3
163.11246	0.5
167.03545	0.3
189.12836	0.5
197.71439	0.3
207.13933	0.9
429.15784	1.2
436.15372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.0
59.01379	100.0
60.01723	0.7
61.98810	0.4
64.53601	0.4
66.50143	0.4
69.66371	1.2
69.66767	0.7
71.01379	2.7
73.02951	1.2
83.01397	0.7
85.02981	1.0
88.85706	0.4
89.02464	1.4
98.30138	0.4
99.00861	0.5
99.04540	2.6
101.02438	3.1
108.02174	5.5
109.02977	0.5
113.02484	1.7
119.03530	0.6
123.04516	6.9
123.08178	1.4
125.02460	1.0
161.04604	1.3
163.11349	0.5
168.77483	0.4
179.05643	0.6
189.12883	1.9
207.13933	2.2
225.14958	0.8
349.57190	0.4
387.20172	0.6
429.15402	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	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.3
57.03439	0.6
58.00594	0.5
59.01379	100.0
60.01717	1.4
62.29850	0.2
69.03448	0.4
69.33952	2.1
71.01382	10.2
72.99324	0.5
73.02944	6.9
83.01379	1.5
85.02956	2.4
87.00882	0.7
89.02445	6.1
95.01411	0.6
96.96026	0.3
98.20648	0.6
99.00925	0.4
101.02442	9.3
102.02804	0.3
109.15207	0.3
113.02458	4.9
113.03179	0.5
119.03524	1.8
123.04565	0.8
125.02486	0.5
131.03534	0.7
136.15277	0.3
137.09755	0.9
143.03510	0.8
149.04587	0.5
152.87030	0.3
153.05583	0.9
161.04532	2.4
179.05667	1.1
207.06686	0.3
223.13623	0.3
225.15010	0.3
253.20026	0.3
254.25446	0.3
369.19376	0.4
377.21964	0.3
387.20453	1.2
429.15970	0.6
429.21344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01719	0.7
61.98836	0.9
64.31524	0.3
69.89149	1.3
78.95902	0.8
87.98632	0.3
91.04018	2.6
95.45388	0.3
98.72198	0.3
131.25017	0.3
145.41692	0.3
152.99597	0.8
195.13983	1.0
203.76883	0.3
240.10216	0.3
270.32913	0.3
277.21756	1.2
295.22736	13.7
296.23096	0.8
309.37231	0.3
416.77942	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01710	1.1
69.15959	2.1
69.16384	1.6
76.51777	0.4
78.95903	4.5
91.04005	1.9
91.56996	0.4
96.96960	0.5
116.71715	0.4
152.85042	0.4
152.99577	6.1
171.00659	1.6
195.13879	0.5
196.25520	0.5
216.41049	0.4
234.79871	0.4
277.21667	0.8
295.22766	12.6
295.25943	0.7
296.23209	0.8
313.19531	0.3
345.48035	0.4
395.74435	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.1
59.01379	22.2
60.99300	1.4
61.98830	25.8
67.01902	4.1
69.34979	6.2
71.01386	7.0
72.99316	1.9
73.02934	3.5
74.02460	0.9
81.03436	1.1
83.01338	0.9
83.56561	0.9
85.02926	1.0
87.00899	1.3
88.04044	0.8
88.98813	11.4
89.02412	2.5
92.26061	0.8
93.03459	18.7
96.95995	3.3
99.00875	1.2
101.02431	3.6
108.02168	3.5
109.02979	1.3
111.00862	1.2
111.04494	3.9
113.02426	2.5
117.03477	1.1
123.04513	1.5
124.03976	0.9
128.03555	1.3
128.73160	0.9
130.08714	1.8
134.03748	15.6
135.04535	2.3
137.02495	4.5
149.06068	1.0
152.01123	3.2
153.01637	1.0
153.09293	1.1
155.03552	4.8
161.02432	2.5
161.04530	1.6
167.03531	4.7
168.03775	2.6
173.04550	100.0
174.04872	2.5
177.01886	1.4
192.04303	1.9
193.05032	14.6
207.06606	2.8
207.10353	0.9
208.06882	3.4
223.13490	0.8
248.91483	0.8
279.36646	0.9
316.07532	2.5
367.10318	26.0
368.10522	1.7
385.19040	1.7
411.22644	1.1
429.23395	0.8
430.16699	2.6
430.23801	1.7
431.17480	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	430.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.01802	1.0
61.98830	100.0
67.80807	0.5
69.29251	4.1
74.63145	0.5
77.20396	0.5
78.95916	1.4
80.47720	0.5
82.54061	0.4
86.23955	0.5
96.95998	1.2
121.94427	2.1
150.62277	0.5
152.99596	1.5
279.36313	0.5
288.34521	0.5
320.20596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16367	0.9
59.01361	3.2
59.88951	0.8
61.98828	100.0
62.83015	0.9
65.74724	0.8
69.55165	3.5
69.55570	1.8
74.20474	0.9
78.95907	10.1
96.95998	1.0
98.20660	1.1
152.98407	1.0
152.99579	16.8
155.07990	1.1
171.00587	1.0
323.38361	0.9
431.21985	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83824	0.3
56.23084	0.3
59.01358	0.4
60.82242	0.3
60.99306	13.1
69.44591	1.0
69.44999	1.0
88.98804	100.0
89.02444	4.3
89.99145	1.4
102.20164	0.3
115.80775	0.3
152.01176	0.4
159.33328	0.3
191.05502	0.6
213.02348	0.3
227.78018	0.3
297.75980	0.3
341.10846	1.0
406.82269	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99007	0.8
60.99308	13.3
67.83549	0.4
70.45627	1.4
78.97414	0.4
83.00555	0.4
88.98804	100.0
89.99121	1.0
119.40273	0.4
120.11111	0.4
201.73033	0.5
268.35870	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03436	1.2
59.01381	100.0
60.01711	1.7
60.99303	5.3
61.98832	4.1
69.03442	1.0
71.01384	27.6
71.50909	0.9
72.99304	3.3
73.02554	1.7
73.02943	17.3
74.99088	1.1
78.95884	1.1
83.01381	6.7
85.02953	6.4
87.00877	1.7
88.98805	31.8
89.02444	14.5
93.03454	1.8
95.01414	1.8
96.96009	4.7
99.00902	1.7
101.02450	22.6
102.02787	0.9
102.05615	1.7
109.02933	0.9
112.88055	0.7
113.02460	13.6
119.03510	5.2
125.02438	2.1
131.03508	1.8
133.02948	1.2
134.03743	9.3
135.04504	3.4
143.03468	1.6
149.04689	1.8
149.06059	15.5
152.04828	1.0
161.02489	3.6
161.04555	5.8
163.04094	0.9
167.07062	0.8
168.00600	0.8
173.04575	4.5
174.04883	2.2
179.03444	1.8
179.05649	1.3
181.04897	1.0
187.56012	0.8
311.11374	23.5
312.11716	1.6
329.12326	5.3
348.33588	0.9
368.10724	1.1
371.12964	3.7
393.67023	1.0
431.12271	1.0
431.17639	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	431.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.7
59.01377	64.9
60.01707	0.6
60.99301	2.1
61.98820	3.0
63.93885	0.6
69.03444	0.8
69.64313	2.8
71.01380	7.4
72.99310	5.9
73.02947	6.5
74.02463	2.4
75.00877	1.4
78.95894	1.4
79.05521	0.5
80.02616	0.5
80.96529	0.6
81.03427	0.7
83.01389	5.8
83.05016	0.8
85.02946	2.3
87.00881	1.3
88.98800	10.4
89.02455	3.5
93.03462	1.3
96.96008	5.6
96.96967	1.5
97.02944	0.9
97.06586	1.1
99.00831	0.6
99.04489	3.1
101.02438	7.7
105.01931	0.8
107.05017	0.6
109.02930	1.6
109.06575	1.8
111.08160	1.0
113.02455	4.4
114.48967	0.5
116.05055	0.8
119.03547	0.9
119.05048	1.5
121.06617	1.3
121.80944	0.5
125.02462	0.8
131.03477	1.3
133.01430	3.6
133.02916	1.2
134.03703	0.6
135.04550	3.6
146.04436	0.5
153.09264	1.1
155.10820	0.6
161.02463	5.8
161.04550	1.8
163.03993	1.2
165.12840	11.6
170.15443	0.9
171.10252	1.1
173.04521	1.0
174.07631	1.2
179.03502	2.5
181.05078	2.1
187.07683	0.7
189.12787	2.8
197.04625	1.3
203.08246	1.6
207.13867	10.6
209.11821	16.6
209.15105	0.7
210.12225	0.8
213.09302	0.7
225.14908	4.4
227.03529	0.6
227.12883	1.8
231.13914	3.1
233.11697	0.7
251.12872	8.6
255.03072	1.1
257.08191	0.9
269.13919	100.0
270.14258	6.3
275.12881	1.6
284.03333	1.0
293.13950	1.8
311.14966	7.3
315.14560	0.7
341.16098	2.3
343.21320	0.8
359.07568	0.8
371.16974	8.7
371.20923	1.0
389.21860	0.8
431.09433	0.8
431.17957	9.0
432.18692	0.7
432.29651	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	431.22
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
62.96415	0.3
67.17189	0.2
67.52314	0.2
71.00548	0.5
78.95900	49.8
91.32000	0.3
96.96959	6.7
99.39704	0.2
125.60551	0.2
128.42477	0.2
150.98038	1.5
152.99585	100.0
153.99934	1.5
171.00636	3.6
209.10680	0.3
277.21771	0.7
288.91904	0.3
431.21967	8.0
432.22314	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.22
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25924	0.2
52.43368	0.2
61.98833	0.7
62.96404	0.2
65.55158	0.2
68.98225	0.2
69.38051	1.5
69.59846	0.2
78.95899	49.7
92.44859	0.2
95.32134	0.2
96.96954	5.9
150.98006	2.0
152.99576	100.0
153.99925	1.4
171.00638	5.1
173.38132	0.2
277.21695	0.7
284.74960	0.2
291.56641	0.2
348.57498	0.2
431.21976	7.4
432.22403	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
57.03438	0.7
58.00586	0.8
58.29146	0.4
59.01377	100.0
60.01713	1.2
60.99309	0.9
61.01808	0.5
61.98827	1.1
69.03471	0.4
71.01379	20.6
71.04993	0.3
72.99305	2.0
73.02943	11.8
74.99106	0.3
80.96494	0.3
83.01383	3.5
85.02946	5.2
87.00880	1.0
88.98803	7.4
89.02444	10.4
93.03473	0.6
95.01369	1.8
96.96024	1.3
97.02980	0.5
99.00899	1.3
101.02438	14.9
102.02740	0.6
109.02992	0.4
113.02444	14.0
114.02804	0.6
119.03490	3.3
123.04562	0.7
125.02465	0.6
128.03465	0.4
131.03517	1.3
133.02966	0.6
134.03760	0.3
135.04510	2.6
142.17981	0.3
143.03534	1.2
145.03003	0.5
146.04620	0.3
149.04579	1.2
151.04034	1.3
153.09198	0.5
161.02472	2.1
161.04541	4.8
163.04024	0.7
165.09221	0.5
179.05667	0.6
197.04550	0.5
197.45190	0.3
207.03065	0.5
225.04109	0.9
227.16512	4.6
251.01949	0.5
285.04169	0.5
371.20721	17.0
372.20972	1.7
389.21799	7.5
390.22379	1.0
431.06262	0.4
431.17691	4.6
431.22842	1.9
432.17743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96777	0.2
55.01873	0.5
57.03444	0.2
59.01377	100.0
60.01720	0.9
60.99299	0.3
61.98836	0.3
66.91893	0.2
69.37592	1.4
71.01379	5.7
72.99322	0.3
73.02952	2.0
75.00880	0.3
82.60631	0.2
83.01376	0.9
85.02953	2.6
87.00869	0.2
88.98798	2.0
89.02444	2.4
95.01390	0.5
96.96017	0.7
97.02937	0.2
98.37659	0.2
99.00895	0.7
101.02446	4.2
108.17754	0.2
113.02443	3.1
114.02869	0.2
117.24896	0.2
119.03503	1.0
125.02472	0.3
128.03464	0.2
135.04536	0.3
143.03476	0.3
159.03020	0.4
160.33731	0.2
161.02451	0.7
161.04555	1.4
165.09235	0.5
165.23483	0.2
179.05569	0.2
197.04492	0.3
227.16444	0.3
256.05771	0.2
335.77826	0.2
371.20660	3.2
384.75684	0.2
389.21814	5.3
389.26636	0.3
390.22168	0.4
408.90848	0.2
431.17480	1.7
431.23004	1.0
432.17453	0.4
432.22879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78650	0.5
54.34963	0.4
55.01880	0.7
57.03448	1.3
59.01378	100.0
60.01719	1.5
60.99306	1.0
61.01814	0.5
61.98826	4.8
71.01381	11.7
72.99290	3.2
73.02946	4.2
74.20965	0.4
75.00880	0.8
79.95766	0.4
81.41624	0.4
83.01403	1.6
85.02946	4.8
88.98797	5.2
89.02452	4.2
89.83059	0.4
95.01401	0.9
96.96022	1.8
98.48328	0.4
98.95622	0.8
99.00875	2.1
101.02436	8.5
101.83901	0.4
105.01942	0.5
113.02438	5.0
114.02802	0.5
115.07645	0.4
119.03527	1.3
119.05070	1.2
125.02455	0.5
128.03555	0.5
130.35820	0.4
133.01439	1.0
133.03000	0.5
135.04515	3.0
143.03517	1.0
156.06567	0.4
159.02977	1.0
161.01099	0.4
161.02457	1.7
161.04550	8.1
171.10281	0.8
173.04619	0.7
177.20834	0.4
179.03561	0.9
181.05116	0.9
184.33545	0.4
187.07668	0.5
207.13893	0.5
209.11830	1.1
209.15472	0.9
223.13495	0.4
248.63191	0.4
269.13998	3.5
293.13910	0.5
343.21039	0.5
371.16827	0.8
371.20746	21.4
372.21188	1.7
431.16544	4.4
431.22769	2.0
432.17331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65757	0.2
55.01879	0.4
56.33110	0.2
57.01404	0.2
57.03440	0.5
59.01380	100.0
60.01722	1.0
60.99307	0.6
61.98829	1.1
71.01382	6.5
71.50923	0.3
72.99310	0.8
73.02947	1.9
75.00890	0.2
78.91895	0.2
83.01378	1.1
85.02955	2.8
87.00894	0.6
88.04006	0.2
88.98805	4.7
89.02447	3.3
95.01395	0.7
96.96010	2.2
99.00892	0.7
101.02444	3.7
102.02776	0.2
109.02989	0.2
111.00914	0.2
113.02457	4.4
114.02824	0.2
119.03526	0.9
121.10385	0.2
123.04597	0.2
128.03568	0.4
130.08739	0.5
132.03043	0.2
133.03000	0.3
135.04552	1.2
136.99106	0.2
143.03531	0.5
145.06236	0.5
151.04097	0.2
155.10805	0.3
159.02942	0.2
161.02493	0.9
161.04549	1.5
163.04124	0.2
179.03477	0.4
179.05690	0.2
181.05119	0.3
227.16541	0.5
232.84479	0.2
267.06723	0.2
297.47275	0.2
371.20691	3.5
372.21136	0.3
389.21814	4.5
389.26617	0.3
389.59482	0.2
390.22037	0.3
431.17673	3.0
431.22955	0.6
432.17944	0.3
432.23260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.8
57.03444	0.6
58.00571	1.0
59.01378	27.3
61.98832	0.5
69.93810	1.7
71.01379	13.5
72.99307	1.1
73.02937	1.3
75.00829	0.4
78.24718	0.4
78.95898	14.8
79.99142	0.4
83.01390	1.6
84.02149	0.6
85.02943	3.4
87.00871	1.3
89.02439	10.3
95.01395	0.8
96.96961	2.0
99.00887	0.4
101.02440	8.7
111.69546	0.4
113.02444	4.9
119.03493	3.4
149.04558	0.4
150.97983	0.5
152.99577	30.1
153.99899	0.4
171.00574	1.5
179.05548	0.7
223.20662	8.2
251.20143	3.6
253.21686	0.8
256.06201	0.4
263.20288	0.4
265.21695	0.9
269.21198	33.9
270.21564	2.5
277.21707	0.4
311.22351	0.7
429.99149	0.5
431.26477	100.0
432.26773	9.8
450.52939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04408	0.5
55.01870	1.1
58.00582	1.3
59.01377	30.3
61.98837	3.2
64.73886	0.4
67.84003	0.5
71.01380	15.1
72.99306	1.0
73.02942	1.5
78.95488	0.9
78.95905	12.2
81.45766	0.4
83.01397	1.5
84.02152	1.6
85.02940	3.8
87.00867	1.3
89.02441	12.4
95.01394	1.6
96.96931	1.1
101.02440	11.2
113.02438	5.3
119.03497	4.7
137.61916	0.5
138.96558	0.5
152.99577	19.7
153.00826	1.1
223.20657	7.0
224.21002	0.6
251.20084	3.7
253.21707	0.9
265.21713	0.9
269.21191	39.1
270.21597	2.6
277.94595	0.5
311.22318	1.2
414.71939	0.5
431.26483	100.0
432.26837	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50386	1.0
59.01369	3.1
61.39775	0.9
61.98829	100.0
62.96164	0.9
63.31046	0.9
64.58947	0.9
69.76083	2.3
69.76496	3.5
78.95921	5.3
101.89337	1.0
111.29807	0.9
152.99594	8.4
210.32933	1.1
248.08025	1.2
270.21606	1.7
432.26791	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	432.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18554	0.6
59.01375	3.2
60.70926	0.6
61.01830	0.7
61.98829	100.0
69.56211	4.3
71.75522	0.6
78.95914	7.5
82.69794	0.6
96.96997	0.8
104.55686	0.6
152.99588	9.6
153.99940	0.9
219.50099	0.6
348.84134	0.6
432.22153	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0773
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
57.03436	0.4
59.01373	3.8
63.02397	0.6
63.84185	0.3
65.00318	0.8
69.34591	0.3
71.28655	0.6
83.01363	0.4
99.04475	0.4
107.01379	2.1
108.02161	1.5
109.02997	0.7
121.02938	1.1
135.00903	0.9
148.01749	1.5
151.00378	6.2
163.00342	1.4
164.01097	0.6
168.19385	0.3
174.00827	0.3
178.98755	0.3
178.99927	3.1
180.29861	0.4
187.03941	0.5
192.00661	0.4
192.80400	0.3
199.03928	0.7
211.03955	0.8
215.03557	0.5
216.04263	0.4
226.02718	1.0
227.03481	2.5
229.04968	0.4
243.02966	9.4
244.03384	0.8
245.04420	0.8
254.02199	2.1
255.02980	22.2
256.03397	1.5
271.02460	49.5
272.02838	3.9
273.03992	0.5
283.02448	0.8
299.02032	0.9
300.02731	100.0
301.03412	24.9
301.08508	0.4
302.03821	1.4
389.19437	0.3
433.07715	62.3
434.08093	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85424	1.5
55.01877	2.4
57.03455	8.5
58.00615	2.1
59.01376	100.0
60.11863	1.4
61.72591	1.6
61.98818	7.4
70.10339	6.1
71.01376	57.5
72.99306	7.7
73.02941	18.6
75.00884	2.1
83.01367	9.2
85.02948	25.9
87.00868	5.1
88.11578	1.6
88.98817	5.7
89.02431	10.5
93.03449	3.3
95.01367	6.4
96.96039	2.3
97.02962	1.8
98.20583	2.8
99.00890	5.0
99.04523	9.1
101.02436	42.3
110.00129	1.7
113.02441	26.4
119.03510	5.1
119.08675	2.1
123.04533	2.2
125.02436	7.1
128.03438	1.7
137.02464	2.0
137.09695	2.4
137.99603	3.1
143.03502	6.0
153.01923	33.9
154.02655	3.2
159.02972	6.1
161.04536	58.7
167.03477	3.4
168.04257	17.4
169.05069	13.9
179.05553	5.5
181.08682	68.4
182.09009	4.1
199.27412	1.5
343.13998	3.8
355.13885	5.0
373.11270	5.7
373.15048	80.2
374.15268	6.3
433.17349	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59747	0.4
57.03442	4.6
58.00608	0.6
59.01378	100.0
60.01713	0.8
61.98836	1.5
69.20970	3.7
71.01382	13.7
72.00835	0.4
72.99325	1.9
73.02944	3.2
75.00865	0.8
78.95919	0.6
83.01382	1.1
83.05041	1.2
85.02953	4.1
87.00893	1.6
88.98818	0.8
89.02438	9.4
95.01378	0.9
96.68903	0.4
96.95992	2.4
99.00887	1.4
99.04513	2.6
101.02438	9.4
101.06090	1.3
112.25131	0.5
113.02446	6.7
114.64555	0.5
116.92894	1.6
119.03490	4.6
123.08183	1.6
125.02469	1.4
127.04098	0.4
131.03496	0.5
132.03033	1.2
135.04572	0.6
143.03499	1.5
149.04559	0.6
153.09331	0.5
159.02954	0.9
161.02505	0.8
161.04553	11.7
161.05901	0.8
162.04890	0.5
163.04057	0.5
173.04604	0.5
175.11316	1.3
177.64082	0.6
179.03514	0.4
179.04025	0.6
179.05611	6.0
191.03479	0.5
211.13411	5.2
302.41348	0.7
351.13016	1.7
373.18668	4.5
374.19452	0.5
433.18625	3.7
458.42966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30302	0.6
53.14907	0.6
57.03436	2.8
59.01377	100.0
60.01695	1.0
61.98834	3.6
69.30644	4.9
71.01377	12.4
72.99316	2.7
73.02943	3.2
75.00880	1.9
83.01397	1.3
83.05035	1.3
85.02970	3.3
87.00882	1.3
88.04064	1.5
88.98795	1.0
89.02446	9.5
89.82621	0.6
93.03464	0.9
95.01397	0.9
96.96035	2.5
99.00883	1.3
99.04533	2.0
101.02447	7.5
101.06094	1.8
113.02464	5.9
119.03487	4.0
123.04417	0.7
123.07217	0.6
125.06100	0.8
130.08737	0.9
131.03580	0.7
131.04614	1.2
132.03024	6.2
135.04593	0.7
137.02512	0.6
139.07626	0.7
143.03564	1.8
159.03062	0.8
161.04527	10.0
172.09940	0.9
173.04497	1.3
179.05618	5.2
191.05579	0.8
209.08696	0.6
211.09819	0.9
211.13403	2.1
220.07260	0.5
249.06207	0.8
258.89096	0.6
309.48193	0.6
351.12979	3.3
373.18768	1.6
389.18423	0.9
433.19104	4.3
434.20380	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2355
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
50.30868	0.3
60.45877	0.2
69.19403	1.4
69.19829	1.1
77.20757	0.3
78.95899	46.3
96.96954	6.3
96.97589	0.3
112.83950	0.3
122.15447	0.3
150.98016	1.4
152.99574	100.0
153.99895	1.4
160.75497	0.3
170.45302	0.3
171.00636	4.0
208.90706	0.3
279.23291	0.6
391.97217	0.3
411.55676	0.3
433.17535	0.5
433.23578	9.7
434.23926	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
59.01378	100.0
60.01699	1.0
61.98831	3.7
69.53864	2.2
71.01385	4.3
72.99294	0.6
73.02926	1.5
75.00880	0.4
83.01388	0.6
85.02942	1.4
87.00871	0.5
89.02431	1.2
95.01362	0.4
96.95981	0.7
99.00891	0.7
101.02434	4.1
108.02074	0.4
109.02934	0.5
112.98744	0.4
113.02437	1.6
125.02473	0.4
126.47481	0.3
135.04523	0.4
139.18605	0.3
139.94751	0.3
148.71985	0.3
151.00346	0.6
152.06879	0.4
153.01984	0.4
161.02414	0.4
161.04518	2.4
163.11281	0.4
173.00923	0.4
173.04605	0.4
183.10251	0.8
209.11806	2.5
227.12857	0.8
235.13385	0.5
255.02945	1.1
271.02438	2.5
300.02719	3.3
301.03271	1.2
373.22266	9.3
374.22632	0.6
433.07129	2.8
433.19666	1.6
433.24405	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65572	0.6
59.01377	14.9
61.98827	100.0
71.01395	2.0
73.02937	3.0
76.92250	0.5
83.01425	0.7
86.43571	0.5
88.98788	0.9
89.02435	1.0
98.20741	1.4
101.02444	2.7
109.02941	10.5
113.02470	1.0
114.07238	0.5
115.92003	0.6
117.03481	0.9
118.98131	0.8
119.05031	0.8
121.02992	1.0
135.04538	1.1
137.02417	0.7
145.02943	16.8
146.03740	15.9
147.04514	2.3
157.02988	1.0
158.03755	0.8
159.04524	2.7
161.02399	2.9
161.04636	0.8
163.04001	1.7
173.02409	8.3
173.04623	0.9
175.03999	0.9
177.05640	1.4
185.02499	0.7
187.04082	1.5
188.04852	1.2
189.02008	0.6
190.02687	10.8
191.03239	1.2
199.13434	1.0
202.02724	0.7
203.03647	1.1
204.04257	3.4
205.05038	71.7
206.05399	3.5
217.05043	10.9
218.05457	0.7
229.01431	4.0
249.05530	0.9
261.03976	3.7
267.06589	4.6
268.07306	1.1
277.05115	2.3
295.06094	8.0
296.06448	0.6
327.08719	21.6
328.09103	1.6
331.17953	0.6
339.05127	3.4
340.05228	0.7
341.31628	0.6
371.07684	37.3
372.07932	3.7
415.06128	0.6
425.70508	0.6
428.75037	0.6
433.28482	0.7
434.28412	0.7
435.22192	1.1
445.23959	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01375	0.7
61.98829	100.0
72.90136	0.3
72.96506	0.3
75.57145	0.3
99.04530	0.3
101.06086	0.5
129.97496	0.3
151.27548	0.3
152.14233	0.3
185.11859	0.9
215.12813	0.3
295.58780	0.3
323.93445	0.3
341.23438	0.7
371.24347	18.3
372.24789	1.6
373.20203	0.3
404.45282	0.3
448.06189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
59.01381	3.7
59.02611	0.3
61.98830	100.0
62.98532	0.3
67.13862	0.3
71.00394	0.5
71.01380	0.5
71.67570	0.3
73.02914	0.3
84.24006	0.3
85.02956	0.6
99.04521	3.5
101.02403	1.7
105.73700	0.3
125.02468	0.9
126.65339	0.3
141.48579	0.3
150.39389	0.3
177.46146	0.3
185.11932	1.0
185.43692	0.3
243.15758	0.3
291.18250	1.1
338.69684	0.4
341.23547	0.7
371.24377	14.3
372.24634	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	435.093
Annotation	7-O-Methylmangiferin
Peak:m/z	Relative Intensity
59.01384	5.1
61.98824	6.2
62.20362	0.4
65.03951	0.6
66.63011	0.4
69.03481	0.4
71.01395	2.0
71.50974	0.6
72.99313	0.7
73.02921	0.8
74.53255	0.5
80.14964	0.4
81.03464	0.9
85.02950	1.8
93.03458	60.1
94.03796	1.8
95.01395	1.2
96.96009	0.5
101.02475	0.6
105.01986	0.5
106.97971	0.4
108.02172	58.1
109.02972	24.2
113.02482	0.9
121.02937	0.9
123.00871	1.4
123.04523	0.7
133.02982	0.8
133.03940	0.4
135.04520	1.2
137.02444	88.6
138.02795	2.6
143.75734	0.5
149.02333	0.7
151.04002	1.3
151.07573	0.4
152.01147	77.7
153.01939	32.7
154.02309	1.2
161.02449	2.0
163.04005	1.9
165.01895	1.4
173.04430	0.4
179.03535	0.9
181.05002	0.6
195.03006	0.7
207.02855	0.4
215.03471	0.6
247.49028	0.4
251.75403	0.4
261.62476	0.5
297.06131	17.1
298.06454	0.8
315.07214	17.4
316.07520	0.9
373.14865	0.6
435.09293	100.0
436.09677	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	435.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
57.03437	2.3
58.00602	0.4
59.01379	12.7
61.98830	8.9
68.99803	0.6
69.57537	1.9
71.01381	12.0
72.99308	3.8
73.02941	1.0
75.00868	16.1
83.01396	0.7
83.04994	0.4
85.02948	17.0
86.59538	0.4
87.00870	6.2
89.02448	2.6
95.01381	4.1
98.20658	0.7
99.00878	9.1
101.02422	0.6
101.06078	100.0
102.06412	2.0
103.00351	1.5
111.00902	0.8
113.02445	21.1
114.02777	0.5
115.00355	1.5
117.01928	2.7
119.04976	0.4
127.03919	0.4
127.14918	0.4
129.01924	1.4
136.50757	0.4
157.01373	0.7
173.04488	0.4
175.02444	3.4
193.03477	1.0
205.07162	0.8
231.05042	0.6
249.06093	2.7
255.61533	0.4
276.78476	0.4
314.36472	0.4
333.11926	3.2
351.12936	6.4
375.16687	0.7
396.59717	0.5
417.17563	1.3
435.18658	73.4
436.19009	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
57.03447	100.0
58.03793	1.3
59.01378	83.0
61.98832	11.0
63.00132	0.6
67.01466	0.6
71.01380	14.1
71.52392	0.7
73.02943	7.8
80.50674	0.6
81.03470	1.0
83.01379	4.6
85.02951	10.8
87.00891	0.9
89.02484	2.0
95.01362	0.7
99.00900	2.9
99.04517	86.4
100.04927	0.7
101.02442	37.9
101.06080	1.6
113.02438	6.5
119.05058	0.9
125.02447	23.3
125.03336	1.4
126.02847	0.9
135.04539	0.8
143.03528	1.9
158.24893	0.8
159.03055	1.6
161.02507	1.1
161.04523	5.8
174.30933	0.7
251.35959	0.7
273.20953	0.8
291.18130	29.7
292.18607	1.4
304.24210	0.7
333.19293	2.9
372.24551	1.0
435.21841	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	435.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
60.72436	0.2
64.92408	0.2
73.71909	0.2
78.95902	51.2
80.63663	0.2
88.07588	0.2
96.96966	6.2
96.97604	0.4
98.20637	0.7
102.34712	0.2
109.86581	0.2
118.83969	0.2
119.71892	0.2
132.07127	0.2
134.66916	0.2
141.60335	0.2
150.98006	1.6
152.99582	100.0
153.99939	1.4
154.31647	0.2
165.32338	0.2
171.00616	4.5
186.68839	0.2
233.05736	0.2
281.24817	1.4
435.25146	9.1
436.25293	1.1
450.28522	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2513
Annotation	1-Oleoyl Lysophosphatidic Acid (sodium salt)
Peak:m/z	Relative Intensity
56.02678	0.2
57.74179	0.2
62.96369	0.3
69.30729	0.2
76.40490	0.2
78.95899	54.1
96.96958	6.5
96.97595	0.3
98.20746	0.5
108.66502	0.2
112.51672	0.2
150.98003	1.6
152.99582	100.0
153.99918	1.3
158.36464	0.2
171.00656	3.9
220.51241	0.2
267.23248	2.3
281.24915	1.0
433.81476	0.2
435.25125	10.9
436.25626	0.7
445.53125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12214	0.2
52.36458	0.1
57.03423	0.2
59.01381	0.5
61.98828	100.0
63.36053	0.1
70.11864	0.2
70.12192	0.6
71.01392	0.2
72.19624	0.2
72.99303	0.2
86.99850	0.2
93.03474	1.1
98.20599	0.2
117.03517	0.2
118.18481	0.2
119.05048	0.4
124.01676	0.2
133.02975	0.4
135.04561	0.4
137.02452	0.4
145.02965	1.2
150.03212	2.0
158.03784	0.4
159.04507	5.6
159.05807	0.3
161.02472	0.4
163.04036	0.2
173.04582	0.6
179.03564	0.4
185.11908	0.3
187.04022	0.2
187.07613	0.2
215.12900	0.4
223.07727	0.4
233.06126	0.2
235.07655	0.2
237.05598	0.2
239.07166	0.3
250.06456	0.6
251.07115	9.5
252.07976	0.7
255.06750	0.2
266.05707	0.3
267.06677	0.6
279.06708	0.3
295.06128	1.7
296.06909	1.1
313.92197	0.2
339.05246	0.3
340.06021	0.5
343.24936	0.4
355.75967	0.2
373.25912	13.0
374.26337	1.2
437.12659	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
61.98830	100.0
62.34178	0.2
62.98524	0.2
69.94418	1.1
70.25224	0.2
89.80569	0.2
93.03484	0.4
96.33456	0.2
145.02975	0.4
150.03238	0.7
159.04462	2.0
162.55725	0.2
164.17982	0.2
187.07748	0.3
211.38831	0.2
215.12964	0.5
251.07103	4.1
252.07867	0.4
278.10052	0.2
282.77707	0.2
295.06186	0.7
296.06656	0.5
327.17627	0.2
330.22766	0.2
343.24988	0.6
355.25125	0.4
359.77020	0.2
373.25916	14.9
374.26331	1.1
443.36658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.5
61.98829	100.0
69.91638	2.2
71.01397	0.6
72.99304	0.8
75.00916	0.5
82.77637	0.5
85.02967	1.2
86.03308	0.5
87.00882	0.7
93.03471	0.5
97.93915	0.5
98.20565	0.7
101.06087	5.3
102.06439	1.9
113.02456	1.3
119.05061	1.4
124.01720	0.7
133.03027	0.6
150.03320	0.6
159.04555	1.0
161.02406	1.2
173.04591	1.6
179.03416	0.6
189.02097	0.8
209.11903	1.0
229.08905	0.5
237.05493	0.5
251.07123	12.7
252.07933	2.0
267.06644	0.8
295.06244	1.9
296.06885	2.6
373.25864	7.0
374.26462	0.7
391.52039	0.5
436.19122	4.7
436.24701	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80009	0.5
55.11695	0.4
59.01378	1.3
61.98831	9.3
67.86789	0.5
72.99313	1.5
85.07423	0.4
93.03454	10.0
100.98785	2.0
109.02956	1.3
117.03478	2.7
119.05025	1.2
121.02972	0.9
123.00851	0.5
124.01653	1.5
130.04248	2.1
131.05032	1.1
133.02954	3.7
134.03708	1.7
135.04539	1.0
137.02466	1.8
143.04964	1.0
145.02956	15.4
146.03694	2.5
147.04488	1.0
149.02438	0.8
150.03229	23.6
151.03607	0.9
158.03772	2.9
158.34776	0.5
159.04517	71.8
160.01610	0.7
160.04861	3.8
161.02422	2.8
163.03938	0.6
168.00638	0.5
173.02504	0.6
173.04630	0.9
174.03152	0.9
175.03966	1.0
177.01968	1.4
181.06601	0.6
187.03981	4.5
187.07677	1.6
189.01973	0.8
195.08128	1.5
198.47560	0.5
207.08116	0.8
209.06036	1.7
210.06750	0.7
211.07466	0.6
213.52914	0.5
221.06094	0.7
222.06818	2.1
223.07600	4.6
233.06076	1.3
234.06873	1.8
235.07608	2.1
237.05508	1.9
238.06288	3.4
239.07104	4.1
243.03030	0.7
249.05630	0.9
250.06366	6.4
251.07121	100.0
252.07674	12.7
253.08604	1.3
255.06569	0.7
265.04788	0.6
266.05838	2.5
267.06577	5.9
268.07089	0.9
277.05060	1.0
277.46811	0.6
279.06580	1.5
284.07001	0.9
295.06094	15.5
296.06796	10.6
297.07028	0.7
339.05115	3.8
340.05688	1.6
341.06689	0.6
349.14441	1.6
364.98187	0.5
393.13327	1.8
437.12457	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	437.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	34.1
61.98832	73.8
68.99306	6.9
71.01363	15.1
71.50890	10.0
72.99278	9.0
78.97639	9.0
87.73961	8.1
94.92513	14.6
96.96008	33.2
99.04498	13.8
101.02406	9.2
113.02445	9.1
123.04469	17.0
134.03757	12.5
135.04544	17.7
153.05556	23.7
175.18329	7.1
193.05005	8.3
216.87764	8.0
437.15863	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	437.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	9.6
59.01356	14.8
61.98832	22.1
70.74355	9.4
70.74684	16.3
71.05022	33.9
81.03461	16.6
83.05038	15.8
85.70732	6.7
93.03464	9.5
95.05019	23.0
97.06586	48.2
99.08140	12.4
108.02205	7.5
109.06599	18.8
110.03771	10.6
111.04510	29.5
116.92848	18.8
121.06577	12.2
123.08159	29.3
125.09726	73.3
129.05585	12.3
134.03757	8.4
135.04500	17.3
137.06035	10.7
137.09749	8.6
149.06068	14.9
151.07634	17.4
163.11278	9.3
167.07143	75.4
171.10277	39.0
172.02992	6.5
173.04524	11.0
179.03473	27.9
185.11829	7.0
187.08006	9.1
187.09755	27.1
191.10689	7.0
201.11346	27.6
207.10178	8.1
209.11813	26.2
211.13347	63.5
213.11304	20.6
215.12823	56.5
225.11368	7.3
227.12845	8.9
231.13823	9.2
235.13266	13.1
237.14874	9.0
249.11221	11.7
265.14523	14.6
273.14978	20.7
285.14954	25.1
291.15939	15.4
301.14487	7.8
303.15976	55.8
307.18860	13.2
309.17163	27.1
309.75131	8.1
319.15662	9.1
321.17105	28.8
329.17532	23.6
347.18686	19.2
383.22247	31.4
391.25064	11.6
393.22964	13.6
401.23230	83.9
402.23740	10.7
419.24387	100.0
420.24823	14.1
437.12564	13.5
437.25372	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.254
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78326	0.7
59.01372	6.4
59.48757	0.7
61.98836	4.2
71.52639	0.8
72.99321	1.0
78.02315	0.8
81.03461	1.4
83.05003	1.6
87.58196	0.8
88.98799	0.9
95.05024	0.8
97.02946	1.9
97.06605	1.2
109.06593	10.1
110.03740	0.9
112.98583	1.2
118.80007	0.7
123.08258	0.8
125.09719	2.3
128.16628	0.8
135.00797	0.8
135.04503	2.5
135.08244	1.1
145.03014	0.8
148.53415	0.8
151.03998	1.6
161.02440	2.3
163.10022	0.8
163.11263	4.4
171.10318	0.8
173.04567	3.2
176.53711	0.8
179.03490	4.1
181.12335	2.7
183.13908	5.6
185.11780	1.1
187.07620	0.9
193.12337	1.1
198.80856	0.9
205.12361	1.8
207.10223	18.4
209.11899	1.2
211.13387	100.0
212.13734	5.7
221.15317	2.4
223.13344	4.2
225.11319	23.6
231.13921	2.2
253.93123	0.9
257.08206	1.3
274.97913	0.8
300.60980	0.8
339.23358	1.1
375.21683	0.9
383.22272	1.8
393.22507	5.6
401.23251	4.5
419.18668	1.1
419.24356	23.4
420.24741	2.0
437.25403	3.5
454.85007	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52493	1.5
57.03445	13.9
59.01377	20.8
60.55777	1.4
61.98827	11.6
71.01378	4.6
71.39761	1.9
73.02959	2.3
76.58664	1.7
78.95913	5.5
85.02933	2.5
87.00888	2.2
89.02478	1.7
96.96007	33.7
96.96928	7.1
99.04526	14.7
99.14904	1.7
101.02442	5.0
103.00459	1.7
113.02432	2.5
120.01251	100.0
120.04543	2.3
121.05344	2.8
122.06121	6.6
125.02401	5.0
129.01912	1.7
133.02989	2.6
134.06105	8.7
135.04520	6.0
136.04054	24.1
136.07684	47.0
138.05655	2.2
150.05614	1.8
152.16878	1.4
161.02426	3.7
161.04497	1.9
161.07176	2.2
167.01666	1.9
170.02684	1.7
177.10347	2.4
178.08691	1.9
212.10744	6.3
225.06685	1.9
230.11867	9.0
240.09050	8.5
254.09396	2.6
255.11377	74.9
255.14851	3.8
256.11765	5.1
269.11664	2.6
273.12445	62.3
274.12726	3.9
283.13254	2.5
289.10181	5.4
294.13031	2.0
295.14063	3.4
298.15561	26.5
299.10373	14.4
299.15872	3.1
317.11499	10.6
333.09085	6.2
337.14868	2.1
342.14560	32.3
343.14862	1.5
351.10394	1.9
412.84418	1.6
430.09494	1.6
439.18100	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	438.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.32144	5.4
75.37855	3.3
86.04774	2.8
150.72461	3.0
168.61917	3.2
269.62274	3.1
280.45621	3.2
329.55032	3.2
409.82211	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	438.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
61.98829	100.0
63.41025	0.2
65.46606	0.2
68.99569	1.9
70.87746	0.2
71.01244	0.2
72.99308	3.7
75.34097	0.2
93.03493	0.3
94.90803	0.3
96.96027	0.5
97.06575	0.3
103.15875	0.2
112.98551	2.7
117.03501	0.4
119.05033	0.7
121.03013	0.4
128.03575	0.4
135.04553	1.2
140.28230	0.2
145.02939	1.6
151.03979	0.3
159.04578	0.3
161.02448	0.6
163.04025	1.0
172.05342	0.8
173.06070	0.5
175.07672	0.3
181.05084	1.7
187.04076	0.3
187.07628	6.9
187.09230	0.4
199.04037	0.5
199.37044	0.2
202.06366	0.6
213.09273	0.9
215.07149	0.8
219.10306	0.9
227.03639	0.6
231.10243	2.0
245.41048	0.3
251.07213	0.8
252.07518	1.2
253.08455	0.3
257.08142	2.8
275.09363	1.0
293.10287	4.0
296.06668	0.4
305.84665	0.2
325.07217	0.6
375.27472	9.8
376.28052	0.9
438.24890	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0756
Annotation	Unknow
Peak:m/z	Relative Intensity
66.98299	0.4
70.98178	0.4
70.98517	0.6
71.01362	0.4
78.95902	22.2
79.95735	1.9
81.78973	0.3
90.66171	0.3
96.96005	100.0
96.96953	48.2
98.76266	0.3
115.00392	0.4
230.52412	0.3
334.14905	0.3
380.71475	0.3
439.08569	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	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.9
69.03388	0.2
69.36150	1.8
71.01378	1.0
78.95902	44.5
79.95722	0.4
89.02424	0.8
96.96034	23.8
96.96956	100.0
101.02425	0.5
103.93337	0.2
107.87086	0.3
119.03485	0.3
125.66956	0.2
135.76494	0.2
145.07222	0.2
179.05611	0.6
302.55621	0.2
341.10889	1.8
439.08594	2.7
440.08679	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.4
59.01380	20.8
59.10350	2.7
61.98822	11.8
63.05930	2.4
70.26768	8.5
71.01375	6.3
73.02972	2.6
78.95911	17.0
79.95728	4.1
82.95411	10.3
83.01401	3.8
85.02958	3.8
88.98788	4.2
93.03452	7.6
96.96011	100.0
96.96941	14.9
99.00865	5.3
99.04535	3.3
101.02433	6.8
108.02187	6.8
109.02939	6.4
110.96004	3.2
120.99614	4.0
123.04494	8.8
134.03719	7.0
135.04506	12.1
137.02370	3.8
146.03680	6.1
146.87099	2.8
147.04529	3.8
149.06053	3.3
152.01164	3.8
153.05534	9.2
158.03667	3.0
159.04506	5.7
160.01616	4.9
160.05328	6.7
161.02492	8.0
161.06047	7.1
162.03235	15.5
163.03941	5.6
173.04596	4.3
173.06035	5.2
175.03998	15.1
177.05557	31.4
178.06276	3.4
184.05247	6.5
185.06094	4.3
187.03975	6.9
188.04784	16.6
190.02678	7.7
190.06339	3.5
193.08629	2.9
201.05470	3.6
203.03505	2.9
203.07141	5.4
204.01790	2.8
204.04289	6.1
205.05011	10.7
214.06384	5.0
215.03526	4.0
217.08640	11.1
219.06616	23.4
221.08128	14.1
225.07649	3.4
229.08670	4.6
231.06561	16.2
233.04483	5.6
235.06071	11.7
249.07565	15.3
251.05533	8.6
265.07037	4.1
273.07742	7.9
275.05658	13.6
291.08688	8.9
293.06735	16.7
330.60864	2.9
335.07785	17.1
353.08707	45.4
354.08774	4.8
395.09760	4.0
401.18103	3.1
440.17142	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	439.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67625	0.6
55.01867	0.7
56.73611	0.5
57.03454	3.7
58.00573	0.9
59.01378	50.2
61.98832	3.2
67.01876	1.6
69.03461	0.8
69.22829	4.0
69.23238	1.5
71.01381	18.7
71.96744	1.3
72.99304	6.6
73.02931	2.0
75.00871	19.3
75.68369	0.6
78.95900	2.3
79.95737	0.6
81.03448	0.7
83.01388	1.2
83.05015	1.0
85.02946	19.9
86.03247	0.7
86.99100	1.5
87.00879	6.7
89.02434	7.8
93.03431	1.3
93.36717	0.5
95.01398	5.5
96.96007	12.4
96.96968	2.6
97.02915	0.7
99.00881	10.0
99.04486	1.2
101.02412	3.4
101.06078	100.0
102.06421	2.0
103.00366	2.1
105.00156	10.1
109.02924	1.0
111.00863	1.4
113.02451	28.9
115.00338	1.8
117.01951	3.2
119.03511	0.6
119.05023	1.6
121.02966	0.8
123.04530	1.2
128.03531	0.7
129.01945	1.7
131.03465	1.6
134.52419	0.6
135.04535	3.6
135.05388	0.6
137.02411	0.9
139.00310	0.8
143.03464	1.2
155.03496	0.5
157.01443	0.7
159.04524	0.7
160.01347	0.7
161.02483	2.9
163.03960	1.6
163.11336	0.7
164.99911	0.6
173.04532	1.4
175.02429	1.9
179.03525	1.2
179.05579	1.9
181.05058	1.1
187.07686	1.1
193.03455	1.4
205.07150	0.7
209.11827	9.9
227.03474	1.7
227.12860	6.7
231.04994	1.5
237.05521	0.6
249.06143	11.8
251.07187	1.1
261.04602	0.6
267.06940	1.6
267.09705	0.7
333.11880	5.7
334.12186	0.7
351.12930	95.9
352.13196	6.8
355.07239	0.6
377.05438	0.9
382.18637	0.7
389.15814	0.7
410.76968	0.7
422.21970	0.8
439.12805	35.5
440.13354	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	439.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50574	0.5
57.50210	0.5
59.01380	5.7
61.98830	100.0
62.98536	1.0
63.99273	0.7
64.95280	0.5
68.99568	19.5
69.46123	1.1
69.46533	2.5
71.01373	0.8
72.99307	35.0
77.14900	0.5
78.98616	0.7
85.02957	0.7
87.00878	0.6
93.03501	1.1
96.96006	6.2
96.96962	1.2
97.06605	4.4
98.20632	1.0
109.02931	1.0
112.98566	26.3
117.03472	5.5
119.05026	7.8
120.99628	1.0
121.02967	3.3
123.04536	3.2
128.72247	0.6
133.03000	1.4
134.03748	2.1
135.04521	7.7
137.02466	2.0
145.02948	19.4
146.03705	0.9
147.04565	0.6
149.06126	0.6
150.03278	1.1
151.04060	0.7
158.03763	0.9
159.04463	2.7
159.08202	1.0
161.02458	1.4
163.04016	10.1
163.07690	1.1
172.05276	9.4
173.04636	1.0
173.06032	5.4
174.06850	2.2
175.04132	0.6
175.07625	2.7
176.04803	1.1
178.02705	3.0
179.03526	0.9
181.05058	21.5
182.05450	0.6
183.04579	2.3
184.05278	0.7
185.06207	0.7
187.04143	3.0
187.07635	67.4
188.07994	3.6
189.05588	1.1
190.06366	2.3
191.10802	1.1
199.03969	3.9
200.04756	2.0
201.05597	3.3
201.09335	2.1
202.06337	6.2
202.10094	1.2
203.07146	1.0
203.10736	2.7
204.04376	1.6
205.08745	2.1
213.09167	7.5
214.06389	0.7
215.07097	8.1
216.07687	1.1
219.10258	8.3
221.71678	0.6
227.03479	6.2
228.04250	3.9
229.08797	2.4
231.06667	2.2
231.10220	16.4
232.10565	1.4
246.05060	0.9
247.09833	1.2
251.07080	1.1
252.07442	1.1
252.95876	0.6
253.07912	1.0
257.08176	30.4
258.08453	2.7
275.09232	12.6
275.11942	0.9
293.10309	39.2
294.10583	2.8
315.30789	0.5
325.07205	3.9
352.31339	0.6
375.27466	2.7
376.27838	8.1
389.16144	0.7
395.11380	0.7
407.17392	1.1
439.14111	2.5
458.29099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.14
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50574	0.5
57.50210	0.5
59.01380	5.7
61.98830	100.0
62.98536	1.0
63.99273	0.7
64.95280	0.5
68.99568	19.5
69.46123	1.1
69.46533	2.5
71.01373	0.8
72.99307	35.0
77.14900	0.5
78.98616	0.7
85.02957	0.7
87.00878	0.6
93.03501	1.1
96.96006	6.2
96.96962	1.2
97.06605	4.4
98.20632	1.0
109.02931	1.0
112.98566	26.3
117.03472	5.5
119.05026	7.8
120.99628	1.0
121.02967	3.3
123.04536	3.2
128.72247	0.6
133.03000	1.4
134.03748	2.1
135.04521	7.7
137.02466	2.0
145.02948	19.4
146.03705	0.9
147.04565	0.6
149.06126	0.6
150.03278	1.1
151.04060	0.7
158.03763	0.9
159.04463	2.7
159.08202	1.0
161.02458	1.4
163.04016	10.1
163.07690	1.1
172.05276	9.4
173.04636	1.0
173.06032	5.4
174.06850	2.2
175.04132	0.6
175.07625	2.7
176.04803	1.1
178.02705	3.0
179.03526	0.9
181.05058	21.5
182.05450	0.6
183.04579	2.3
184.05278	0.7
185.06207	0.7
187.04143	3.0
187.07635	67.4
188.07994	3.6
189.05588	1.1
190.06366	2.3
191.10802	1.1
199.03969	3.9
200.04756	2.0
201.05597	3.3
201.09335	2.1
202.06337	6.2
202.10094	1.2
203.07146	1.0
203.10736	2.7
204.04376	1.6
205.08745	2.1
213.09167	7.5
214.06389	0.7
215.07097	8.1
216.07687	1.1
219.10258	8.3
221.71678	0.6
227.03479	6.2
228.04250	3.9
229.08797	2.4
231.06667	2.2
231.10220	16.4
232.10565	1.4
246.05060	0.9
247.09833	1.2
251.07080	1.1
252.07442	1.1
252.95876	0.6
253.07912	1.0
257.08176	30.4
258.08453	2.7
275.09232	12.6
275.11942	0.9
293.10309	39.2
294.10583	2.8
315.30789	0.5
325.07205	3.9
352.31339	0.6
375.27466	2.7
376.27838	8.1
389.16144	0.7
395.11380	0.7
407.17392	1.1
439.14111	2.5
458.29099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13765	1.2
57.03446	8.1
59.01376	11.9
61.98827	7.6
66.41061	1.2
70.70811	3.3
71.01385	5.0
73.02939	2.2
78.95908	11.4
79.95742	2.6
83.01385	1.6
84.95084	1.5
85.02902	2.9
89.02442	3.6
96.96010	100.0
96.96936	21.2
99.04506	8.7
101.02454	5.9
119.03510	2.1
120.01311	1.4
123.04523	17.8
124.04819	1.6
125.02435	3.0
128.03523	1.2
135.04503	4.6
146.08302	1.7
148.99847	1.2
153.05569	32.6
154.05957	1.9
161.31003	1.2
173.04433	1.2
179.03459	1.2
180.04036	1.2
195.06528	1.9
254.23465	1.2
277.12384	2.7
295.13910	2.7
322.36353	1.2
357.11627	1.7
405.86310	1.4
428.75851	1.6
439.17377	19.2
440.18063	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78236	1.5
57.03447	100.0
59.01377	97.8
61.98816	5.2
68.60676	1.2
70.21653	1.2
70.36443	1.9
70.36790	4.0
71.01376	20.8
72.99329	1.9
73.02941	7.7
74.94936	1.4
78.95905	11.2
79.95705	2.4
81.03445	2.6
83.01386	5.3
85.02949	7.9
87.00890	2.0
89.02435	4.0
95.01350	1.8
95.70492	1.2
96.96008	95.9
96.96932	24.7
99.00878	2.8
99.04517	86.4
100.04827	2.2
101.02435	38.4
106.74524	1.4
111.00852	1.9
113.02438	10.0
119.03506	1.9
125.02446	31.0
128.01826	1.6
135.04475	2.6
143.03532	3.4
146.08217	3.5
149.17668	1.3
156.73120	1.5
159.02963	1.7
161.02550	1.6
161.04555	6.4
165.01852	2.2
179.03586	1.3
217.04776	3.8
221.11858	2.8
245.42386	1.4
251.08795	1.3
264.71600	1.4
277.12320	3.9
295.13950	25.7
296.14178	2.0
298.31488	1.3
337.14914	8.3
365.14532	2.2
377.18063	2.0
401.18195	1.9
439.18283	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62523	0.4
59.01378	100.0
60.01716	0.8
61.98829	8.5
63.99265	0.4
69.35742	1.6
69.36170	1.9
71.01377	1.0
72.99311	2.8
77.64599	0.4
78.95918	0.5
78.98609	1.2
95.05013	0.4
96.96002	5.9
96.96968	0.8
101.02499	0.6
109.02942	0.7
117.03481	0.9
119.05072	1.7
123.04541	0.5
127.02024	0.4
133.02988	1.2
134.03737	0.8
135.04549	2.5
135.17438	0.4
140.90883	0.4
145.02953	2.5
145.28960	0.5
147.04552	0.6
150.03230	0.6
156.55109	0.5
161.02489	2.2
162.03224	0.7
163.00745	0.4
163.04080	1.5
173.06113	0.6
174.03226	0.5
178.02711	0.6
179.03571	1.1
181.05116	0.6
187.07703	0.9
213.09215	1.0
215.07135	0.6
217.12439	0.5
219.10234	0.5
231.10326	1.3
235.13483	1.2
237.05708	0.6
251.07187	0.7
252.07634	0.8
253.08043	1.0
257.08319	1.4
266.06201	0.6
267.06851	0.5
275.09198	0.6
282.05457	0.9
293.10416	2.0
297.07672	0.7
331.87708	0.5
389.16418	0.6
396.28201	0.5
429.73132	0.4
439.14487	0.5
439.23950	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01699	0.8
59.01371	5.3
61.98827	10.9
66.50169	0.8
70.70775	1.7
71.63095	0.7
72.51404	0.8
72.99298	1.8
75.00859	1.0
89.02409	2.1
91.04000	14.3
96.96011	2.0
100.72789	0.9
112.98587	1.6
117.03452	2.4
119.05020	10.5
133.02922	2.7
134.03717	2.1
135.04538	1.3
145.02966	10.0
150.03323	1.0
151.04041	3.4
161.02428	2.7
163.03941	4.5
171.10280	0.9
178.02687	2.8
179.14511	1.5
195.13876	7.8
205.12355	1.0
209.11783	1.1
211.13382	7.9
223.13348	5.4
227.12787	2.3
235.13248	1.1
235.17046	1.8
235.38916	0.8
249.14847	1.1
254.09477	1.5
256.12994	1.2
275.20126	8.6
293.10315	1.9
293.21222	100.0
294.21442	6.3
421.25638	1.9
439.26859	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1394
Annotation	Pubescenoside A
Peak:m/z	Relative Intensity
55.01861	1.6
57.03440	4.9
59.01378	24.0
61.90610	1.0
61.98826	6.9
62.83497	1.0
67.01882	2.6
68.99816	1.3
69.03448	1.6
69.79311	1.1
71.01381	17.7
71.52255	1.0
72.99300	7.3
73.02959	4.5
75.00484	1.6
75.00874	23.1
75.63000	1.0
79.95712	3.4
81.03459	1.1
83.01366	1.5
83.07933	0.8
84.02148	1.0
85.02463	1.8
85.02946	26.8
85.72318	0.8
87.00871	8.8
87.04509	38.9
89.02440	4.9
93.03462	8.8
94.62555	1.0
95.01377	7.1
96.96013	21.8
97.06564	2.6
99.00269	1.2
99.00871	14.8
99.04509	1.9
101.02418	4.3
103.00344	2.9
109.02937	2.2
111.00870	1.6
113.02447	33.7
115.00332	2.5
115.92074	1.2
116.92814	1.0
117.01901	3.9
119.04965	2.9
121.02956	100.0
122.03250	2.5
123.00823	1.3
123.58566	1.1
125.02399	1.6
129.01897	2.8
133.02946	8.5
135.04474	2.6
135.08150	7.7
137.02432	1.4
139.49899	1.0
149.02383	3.2
150.03192	2.3
151.04053	2.0
155.03462	2.5
157.01370	1.7
159.04449	1.2
161.01163	1.6
161.02440	27.9
162.02774	1.3
163.03940	3.9
173.04550	20.5
174.04860	1.4
175.02504	4.6
179.03510	2.3
187.07579	1.7
191.05618	5.0
215.07019	1.5
231.04996	1.7
245.17575	1.6
249.06111	8.9
267.06573	1.2
283.08896	1.1
313.07040	2.4
316.10583	1.1
319.10364	6.6
337.08929	1.6
353.08557	1.8
371.09775	5.6
423.12439	1.2
441.14261	82.5
442.14810	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	441.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.4
57.03444	9.6
59.01378	100.0
61.98832	12.8
65.24584	1.4
69.03448	1.2
71.01376	31.8
72.92422	1.3
72.99295	2.8
73.02943	33.9
78.95902	4.4
81.03462	1.9
83.01388	9.4
85.02957	9.0
87.00869	5.6
89.02440	13.3
93.03452	3.7
93.74922	1.2
95.01394	4.2
95.05002	3.1
96.96014	2.9
97.02963	4.5
98.95564	2.0
99.00897	1.7
99.04519	3.2
101.02441	30.1
107.05036	2.2
108.02138	3.1
109.02947	8.1
109.06547	1.8
111.04510	8.8
113.02454	11.9
115.92136	1.2
119.03503	5.6
119.05028	1.5
121.02928	2.7
121.06600	10.2
122.03737	3.7
123.04522	4.3
124.05302	1.7
125.02418	2.4
125.06090	3.7
129.95946	1.3
131.03510	3.1
133.06606	2.8
134.03777	2.2
135.04532	5.1
135.08153	2.7
136.05147	1.6
137.06064	4.5
139.07683	12.0
143.03520	2.3
146.03671	1.5
147.04515	1.8
149.04578	2.2
149.06061	5.4
151.07620	2.6
152.01129	1.8
155.03561	1.5
158.07307	1.8
159.08173	5.6
161.02419	3.2
161.04553	8.1
161.06075	12.3
162.06839	6.5
163.07617	3.0
165.05559	1.6
167.07091	3.0
171.31102	1.3
173.04593	1.3
173.09714	4.0
175.07619	3.4
175.11270	21.5
176.08423	3.9
177.09145	11.8
179.05655	2.7
179.07137	6.6
186.06812	2.4
187.11264	1.8
190.09871	1.4
191.10815	7.7
193.05138	2.4
201.09225	24.6
201.11105	3.3
204.07947	3.4
205.12354	4.7
209.11804	3.5
219.10246	64.8
220.10564	4.3
237.11325	5.7
279.12418	6.1
363.14746	2.7
379.16040	2.0
381.15497	2.7
385.18781	3.1
399.16403	3.3
403.19864	3.2
424.17203	1.9
441.17505	16.5
442.17850	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	441.1764
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01867	1.0
57.03451	2.7
58.00577	1.3
59.01379	77.5
60.01698	0.6
61.98827	10.1
67.87960	0.3
69.03461	1.9
71.01377	40.1
71.51350	0.5
71.51708	0.3
72.01714	0.4
72.98122	0.3
72.99307	1.5
73.02943	70.4
74.03278	0.7
75.00845	0.8
81.03458	0.5
83.01385	18.5
83.04984	0.3
84.01715	0.3
85.02946	4.5
87.00881	1.3
89.02441	6.8
93.07094	0.6
95.01384	1.0
97.02948	1.1
98.58897	0.3
99.00890	1.0
99.04521	1.8
101.02438	47.6
102.02788	0.8
113.02452	10.3
114.02747	0.3
119.03470	2.2
121.06599	0.5
123.04549	0.8
125.02435	3.1
127.04011	0.4
131.03497	3.6
135.04489	0.8
137.06041	0.3
143.03473	3.1
149.04535	2.9
151.75587	0.3
153.05571	0.7
155.03522	1.5
159.08144	1.3
160.08914	1.5
161.04543	8.0
162.04842	0.3
173.09671	0.7
175.11267	22.7
176.11615	1.3
179.03506	0.6
193.12303	1.3
203.05467	0.5
205.12241	0.7
219.10266	6.1
220.10645	0.3
221.06561	0.7
277.12692	0.3
279.12274	1.2
321.26047	0.4
355.17575	1.0
379.15927	1.5
381.15591	0.6
399.16446	1.2
441.17615	100.0
442.17905	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	441.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.9
61.98831	17.3
68.99570	100.0
70.99618	5.3
80.96548	1.9
96.96028	2.0
98.36575	1.9
99.92622	2.2
112.98566	98.2
116.92873	2.4
117.85462	2.0
119.05011	2.3
133.90707	2.3
139.35130	2.0
145.02985	3.8
146.03285	2.6
153.74933	2.3
157.30565	2.0
161.02525	2.4
256.68890	1.8
282.19635	2.0
351.17499	4.6
369.18729	5.5
389.51266	2.0
423.20480	2.3
423.26505	2.3
441.17142	9.2
441.22644	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	441.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37714	1.0
57.03452	1.0
59.01377	100.0
60.27693	1.1
61.98823	7.1
69.61238	6.4
91.04002	5.0
151.00726	1.0
161.02429	2.1
195.13905	8.1
211.13419	2.5
277.21796	7.4
289.18192	5.0
295.22760	65.1
296.23016	4.2
307.19083	4.6
344.16110	2.2
441.22751	2.3
469.92542	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.88383	1.4
61.98833	26.4
68.77084	1.0
73.42667	1.2
76.54453	1.1
96.96014	1.6
136.31287	1.1
146.74983	1.4
161.02454	1.4
169.30690	1.2
195.13893	3.1
277.21750	3.4
289.18094	6.8
295.22812	23.3
296.22968	1.2
307.19077	6.9
309.53403	1.3
423.21942	1.6
441.22565	2.5
449.44995	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98831	1.5
67.80513	0.6
68.69080	0.5
71.52612	0.8
127.95125	0.5
171.56171	0.5
195.69276	0.7
245.19069	0.7
258.17404	0.5
274.20203	0.6
289.18115	3.1
307.19110	2.7
441.23047	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	441.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01711	1.4
61.98846	0.8
64.31905	0.4
70.37659	1.3
91.59374	0.3
99.13985	0.4
100.20255	0.3
102.81281	0.4
135.17958	0.5
147.35172	0.4
168.66507	0.4
209.11868	0.8
238.09018	0.4
289.18115	3.4
307.19101	3.8
323.23218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.8
58.94248	0.6
59.01380	31.2
61.98829	100.0
62.87929	0.5
71.01389	6.0
73.02946	5.9
81.03487	0.6
83.01384	1.6
85.02953	2.0
89.02435	1.6
93.03471	0.7
99.04518	18.4
101.02444	11.0
113.02468	2.6
125.02451	5.9
137.02399	0.7
142.32124	0.6
143.03551	1.4
143.08658	1.2
147.98332	0.5
152.01166	0.8
159.11812	1.7
161.04604	2.0
175.11275	0.6
177.09251	0.7
203.10716	1.2
221.11806	5.3
235.11861	5.5
277.12775	2.9
317.16174	1.4
379.16068	10.8
380.16660	1.1
443.12836	1.0
443.19028	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	442.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.1
57.03448	19.0
59.01378	35.5
60.01703	1.5
61.98829	100.0
63.55895	1.0
69.21004	7.2
69.21414	2.4
71.01379	9.7
72.01702	1.1
73.02946	16.9
74.03283	2.5
83.01389	4.4
85.02910	2.1
89.02454	2.1
98.20734	1.4
99.04514	18.6
101.02445	17.8
101.57478	0.9
102.02771	2.4
113.02458	3.9
125.02449	7.9
137.02480	1.3
149.04575	1.3
154.36214	1.0
161.04546	3.1
175.11319	2.6
176.11624	4.2
220.10565	1.7
235.11740	5.0
256.93213	1.1
277.12979	2.9
379.16080	10.3
442.17993	21.4
443.18628	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	443.038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80733	0.4
59.01375	67.3
60.01717	0.6
61.98823	1.2
71.49942	0.6
87.86921	0.3
110.20181	0.3
114.98891	1.2
115.02505	9.0
116.98656	0.8
117.00437	6.1
136.82878	0.5
141.00455	0.6
156.93048	0.4
156.99918	2.9
157.03571	2.9
159.01483	90.6
159.97400	0.4
160.01619	4.7
183.01630	0.4
201.02538	27.7
202.02669	1.6
217.00549	1.6
241.00543	0.7
259.01608	4.4
283.01654	0.7
299.01132	0.9
301.02649	100.0
302.02795	13.4
317.00616	0.6
359.01727	0.9
401.02902	0.9
457.72632	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	5.1
59.01379	47.4
71.01380	31.1
71.12710	1.1
71.50558	2.0
72.46884	1.1
72.99306	1.5
73.02930	4.9
83.01392	2.3
85.02953	5.4
87.00880	5.0
89.02445	48.1
95.01366	1.6
101.02439	100.0
102.02737	1.5
106.31492	1.4
110.97041	1.3
113.02444	15.8
119.03492	15.4
130.08795	1.7
131.03514	1.4
143.03496	4.6
149.04596	1.8
161.04582	6.6
179.05598	19.2
206.57588	1.2
218.97206	1.3
222.51062	1.2
283.43985	1.3
294.40598	1.2
341.10864	89.8
342.11307	5.6
383.11865	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	443.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
57.03446	85.2
58.00573	2.5
59.01377	100.0
59.04543	1.0
61.98816	2.8
69.26463	2.4
69.26858	8.4
71.01378	45.7
72.99286	3.0
73.02946	24.6
75.00845	1.1
79.05510	1.3
81.03448	1.9
82.58193	1.1
83.01371	8.2
85.02940	8.8
87.00900	2.2
89.02444	36.3
91.22086	1.1
93.03451	1.3
95.01373	3.0
96.95930	1.1
97.06554	1.2
99.00871	1.5
99.04509	37.1
101.02435	48.6
101.03110	2.5
107.07598	1.1
109.02933	1.3
112.55269	1.0
113.02448	23.9
113.06073	2.1
119.03501	15.8
119.05009	18.7
122.03654	1.4
123.04545	7.6
124.27478	1.0
125.01552	1.5
125.02446	25.5
131.03470	3.2
135.04504	1.5
137.06128	1.8
141.05566	1.4
143.03482	7.0
149.04521	2.5
153.05524	1.4
155.03561	1.1
161.04541	10.1
161.09648	2.0
173.04506	1.4
179.05588	7.7
179.10713	6.1
203.10744	5.1
206.09305	1.4
209.11827	1.7
213.27382	1.2
221.11758	6.3
239.12749	1.2
255.02690	1.2
257.13040	1.2
281.10291	26.1
282.10468	1.3
299.11346	44.1
300.11871	1.8
341.12411	8.9
381.15527	2.3
381.20248	1.1
443.14737	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	443.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03447	52.2
58.00592	1.2
58.03779	1.0
59.01377	100.0
61.98823	1.9
69.03448	1.8
69.35557	2.0
69.35963	4.2
71.01378	40.4
71.02993	1.0
72.99300	2.6
73.02944	32.6
75.00842	1.0
79.05534	2.2
81.03452	2.0
83.01381	9.8
85.02946	10.1
87.00848	2.8
88.39329	0.7
89.02442	27.7
93.03473	1.0
95.01395	2.5
95.05035	1.2
97.06593	4.3
98.19907	1.4
98.20573	2.2
99.00877	1.3
99.04523	10.7
101.02438	49.5
102.02782	0.8
105.00150	1.2
107.05025	1.9
108.02158	1.0
109.02948	1.7
109.06593	2.1
111.72582	0.7
113.02441	17.0
113.06071	2.9
119.03523	12.6
119.05017	13.3
121.02971	1.2
123.04518	10.5
123.08124	1.2
124.01627	1.3
125.02452	5.4
126.56339	0.8
128.03526	1.0
131.03482	3.1
135.04506	1.5
137.02446	1.1
137.06071	7.8
139.03999	0.8
141.05562	2.6
143.03479	3.9
149.04536	3.0
149.05843	0.8
159.02969	0.9
159.06602	2.1
161.04584	8.5
161.09631	0.8
165.09198	2.2
173.04605	0.8
177.12837	1.9
179.05576	3.7
179.10814	3.9
181.05072	7.8
199.48840	0.9
203.10799	3.7
220.11067	1.3
221.11774	3.5
243.12219	1.4
249.11108	0.8
252.07869	0.9
267.07083	1.0
281.10318	1.6
299.11349	55.8
300.11670	3.7
341.12369	24.5
342.12692	1.6
355.07111	1.4
374.51697	0.9
381.15768	4.1
385.11160	1.1
401.18091	1.3
443.14392	4.8
443.19983	28.4
444.19614	3.3
465.83472	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01875	1.2
56.24041	0.4
57.03446	5.3
58.00583	0.9
59.01377	100.0
60.01711	0.6
60.99296	0.5
61.98826	2.0
65.03961	0.5
69.03456	1.5
71.01378	31.5
71.51791	0.4
72.99303	1.9
73.02943	27.3
75.00865	1.5
83.01379	6.9
83.05029	0.9
85.02944	13.0
87.00878	1.8
89.02440	16.8
93.03442	2.5
95.01382	3.5
95.01917	0.4
95.05001	0.5
96.96011	0.6
97.02970	1.1
99.00893	1.7
99.04507	3.3
101.02438	33.4
102.02768	0.8
108.02135	0.9
109.02931	0.8
109.06636	0.4
113.02447	23.3
115.04013	0.6
119.03509	7.0
119.05075	0.9
121.02899	0.7
123.04510	8.6
123.08130	1.0
125.02437	2.2
127.04013	0.7
128.03545	0.8
131.03503	4.1
133.02904	0.5
135.04509	1.1
136.04010	0.6
137.02449	4.9
137.06081	1.1
139.04002	0.5
143.03510	3.3
143.08664	4.7
149.04576	2.9
152.01219	0.8
153.02007	0.6
153.05566	16.0
154.05879	0.5
155.03532	0.7
159.11769	6.2
160.12183	0.6
161.04547	11.2
163.07642	0.5
165.09209	0.7
167.03496	0.8
173.04617	0.6
175.11250	1.2
177.12868	2.6
179.03546	0.6
179.05606	2.1
179.10773	0.9
181.04961	0.5
181.08655	1.3
195.06612	1.6
203.05624	0.7
203.10809	2.3
204.35555	0.5
209.11810	0.6
221.06747	0.9
221.11800	23.4
222.12161	0.9
233.06573	0.5
250.26169	0.5
272.34216	0.5
275.51624	0.4
299.11298	1.9
315.10739	4.1
341.12903	0.5
365.34293	0.6
383.17200	1.3
401.18188	1.1
425.15186	0.6
443.19202	56.2
444.19171	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03448	4.5
58.00585	1.3
58.10222	0.3
59.01377	75.0
59.89425	0.3
60.01699	0.7
69.03450	1.3
69.96331	1.5
71.01378	37.7
72.01717	0.7
72.02125	0.3
72.99309	1.7
73.02943	63.2
74.03280	0.8
75.00863	0.7
81.03452	1.0
83.01384	16.5
84.01727	0.3
85.02945	3.5
85.41154	0.3
85.88738	0.3
87.00876	0.6
89.02441	5.6
93.03468	2.2
95.01398	1.1
96.95975	0.4
97.02943	1.2
99.00872	1.1
99.04507	1.9
101.02436	38.7
102.02789	0.9
105.07190	0.4
108.02178	1.2
109.02982	0.4
109.06580	0.5
113.02441	8.6
113.03167	0.6
113.74996	0.3
119.03512	1.5
119.04971	0.4
121.06577	0.5
123.04501	0.3
123.08145	1.6
123.36576	0.4
125.02444	2.5
131.03477	1.9
135.04530	1.2
137.02435	3.2
137.09679	0.5
138.01968	9.7
138.03058	0.3
141.07089	0.4
143.03528	2.5
143.08656	21.0
144.09016	0.7
147.04501	0.4
149.04562	2.4
151.07655	0.4
153.05592	0.6
155.03488	0.9
159.11792	21.7
160.12140	1.0
161.04558	7.9
161.09711	0.5
165.09206	3.7
173.04640	0.4
173.09691	0.5
175.11281	2.5
177.12848	5.4
191.10780	0.3
203.05556	0.6
203.10796	1.3
221.11818	71.7
222.12170	4.1
235.08456	0.3
237.73842	0.3
239.12917	0.6
284.67432	0.4
323.87308	0.3
340.92084	0.4
383.16953	0.9
401.18140	1.2
443.19168	100.0
444.19540	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	443.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.2
57.03449	4.0
58.00585	0.6
59.01377	100.0
60.01704	1.4
69.03478	0.8
69.29785	0.4
69.57822	2.8
71.01380	28.3
72.99338	0.6
73.02943	21.1
77.27557	0.5
81.03456	0.7
83.01379	6.8
84.87080	0.6
85.02950	9.3
87.00873	1.2
88.98859	1.2
89.02445	8.9
93.03461	0.7
95.01366	2.5
95.05059	0.9
97.02973	2.2
99.00909	1.8
99.04515	1.3
99.92525	0.6
101.02437	21.0
109.06608	2.3
113.02447	14.3
113.70728	0.5
115.04125	0.5
119.03503	3.2
121.06606	2.2
122.03763	2.3
123.04543	0.8
124.05296	5.9
125.02460	1.2
125.06161	0.5
126.76844	0.5
127.04031	0.7
128.27776	0.6
131.03542	1.5
133.06601	2.1
135.04567	1.0
136.05278	1.0
137.06114	2.9
138.06908	0.7
139.07645	40.7
140.07967	1.3
143.03537	2.7
147.37158	0.6
149.04556	1.5
149.06038	0.6
149.09732	3.4
150.06882	2.3
151.07640	7.9
159.02940	1.1
161.04546	12.2
161.05878	0.9
162.04900	0.5
163.07677	1.3
163.55225	0.5
168.06467	1.1
168.07903	23.5
169.08496	0.7
173.04620	0.6
173.09763	1.5
175.07639	0.9
176.08444	1.8
179.05727	0.9
179.10759	2.7
191.05771	0.6
191.10757	19.1
191.12390	1.1
192.11107	1.2
203.10777	6.8
209.11807	5.2
221.11798	13.9
222.12173	0.7
239.12849	16.9
239.15144	0.9
240.13318	1.2
353.09061	0.7
353.15976	3.9
371.17258	1.2
383.17078	20.3
384.17615	1.4
401.18161	4.0
413.18344	0.7
443.18973	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	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
57.03443	3.2
57.18094	0.4
58.00587	0.9
59.01379	100.0
60.01685	0.9
69.03461	0.8
69.34523	2.2
69.34933	1.1
71.01382	14.5
73.02947	17.6
83.01390	4.5
83.05067	0.4
85.02953	3.5
89.02444	6.8
90.72072	0.4
95.01390	0.7
97.02967	0.7
99.00890	0.6
101.02441	15.2
101.03114	0.8
103.71774	0.4
108.64331	0.4
113.02452	7.5
119.03523	2.7
121.06606	0.8
123.08154	2.3
125.02497	0.5
131.03546	1.5
135.08153	1.0
137.06123	0.6
139.07678	1.0
143.03542	1.4
149.04579	1.5
151.07658	2.1
153.09210	1.6
155.03464	0.5
159.08156	0.4
161.04575	4.4
161.09747	0.8
165.09227	0.5
179.05641	1.0
179.10999	0.5
183.08167	0.4
190.29758	0.4
191.10826	1.2
193.12352	1.2
201.09355	0.7
203.10820	3.4
209.11835	5.3
221.11824	9.3
221.13788	0.8
222.12181	0.7
239.13000	1.3
327.20242	0.4
353.16068	0.8
383.17273	0.8
401.18210	0.6
416.34906	0.5
443.19202	3.7
443.25281	0.5
444.19678	0.6
446.64487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60089	0.6
55.01878	1.1
57.03457	1.6
58.00584	1.2
59.01377	100.0
60.01716	0.9
69.03455	1.0
69.30167	1.2
69.30571	2.9
71.01377	34.8
72.99332	1.1
73.02943	61.0
74.03281	1.0
75.00875	1.3
81.03468	0.7
81.87704	0.5
83.01381	15.1
83.47944	0.5
85.02944	5.4
87.00882	1.4
89.02435	9.6
90.55820	0.5
95.01394	1.7
97.02932	1.1
99.00890	1.8
101.02438	51.1
102.02820	1.0
109.06603	0.7
111.15025	0.5
113.02445	15.9
119.03493	4.1
121.06622	0.6
122.03736	1.0
125.02457	1.9
131.03503	4.0
135.04433	0.7
135.08174	1.1
137.06120	0.6
139.07655	3.0
143.03500	4.7
149.04543	4.4
151.07677	0.7
155.03487	1.7
161.04536	10.9
163.07611	0.5
168.07880	1.8
179.05664	0.7
191.10764	3.2
202.11629	0.6
203.05649	1.3
203.10710	2.5
209.11783	0.7
221.06715	1.0
221.11807	7.9
239.12932	1.2
351.17792	0.5
383.17032	1.9
401.18134	2.1
443.19141	22.8
444.19525	2.4
451.53668	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.192
Annotation	Ixerisoside I
Peak:m/z	Relative Intensity
54.89302	0.5
55.01876	0.8
57.03455	1.3
58.00586	1.1
59.01378	100.0
60.01701	0.5
69.03460	1.6
69.30563	3.5
70.31062	0.5
71.01380	27.6
72.01730	0.6
72.99326	0.8
73.02944	57.9
74.03297	0.5
75.00867	1.0
83.01389	16.1
85.02943	3.7
87.00883	2.0
89.02445	9.3
95.01371	1.2
97.02934	0.9
98.19968	1.1
99.00887	1.4
99.04522	0.7
101.02441	44.6
102.02797	0.8
113.02444	13.3
119.03500	3.2
119.04229	0.5
121.06585	0.6
125.02467	1.9
131.03497	3.6
135.08188	0.9
137.02434	1.0
139.07632	0.6
143.03461	3.2
149.04526	4.2
151.07623	0.8
155.03532	1.5
161.04543	9.6
161.05725	0.8
162.04956	0.6
163.07829	0.6
173.09639	0.6
179.10718	0.7
191.10762	3.3
203.05580	1.1
203.10851	1.6
203.86276	0.6
209.11813	0.7
221.06500	1.2
221.11806	7.2
222.12155	0.8
222.82195	0.5
239.12888	1.0
383.16943	1.4
401.18127	2.0
443.19189	26.3
444.19733	3.0
452.14008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	7.0
58.00588	0.7
59.01377	100.0
60.01702	1.2
60.99303	0.7
61.98827	0.8
66.76809	0.4
69.03442	1.0
69.75076	0.6
69.75484	2.2
71.01379	19.0
72.99311	0.8
73.02943	16.5
75.07960	0.4
81.03446	0.6
83.01379	4.2
83.05020	0.7
85.02943	5.9
87.00854	0.7
88.98805	4.6
89.02449	5.5
93.03465	0.8
95.01392	1.0
95.05010	0.5
97.02958	1.1
99.00875	1.2
99.04537	1.2
101.02445	16.3
104.40550	0.4
105.07072	0.4
107.05035	1.1
109.02927	0.5
112.50050	0.4
113.02453	10.6
119.03498	2.5
119.04991	0.5
120.99537	0.5
121.06587	1.0
123.04550	0.7
123.08147	2.3
125.02466	1.0
125.06140	0.6
128.03548	0.7
131.03516	1.0
133.06657	0.9
135.04523	1.5
135.08211	1.7
137.02431	3.2
137.06096	0.7
139.07623	2.3
143.03487	1.4
143.08661	1.1
148.05222	0.5
149.04526	1.4
149.09702	0.6
151.07652	4.5
152.01096	0.5
155.03461	0.6
159.11748	2.3
161.04546	5.7
161.09715	2.3
163.07629	3.8
165.09198	2.4
168.07935	0.6
173.09711	0.9
175.11327	1.0
177.09174	2.6
177.12706	0.8
179.05608	0.6
179.10814	2.8
185.09666	0.7
188.08453	1.9
191.10742	1.9
203.05733	0.5
203.10762	15.2
204.11143	1.0
209.11827	1.4
214.15521	0.5
221.11816	25.2
222.12192	1.5
226.62698	0.4
239.12872	10.2
239.15192	0.7
240.13316	0.6
245.13976	0.9
299.07773	0.7
299.11215	0.4
383.17047	8.6
384.17648	1.0
401.18057	5.0
443.13138	0.7
443.19247	16.7
443.24945	0.8
444.19510	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	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
57.03452	3.2
58.00592	0.4
59.01376	100.0
60.01709	0.9
61.98824	1.4
69.03436	0.7
69.75418	1.9
71.01376	13.1
72.01717	0.4
72.99313	0.4
73.02944	14.7
83.01385	3.5
83.05018	0.9
85.02954	3.1
87.00887	0.5
89.02437	4.9
95.01385	0.9
99.00885	0.8
99.04519	0.7
101.02438	12.3
107.05060	0.7
113.02452	7.5
119.03516	1.1
119.08682	0.5
121.06602	0.5
122.03749	0.5
123.08163	2.6
125.02450	0.8
130.67134	0.4
131.03522	0.8
133.06599	0.7
135.08148	3.1
137.06137	0.3
139.07623	0.8
143.03497	1.2
143.08704	1.3
146.07339	0.4
149.04559	1.0
153.09216	0.4
159.08139	0.7
159.11798	2.0
160.24884	0.3
161.04558	4.4
161.09714	4.1
163.07648	0.9
173.09656	0.4
175.11292	1.2
177.09201	5.4
177.12817	0.4
183.08185	0.6
185.09700	0.6
188.08403	1.3
191.10645	0.5
193.12442	0.4
193.68600	0.3
201.09250	0.7
203.10767	11.8
219.10283	0.4
221.11803	14.1
222.12228	0.7
239.12845	4.1
349.74203	0.4
383.17108	3.2
401.18179	1.4
443.19189	17.0
444.19681	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	443.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
56.24041	0.4
57.03446	5.3
58.00583	0.9
59.01377	100.0
60.01711	0.6
60.99296	0.5
61.98826	2.0
65.03961	0.5
69.03456	1.5
71.01378	31.5
71.51791	0.4
72.99303	1.9
73.02943	27.3
75.00865	1.5
83.01379	6.9
83.05029	0.9
85.02944	13.0
87.00878	1.8
89.02440	16.8
93.03442	2.5
95.01382	3.5
95.01917	0.4
95.05001	0.5
96.96011	0.6
97.02970	1.1
99.00893	1.7
99.04507	3.3
101.02438	33.4
102.02768	0.8
108.02135	0.9
109.02931	0.8
109.06636	0.4
113.02447	23.3
115.04013	0.6
119.03509	7.0
119.05075	0.9
121.02899	0.7
123.04510	8.6
123.08130	1.0
125.02437	2.2
127.04013	0.7
128.03545	0.8
131.03503	4.1
133.02904	0.5
135.04509	1.1
136.04010	0.6
137.02449	4.9
137.06081	1.1
139.04002	0.5
143.03510	3.3
143.08664	4.7
149.04576	2.9
152.01219	0.8
153.02007	0.6
153.05566	16.0
154.05879	0.5
155.03532	0.7
159.11769	6.2
160.12183	0.6
161.04547	11.2
163.07642	0.5
165.09209	0.7
167.03496	0.8
173.04617	0.6
175.11250	1.2
177.12868	2.6
179.03546	0.6
179.05606	2.1
179.10773	0.9
181.04961	0.5
181.08655	1.3
195.06612	1.6
203.05624	0.7
203.10809	2.3
204.35555	0.5
209.11810	0.6
221.06747	0.9
221.11800	23.4
222.12161	0.9
233.06573	0.5
250.26169	0.5
272.34216	0.5
275.51624	0.4
299.11298	1.9
315.10739	4.1
341.12903	0.5
365.34293	0.6
383.17200	1.3
401.18188	1.1
425.15186	0.6
443.19202	56.2
444.19171	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	443.2285
Annotation	Radiosumin B
Peak:m/z	Relative Intensity
55.01875	0.9
56.51473	0.4
57.03465	0.7
58.00595	1.4
58.49097	0.5
59.01379	63.6
60.01701	0.6
61.98838	1.3
69.03459	1.7
71.01379	36.9
72.01713	0.4
72.99300	2.5
73.02945	33.3
75.00877	0.7
83.01382	9.3
85.02948	5.2
87.00876	3.6
89.02446	8.9
95.01404	1.9
96.96051	0.8
97.02969	0.8
97.06595	0.4
99.00859	2.0
100.66377	0.4
101.02439	28.6
111.00907	0.4
113.02445	9.2
119.03517	3.1
119.04896	0.4
123.04523	0.6
124.01689	0.5
125.02457	1.9
131.03502	1.6
133.02985	0.7
134.03777	0.6
135.04532	0.9
143.03488	1.3
149.04520	1.0
161.02438	1.0
161.04573	1.8
167.10777	1.3
173.04520	1.2
173.05885	0.4
177.16501	0.9
178.02773	0.6
179.03586	0.5
184.88043	0.4
213.09163	0.9
221.15472	13.7
222.15924	0.5
239.16534	2.3
261.89944	0.4
327.21756	1.2
346.88010	0.4
383.20700	10.2
384.21246	1.2
401.21762	23.9
402.22177	2.4
429.12262	0.5
443.22830	100.0
444.23108	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86855	1.0
52.80110	1.0
59.01377	100.0
61.98827	10.7
69.55009	7.4
69.65050	1.2
78.28591	1.2
78.66080	1.5
125.09756	1.5
135.04483	4.6
175.27850	1.1
291.19629	5.8
309.20718	9.2
438.58456	1.4
443.24271	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62032	1.2
54.16965	1.0
59.01378	100.0
61.98831	9.9
67.02293	1.0
71.01384	1.2
71.52988	1.9
75.00860	1.4
106.52787	1.0
134.03743	1.9
135.04514	12.7
150.03207	1.2
161.02480	1.6
209.11818	1.6
275.00967	1.2
291.19638	5.3
302.76080	1.1
309.20721	11.5
333.87598	1.4
443.24509	6.5
458.60782	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	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01716	1.2
61.98830	7.4
64.68629	0.3
69.64574	1.8
75.00869	4.1
78.95890	0.3
119.79245	0.3
150.03259	1.2
160.61409	0.3
209.11891	1.2
275.80142	0.3
291.19629	2.7
309.20697	4.0
310.21121	0.4
360.41846	0.3
360.80798	0.3
443.24915	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01724	1.2
61.98831	7.1
70.70324	1.3
70.70692	1.3
71.01368	0.8
89.02463	2.2
91.04005	5.6
93.79021	0.7
96.96010	0.7
108.60437	0.6
111.08169	2.7
115.92104	1.0
169.12337	0.9
179.53564	0.8
197.11815	8.6
211.13498	1.2
242.64130	0.7
263.20389	0.9
291.19583	6.0
309.20673	15.8
309.24118	0.8
310.21155	1.1
383.12192	0.7
385.75204	0.7
443.24326	0.9
466.28323	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21706	0.5
59.01379	100.0
60.01726	0.7
61.98831	4.5
65.77570	0.6
69.78750	2.0
69.79167	1.4
70.06805	0.7
98.19978	0.8
102.46974	0.6
126.82661	0.6
209.11868	1.3
223.11913	0.6
268.55554	0.6
291.19717	3.0
309.20685	4.5
422.70438	0.9
443.20145	0.7
454.04050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	0.5
61.98826	2.6
66.12222	0.4
71.01389	0.4
71.52631	0.4
89.02464	0.6
91.04021	1.7
108.44602	0.3
111.08166	1.2
118.61456	0.3
164.64980	0.4
197.11827	4.3
291.19666	3.8
309.20685	8.6
310.21088	0.7
341.10654	0.4
433.60336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79199	0.4
56.68879	0.4
57.82734	0.4
59.01378	100.0
60.01706	0.8
61.98831	1.1
70.26962	1.4
75.97764	0.4
81.39916	0.4
83.05054	0.4
89.02464	0.6
91.04016	3.4
92.67152	0.4
96.96033	0.5
99.92564	0.5
111.08189	1.7
121.02979	0.5
134.67436	0.4
169.12462	0.4
197.11835	4.8
211.13489	0.6
221.13885	0.5
222.66110	0.5
287.52502	0.4
291.19699	4.7
300.60291	0.5
309.20718	10.2
310.21146	0.5
332.24323	0.5
355.60083	0.4
405.65482	0.5
409.33279	0.5
443.24463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	23.8
59.01381	100.0
61.98832	80.1
63.76648	2.3
71.01382	24.9
71.50594	2.6
72.01741	3.5
72.99331	2.9
73.02938	15.3
75.00858	3.2
77.25364	2.4
77.63613	2.5
83.01387	7.5
85.02966	6.1
89.02444	9.5
96.95988	5.5
99.04522	25.4
101.02433	27.0
113.02453	10.6
125.02419	13.3
128.03490	2.9
139.03992	9.6
143.03490	3.4
161.04535	7.1
175.11258	3.3
192.68558	2.4
223.13383	3.6
237.09734	13.8
279.10785	8.0
380.72980	2.5
381.14108	25.9
382.14175	2.8
385.18594	5.8
444.19724	5.4
445.19638	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	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78237	1.0
59.01381	4.2
61.98829	100.0
66.41766	0.6
70.82212	0.7
71.52357	1.2
116.67677	0.8
135.04474	1.6
136.04868	0.8
144.58099	0.7
145.73653	0.8
161.02454	1.5
200.04692	0.8
267.21475	0.8
310.21249	1.5
314.43546	0.8
370.47150	0.8
372.73996	0.7
382.54684	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.0
61.58285	0.5
61.98829	100.0
62.62613	0.4
71.52555	0.5
76.69840	0.4
78.77549	0.4
89.03654	0.4
107.59294	0.5
127.00247	0.5
135.04570	0.7
152.99638	0.5
161.02493	0.5
190.04175	0.4
224.31204	0.4
310.21140	0.6
317.37848	0.5
346.43155	0.5
379.72095	0.6
444.24680	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98829	100.0
65.19763	0.5
69.17670	4.9
70.50720	0.4
74.98256	0.5
78.95893	0.7
99.87344	0.6
102.05617	1.0
110.70635	0.5
128.03548	0.7
133.02974	1.5
152.02777	0.5
160.63570	0.5
161.02429	6.2
181.78038	0.5
203.07040	0.6
211.13393	4.3
233.11653	1.3
267.52985	0.5
409.13071	0.8
444.24469	1.6
445.25134	0.8
448.12256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.9
61.98829	100.0
65.19763	0.5
69.17670	4.9
70.50720	0.4
74.98256	0.5
78.95893	0.7
99.87344	0.6
102.05617	1.0
110.70635	0.5
128.03548	0.7
133.02974	1.5
152.02777	0.5
160.63570	0.5
161.02429	6.2
181.78038	0.5
203.07040	0.6
211.13393	4.3
233.11653	1.3
267.52985	0.5
409.13071	0.8
444.24469	1.6
445.25134	0.8
448.12256	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17085	0.9
57.02216	0.9
59.01407	0.9
61.98827	100.0
71.52980	1.3
78.95915	2.7
94.62348	0.8
110.98518	1.9
162.37730	0.9
167.01173	1.0
177.91464	0.9
185.02126	1.8
190.26274	0.9
233.40681	1.0
260.77676	1.0
275.00989	0.9
277.21701	26.5
433.53027	1.0
445.23468	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	445.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47152	1.1
55.01579	1.2
57.02042	1.1
59.01377	16.7
69.33049	8.0
69.33452	2.8
71.01378	3.0
75.00870	53.7
89.02444	3.9
98.20697	2.4
103.00367	100.0
104.00728	1.4
104.03555	2.2
113.02446	1.8
152.78113	1.1
179.05597	2.5
261.67038	1.6
341.10870	8.4
467.40405	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44881	1.2
57.12191	1.2
59.01380	10.9
71.01376	2.7
71.50365	2.6
75.00866	62.6
76.41921	1.3
78.45621	1.2
89.02472	3.0
101.02457	2.1
103.00369	100.0
104.03546	1.6
104.14773	1.2
119.03494	2.9
126.49157	1.2
128.58775	1.3
179.05553	1.4
262.63266	1.2
341.10855	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	445.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66830	0.6
59.01380	100.0
60.01719	0.8
61.01799	0.7
61.98836	5.6
69.89746	2.5
78.95911	4.1
79.83354	0.7
86.29023	0.7
96.96984	0.7
133.02951	0.8
149.00104	6.3
150.03242	0.8
152.99574	0.9
161.02509	1.8
196.56015	0.7
205.15915	5.3
221.24805	0.7
233.41432	0.7
262.65137	0.7
311.22391	1.4
355.16757	20.4
356.17249	2.0
385.13608	1.2
385.17944	13.1
445.20068	2.2
445.25635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
57.03452	4.8
58.00592	0.5
59.01378	100.0
60.01715	1.2
61.01800	0.4
61.98843	0.4
69.03465	1.2
70.82950	0.7
71.01379	17.9
72.58431	0.3
73.02945	11.9
81.03494	0.4
83.01377	3.6
83.05024	2.0
85.02953	5.4
87.00880	0.8
89.02437	7.1
95.01379	2.2
97.03005	0.4
99.00882	0.8
101.02439	12.0
105.07079	0.9
113.02450	16.0
114.02755	0.4
119.03530	2.2
121.06554	0.3
123.08157	1.3
125.02456	0.5
125.06084	0.6
131.03525	1.2
133.24899	0.3
135.08218	0.6
139.07649	1.6
143.03497	1.1
149.04575	0.7
153.09178	0.4
155.03662	0.4
155.08682	1.3
157.10239	1.5
159.08150	0.6
161.04553	4.7
165.09245	1.1
173.04573	0.4
173.09761	1.1
175.11270	9.5
178.40782	0.3
179.05646	1.4
179.80164	0.3
183.10107	0.4
205.12317	1.6
209.11865	0.5
211.13513	1.0
214.72983	0.3
223.13383	4.3
241.14438	3.9
385.18665	12.0
386.19153	1.1
398.07382	0.3
403.19751	3.5
445.14359	0.7
445.20642	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	100.0
58.03747	1.3
59.01375	93.4
61.98814	5.5
63.52051	1.2
66.26809	1.3
71.01379	18.1
72.99290	3.4
73.02943	8.6
81.03450	2.7
83.01381	3.5
85.02937	8.8
89.02435	4.9
96.95995	4.3
98.95583	3.4
99.00843	4.8
99.04514	84.6
101.01797	2.7
101.02434	36.0
109.02928	1.5
113.02422	6.7
118.98058	1.7
119.04967	1.7
121.02964	3.6
123.07119	1.3
125.02427	27.0
133.02904	1.8
135.04482	3.4
143.03522	3.2
149.02405	1.8
159.02885	2.0
161.02406	2.9
161.04510	8.7
173.04521	4.2
179.03493	1.7
181.06625	1.3
209.11810	3.3
283.52509	1.3
301.16510	26.5
324.84659	1.5
343.17551	5.4
357.09549	1.7
373.25757	2.4
383.20770	2.3
445.10831	3.2
445.17447	5.8
445.21381	8.9
445.26688	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08755	0.3
55.01890	0.5
57.03453	1.2
58.00592	0.5
59.01379	100.0
60.01717	0.7
61.98822	2.0
70.52524	0.9
71.01380	11.6
72.99305	1.8
73.02958	3.6
73.06859	0.3
75.00867	0.4
79.46292	0.3
80.02682	0.6
81.03470	0.7
82.44038	0.3
82.95445	0.3
83.01395	1.4
83.05034	2.3
84.95125	1.1
85.02948	3.2
87.00877	2.1
89.02448	11.5
89.10687	0.3
93.03458	0.5
95.01392	0.7
95.05051	0.7
96.96030	1.0
99.00896	0.6
99.04525	0.5
101.02435	8.9
108.02196	0.4
111.00877	0.7
113.02448	5.9
115.00425	0.5
119.03497	6.1
119.05002	0.6
123.04533	0.4
125.02449	0.7
125.05997	0.3
129.01926	0.3
131.03508	0.6
133.02927	0.8
134.03729	0.5
135.04529	2.4
137.02484	0.3
138.01947	3.2
139.02325	1.1
143.03514	1.4
149.04546	0.5
149.09662	0.3
153.09123	0.4
158.24527	0.3
159.02977	0.5
161.02472	2.1
161.04527	3.2
163.11278	1.8
165.12820	0.9
173.04559	1.1
173.05995	0.4
176.08292	0.4
179.03465	0.7
179.05640	3.5
179.10832	1.7
184.25687	0.3
187.11293	2.4
190.10161	0.3
191.10721	0.5
204.11598	0.6
205.12283	2.8
209.11819	56.7
210.12151	2.8
223.13376	2.3
233.11803	1.4
239.12918	0.4
241.14412	0.4
253.09258	7.4
259.13443	0.8
267.06699	0.3
269.04596	2.1
277.14474	1.5
283.11798	1.4
354.05170	0.5
385.18735	3.2
386.19217	0.4
394.45248	0.3
403.19720	1.3
422.54132	0.3
445.08139	0.5
445.15472	0.6
445.20734	9.6
446.21265	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2228
Annotation	Palliferin
Peak:m/z	Relative Intensity
59.01380	47.7
61.98830	24.0
66.47520	1.0
69.16299	9.4
78.95885	1.4
93.44498	1.2
111.00887	1.4
119.04962	1.3
121.02901	1.3
121.10251	1.5
125.09689	3.5
133.02916	4.4
134.03702	2.3
135.04448	1.8
137.02400	2.6
139.11319	1.2
146.03677	1.9
147.04472	3.0
149.06056	2.1
150.03186	3.0
152.99545	2.4
158.03670	2.5
159.04492	6.7
160.01662	1.4
161.02444	79.1
162.03206	5.5
163.04019	8.4
164.66635	1.1
171.10220	3.7
172.05257	3.6
173.06073	2.0
174.03221	8.2
175.03999	85.1
176.04404	5.3
177.01978	5.5
177.03185	1.3
182.02036	1.7
183.04414	1.2
184.05182	1.6
185.05896	1.3
186.03188	1.2
187.03951	4.6
187.09741	1.8
188.04741	1.1
189.05507	1.3
191.10689	1.1
194.02252	6.1
196.05121	1.8
197.06027	5.9
198.06796	2.5
199.03946	1.8
199.07655	1.5
201.11285	1.7
203.03403	4.2
205.05035	2.3
208.03722	1.8
209.06024	1.9
211.04007	2.8
211.07591	4.1
212.04797	13.7
212.08278	1.8
213.09123	6.0
213.11269	3.1
215.12894	7.1
225.05612	7.9
225.09093	4.0
227.10777	44.7
228.11028	2.6
229.08559	2.7
229.12228	3.1
233.04555	1.6
239.07056	1.4
239.10741	2.4
240.11665	1.1
245.11682	2.4
245.15439	2.4
251.07059	2.8
255.10257	13.4
256.10831	1.4
280.11053	13.9
291.12216	1.2
335.22168	1.5
353.23257	12.6
354.23438	1.6
358.13950	1.7
359.14734	3.2
363.19601	1.6
365.20865	2.1
381.20438	1.5
385.25906	1.3
391.19147	8.6
409.20111	14.8
410.20233	1.5
427.21213	94.3
428.21588	10.6
445.22083	100.0
446.22446	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	445.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01720	0.4
61.98825	2.8
67.86325	0.4
69.82913	1.5
69.83327	0.8
78.95909	3.9
85.92117	0.4
89.02441	0.7
91.03997	2.4
96.95996	0.9
113.14402	0.5
135.04504	1.1
152.99577	7.1
171.00647	0.6
171.92307	0.4
197.11908	0.7
211.13397	0.8
258.77707	0.5
287.79352	0.4
293.21164	1.3
311.22275	15.3
311.25836	0.9
312.22644	1.3
313.06915	0.5
386.41660	0.5
427.75043	0.5
445.21658	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79187	0.5
53.86967	0.4
59.01377	100.0
60.01697	1.1
61.98828	1.4
67.79256	0.5
70.27163	1.5
78.95919	0.9
85.79606	0.5
87.82488	0.5
89.02422	0.7
91.04008	5.1
96.96028	0.9
99.96119	0.5
118.59538	0.4
124.49454	0.4
125.14226	0.5
127.75798	0.4
133.66721	0.4
152.99590	0.9
185.78488	0.5
197.11888	0.7
211.13460	2.0
250.13255	0.5
293.21329	1.9
311.22247	19.0
312.22705	1.7
455.30322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01699	0.7
61.98829	19.1
71.01357	0.9
71.51701	0.8
78.95911	0.9
89.02474	0.8
91.03993	5.3
96.96014	1.8
96.96958	0.9
99.65134	0.7
112.98621	0.7
135.04471	1.1
135.54720	0.7
150.89120	0.6
152.99596	1.1
161.02486	1.8
183.13907	0.7
199.13319	0.6
211.13457	2.8
265.43201	0.6
293.21326	2.0
311.22263	23.4
311.25784	1.1
312.22824	1.5
331.78912	0.7
334.54074	0.8
364.95319	0.8
445.25360	1.0
458.73834	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04024	0.5
59.01379	2.6
61.98829	100.0
66.41568	0.5
69.25806	0.5
71.07677	0.9
73.62032	0.5
78.95908	2.6
112.15904	0.5
113.63479	0.5
121.08652	0.5
123.39499	0.4
126.87519	0.4
128.88469	0.4
130.91179	0.5
134.03790	0.5
136.01715	0.7
136.05106	0.5
152.99562	4.1
161.02466	2.8
162.02779	0.6
311.22275	0.6
312.22546	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.0
61.98827	100.0
70.58225	1.3
78.95918	1.0
129.92455	0.5
131.54446	0.4
136.01633	0.5
150.75958	0.5
152.99600	1.6
165.47420	0.4
192.72362	0.5
196.86594	0.5
214.10426	0.5
471.19958	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06987	0.6
59.01376	6.9
61.98830	65.3
65.44407	0.7
69.67899	2.9
69.68307	1.0
71.01380	1.0
72.99316	1.0
78.95905	52.0
96.96964	6.1
98.19995	1.5
102.05627	1.4
105.00072	0.9
119.05012	0.8
124.44964	0.7
125.42202	0.8
128.03557	1.6
135.04576	1.1
146.04591	1.1
147.32814	0.8
150.98061	2.5
152.99580	100.0
161.02449	1.2
163.51736	0.7
166.98132	0.9
171.00606	4.4
181.04988	1.6
199.60286	0.8
324.77554	0.8
383.42749	1.0
387.77740	0.8
421.77567	0.8
433.09940	0.9
446.25424	2.6
447.21249	14.4
447.26254	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	447.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54298	0.3
51.69017	0.3
57.03430	0.4
59.01374	11.2
61.98829	3.9
63.02380	0.3
69.50902	0.6
69.51300	1.9
73.02940	4.2
76.29302	0.3
83.01376	1.5
85.02942	0.5
89.02422	0.9
93.03461	0.5
95.01376	0.5
98.19855	0.3
101.02438	4.6
102.02744	0.3
107.01383	1.0
113.02456	1.8
119.03500	0.3
125.02414	0.5
125.09703	5.6
137.02396	0.4
147.04469	0.4
149.04538	0.3
151.00380	2.0
151.02322	0.3
151.07245	0.3
153.01846	0.4
158.38509	0.3
161.04538	1.1
161.11188	0.3
163.00322	0.4
164.01118	0.4
165.39345	0.3
167.05060	0.3
171.04604	0.4
174.03186	0.3
175.03931	0.4
175.39502	0.3
178.99838	0.5
183.04408	0.8
185.06174	0.3
187.03941	0.5
199.03938	0.4
209.11722	0.4
211.04041	1.6
213.05345	0.3
219.02946	0.4
225.14928	2.4
227.03473	62.5
227.35764	0.4
228.03828	3.6
229.05009	2.7
239.03334	0.6
241.04948	0.5
243.12373	0.6
255.02963	81.9
256.03586	10.5
257.04578	1.6
284.03235	67.8
285.03967	27.7
286.04434	1.7
327.05084	1.4
387.20035	1.6
447.09274	100.0
448.09583	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.6
61.98826	0.6
68.28281	0.4
69.34829	3.8
73.02946	0.7
77.40913	0.5
77.89124	0.5
83.01398	0.5
86.98230	0.4
95.36904	0.5
96.95985	0.4
100.41111	0.5
101.02431	0.7
107.01375	1.0
113.02425	0.5
117.03452	0.5
135.04530	1.0
139.35588	0.4
145.01411	0.7
151.00374	1.7
173.04591	0.5
174.03267	0.5
183.04492	1.2
187.03984	0.5
191.53386	0.4
211.03998	1.7
223.06122	0.8
227.03490	58.6
228.03876	4.0
229.04997	1.7
243.12367	0.8
255.02982	74.2
256.03589	11.4
257.04343	0.9
284.03256	68.9
285.03949	21.6
286.04294	1.1
327.05231	0.9
436.11478	0.5
444.64078	0.5
447.09296	100.0
448.09708	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	447.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.9
59.01380	23.4
61.98835	4.9
63.02405	0.7
65.00322	0.7
71.01386	3.7
71.51765	0.9
72.99299	6.7
73.02940	1.8
75.00873	4.2
83.01366	0.8
85.02934	1.6
88.98803	0.6
89.02410	1.1
93.03448	0.7
96.96014	1.5
101.02421	2.0
105.01924	10.2
107.01379	1.8
107.73608	0.5
108.02167	1.2
109.02953	1.8
113.02455	1.2
119.05011	0.8
121.02943	0.6
128.03517	1.3
133.01434	2.0
134.03770	0.6
135.00877	1.0
135.04521	9.3
139.03986	0.6
145.01352	0.9
145.02928	1.7
148.01648	1.2
149.02361	0.7
151.00356	6.6
153.01970	1.0
160.07362	0.5
161.02428	2.4
161.04478	1.1
163.00322	0.9
163.03969	0.9
164.01120	0.8
164.07195	0.7
165.09372	0.7
167.03467	1.0
173.04558	2.3
178.99857	2.7
179.03462	1.9
183.04619	0.6
197.11813	1.8
199.04010	1.8
201.01929	0.7
203.03520	0.7
211.13400	1.1
215.03444	2.5
216.04301	1.0
226.02667	2.1
227.03470	4.9
242.02200	2.6
243.02966	24.3
244.03268	1.5
245.04239	0.6
251.12898	0.9
254.02060	3.0
255.02965	17.9
256.03497	1.3
257.04565	4.6
270.01764	3.7
271.02457	64.4
272.02875	4.0
273.04150	0.7
284.03235	2.7
285.03992	8.5
286.04681	3.0
299.01886	3.0
300.02731	75.7
301.03415	23.3
302.03589	1.3
311.07690	2.4
314.04303	17.1
315.05130	3.1
387.19998	1.6
399.15848	0.8
417.17728	0.9
446.27628	1.4
447.09268	100.0
448.09647	7.8
472.55307	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
61.98821	0.5
62.96404	1.3
67.95452	0.2
70.26768	0.7
78.95902	39.0
80.09122	0.2
96.96971	2.0
97.23109	0.2
123.00871	0.2
139.50415	0.2
149.00093	17.3
152.99628	2.3
158.92557	1.3
163.04002	0.3
179.01151	2.5
205.15990	1.5
240.96776	0.3
267.11591	0.3
321.22363	0.3
363.14539	0.3
417.12308	1.0
431.10211	2.3
447.13397	100.0
448.13760	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	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.3
69.27928	4.0
72.99301	6.8
75.00861	3.3
80.69891	0.4
87.00876	2.2
88.30330	0.5
103.00374	1.4
105.01929	100.0
106.02278	1.5
114.41969	0.5
131.52620	0.5
237.02141	0.5
279.47403	0.5
341.10754	0.6
348.06943	0.5
358.26797	0.5
395.91522	0.5
405.49979	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69087	1.3
57.03433	2.0
59.01377	60.5
60.99305	3.3
61.98824	5.1
68.54002	1.5
70.37469	3.1
71.01378	20.5
72.99295	3.0
73.02938	9.4
81.28699	1.3
83.01388	2.8
85.02941	8.8
87.00880	4.6
88.98803	20.7
89.02457	7.3
99.00918	2.1
101.02443	12.7
105.01954	2.5
113.02444	6.5
119.03562	1.7
119.04958	2.1
135.04526	4.1
161.02420	2.9
161.04541	2.0
173.04549	2.2
179.03497	2.1
181.05008	1.8
181.12363	4.3
199.13422	5.9
211.13396	5.7
237.77371	1.4
243.16103	2.0
245.54773	1.5
255.03131	2.1
285.04025	1.8
285.16150	1.8
328.12149	2.2
343.17593	14.0
357.26453	1.6
361.18631	31.8
362.18707	2.2
375.27548	9.7
380.98849	1.5
387.20300	1.9
403.19714	100.0
404.19934	9.0
405.21390	2.6
447.09213	1.6
447.22229	12.2
448.22992	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	447.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47645	1.4
56.22485	1.5
57.03435	2.8
59.01378	53.0
60.99286	2.4
61.98812	3.9
69.25669	11.9
69.26084	3.0
71.01382	21.0
73.02946	10.4
78.96396	1.3
83.01389	6.1
85.02941	7.6
87.00875	3.0
88.98799	29.1
89.02487	7.2
93.03443	1.5
95.01351	2.5
99.00883	2.6
99.39893	1.4
101.02442	12.9
105.01927	2.4
109.64841	1.7
113.02448	5.9
119.03466	2.4
124.01662	1.5
125.02489	1.9
135.04509	5.3
161.02451	3.3
181.05054	2.0
181.12308	3.7
186.06508	1.6
199.13341	6.1
211.13353	7.0
255.02934	2.4
284.03186	2.1
308.81046	1.4
328.11679	2.1
343.17517	13.1
358.12729	2.6
361.18661	31.7
375.27441	9.5
376.82187	1.6
403.19702	100.0
404.20145	8.0
405.21103	2.3
447.08932	2.4
447.22089	9.5
447.27228	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28787	0.2
61.98825	1.0
62.96408	0.3
71.22284	0.5
71.74094	0.3
78.95904	53.0
79.42397	0.2
96.96966	5.7
112.00396	0.2
150.98027	1.4
152.99585	100.0
153.99944	1.1
167.10942	0.2
171.00648	4.3
233.21548	0.3
271.20639	0.4
293.21283	0.8
300.02866	0.5
315.19577	1.0
352.02692	0.3
358.06177	0.2
436.68280	0.3
447.21497	12.7
448.21991	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52674	0.4
58.23742	0.5
59.01382	3.6
60.25684	0.4
61.30452	0.5
61.98827	12.7
68.99598	0.5
71.52038	0.5
71.52462	0.6
78.95901	69.7
85.52547	0.4
96.95990	0.7
96.96957	5.8
112.98531	0.5
113.15157	0.4
126.02963	0.5
130.45976	0.5
150.97980	1.9
152.99580	100.0
153.91914	0.4
153.99988	0.8
156.70619	0.5
171.00604	2.9
211.13286	0.7
217.08549	0.6
251.20050	0.7
271.02533	0.9
276.32336	0.5
299.00378	0.5
300.02689	1.4
301.03522	1.2
447.08755	1.2
447.21335	21.0
448.21637	1.4
474.33044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08998	0.2
57.03445	0.6
58.00583	0.6
59.01377	100.0
61.98828	0.8
63.93446	0.3
67.34382	0.3
67.40699	0.2
69.52789	1.7
71.01379	10.0
72.99307	0.8
73.02950	1.4
83.01391	0.4
85.02943	1.8
87.00898	1.0
89.02443	17.3
95.01388	0.6
99.04527	0.6
101.02436	5.9
107.03516	0.3
113.02446	5.1
119.03495	6.3
125.02448	0.4
131.03534	1.2
141.91112	0.3
143.03432	1.5
149.04588	1.0
149.09688	0.4
161.04564	3.3
167.10796	0.5
179.05600	16.3
269.35114	0.3
273.75140	0.3
387.20517	1.0
388.20932	0.3
447.22610	1.6
448.22672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.24548	0.4
55.75262	0.5
56.30610	0.4
57.03447	1.1
58.00603	1.1
59.01377	100.0
60.01714	1.0
61.98829	3.2
71.01380	19.5
71.52103	0.4
72.57580	0.5
72.99294	2.2
73.02935	2.7
73.04090	0.9
83.01401	1.5
85.02946	4.6
87.00883	1.6
88.98827	1.3
89.02442	23.6
89.33383	0.3
95.01398	1.0
96.96039	0.8
97.75879	0.4
99.00893	0.7
99.04528	0.9
101.02441	13.4
105.01966	0.5
107.52303	0.5
113.02439	9.2
115.05160	2.4
116.92860	0.7
119.03500	11.9
125.02471	0.7
128.03560	0.4
131.03525	1.3
135.04515	0.9
137.09726	0.7
143.03502	3.2
148.04427	1.3
149.04570	1.0
149.77107	0.4
161.02431	0.6
161.04523	5.1
173.04439	0.4
179.05594	10.2
207.13977	0.5
211.13448	0.6
217.13972	0.5
224.13768	0.4
225.14969	2.6
226.15503	0.5
261.12894	0.5
274.16068	1.1
387.20236	25.5
388.20709	2.0
417.18008	3.0
429.18384	1.2
447.09744	0.6
447.18820	7.7
448.19135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.5
57.03447	4.3
58.00594	0.4
59.01377	100.0
60.01713	0.9
61.98825	2.5
64.85056	0.2
69.03445	0.6
69.68678	0.2
70.19718	0.7
71.01381	13.7
72.99297	0.6
73.02943	12.0
75.00871	0.4
81.03448	1.2
83.01388	3.0
83.05096	0.4
85.02953	3.6
87.00883	0.6
89.02444	5.3
95.01403	0.7
96.96053	0.4
97.02982	0.6
99.00904	0.7
99.04515	2.6
101.02438	12.0
109.06539	0.3
112.05303	0.8
113.02443	7.4
119.03490	1.9
125.02468	0.5
125.06118	0.3
125.09708	0.7
131.03552	1.0
134.07411	1.1
135.08176	0.9
137.09776	0.9
139.07671	1.5
143.03481	0.9
145.06250	0.7
146.04626	0.6
149.04591	0.8
149.09708	12.2
150.10062	0.5
153.09207	7.3
161.04541	3.2
167.10767	20.3
168.11140	0.9
171.10278	0.4
179.05659	0.7
197.04680	0.3
207.13962	0.6
209.11868	0.6
221.06686	0.4
225.14978	2.6
243.15974	3.5
287.57266	0.3
350.31570	0.3
387.20288	4.5
388.20712	0.3
405.21298	2.3
447.22519	2.4
448.22873	0.3
465.61414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81749	0.5
55.01878	0.9
57.03445	2.0
58.00614	0.7
59.01377	100.0
60.01707	2.3
61.01793	1.0
61.98824	3.4
70.52003	0.5
70.70876	1.4
71.01380	22.8
72.01719	0.7
72.99309	1.7
73.02944	9.5
76.99561	0.7
83.01389	3.7
85.02947	9.0
85.03456	0.5
87.00887	1.3
88.98792	1.2
89.02443	12.2
95.01394	2.9
96.95976	0.7
97.02990	1.1
99.00881	1.4
99.04517	1.4
101.02440	13.3
103.02966	0.5
105.01951	1.7
113.02446	18.9
114.02779	1.1
119.03493	3.6
125.02475	1.6
128.03560	0.6
131.03473	0.9
135.04570	0.8
143.03534	1.4
145.09799	0.8
149.02480	0.6
149.04507	0.9
149.09743	2.2
151.00388	0.6
153.09261	1.5
161.02481	0.8
161.04565	5.5
163.11363	0.6
167.10788	3.6
173.04567	1.0
175.11259	0.7
179.05653	1.4
181.04955	0.7
197.04358	0.6
198.41228	0.6
225.15041	1.2
232.46640	0.5
243.16037	3.1
255.03020	0.7
271.02570	0.8
300.02844	1.9
301.03622	1.5
313.17001	0.6
357.18896	0.6
369.19284	0.9
387.20215	26.6
388.20636	2.6
392.06711	0.6
405.21182	8.2
406.21609	0.8
447.09586	2.1
447.15417	0.6
447.22308	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	447.2595
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
50.36620	0.3
55.01870	0.9
57.03436	0.6
58.00584	1.0
59.01379	24.6
61.98821	1.7
71.01381	13.7
71.52288	0.7
72.99294	2.4
73.02950	1.2
78.95903	11.1
81.03454	1.0
83.01380	1.5
83.05024	5.5
85.02947	4.2
87.00862	1.6
89.02441	10.1
95.01386	1.1
96.96955	1.0
99.00864	0.6
101.02444	9.3
111.04551	3.6
113.02437	5.3
113.06076	0.9
119.03497	3.3
123.00882	0.5
125.06085	0.7
149.00089	1.4
152.99567	13.2
155.14427	5.4
161.02518	0.7
167.14398	0.5
171.00606	1.1
179.01131	0.4
183.17534	0.7
185.15387	0.5
199.17038	0.8
205.19519	0.7
209.19003	0.7
218.22664	0.4
221.19080	3.1
223.05144	0.4
223.20718	0.5
232.94548	0.4
237.95255	0.5
239.20152	1.0
244.34465	0.4
257.21201	1.3
267.19614	1.5
285.20706	22.3
286.21042	1.3
303.21805	1.8
327.21808	0.9
327.65396	0.4
345.13406	0.6
363.14178	0.8
374.71399	0.4
378.16974	0.9
447.13516	9.8
447.25998	100.0
448.13779	0.6
448.26321	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	447.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.58635	0.4
57.03441	1.7
58.00578	1.1
59.01380	25.9
61.98817	1.8
62.61584	0.5
63.84650	0.4
66.62480	0.5
69.03450	0.5
71.01381	15.7
71.04991	0.5
71.52352	0.5
72.99306	2.4
73.02942	1.7
75.00874	2.6
78.95898	1.6
83.01379	1.7
84.02163	0.8
85.02952	6.4
86.34782	0.5
87.00864	1.9
87.70834	0.4
89.02441	10.8
91.01906	1.0
95.01390	1.6
95.05017	0.5
96.96014	0.5
99.00863	2.1
101.02433	10.2
101.06075	11.6
108.02180	0.9
113.02445	6.9
113.06104	0.8
118.98076	3.4
119.03502	3.8
119.04956	0.8
123.04429	0.6
124.65605	0.5
129.01921	0.5
130.80817	0.4
132.02103	0.5
133.01950	0.6
133.02953	11.0
135.00896	0.6
135.04530	2.5
137.02496	0.7
149.02422	0.9
150.03212	1.0
151.04001	1.6
152.01109	1.0
152.99629	2.6
161.02437	30.4
162.02927	0.4
175.02359	0.6
179.05672	0.5
181.04997	0.7
181.15926	1.7
209.11722	0.7
215.06934	0.5
221.19054	1.4
239.20116	2.9
243.06615	5.0
249.06230	0.8
255.03073	0.6
267.19632	1.9
269.21228	0.6
271.02338	1.1
275.09164	0.7
281.21326	0.5
285.20703	30.7
286.21106	2.1
297.24738	0.5
300.02658	1.2
301.03403	0.6
313.07285	2.6
327.21622	0.6
330.97006	0.5
333.11914	0.5
350.27975	0.5
351.12964	10.2
447.19186	6.6
447.25925	100.0
448.19992	0.8
448.26355	10.0
466.23682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2597
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
51.36379	0.6
55.01265	0.7
56.05888	0.9
57.03458	3.2
58.00603	0.9
59.01382	23.9
61.98825	3.4
70.24992	0.7
71.01385	11.7
72.99311	2.0
73.02946	2.1
78.95882	2.0
83.01387	2.2
85.02947	2.9
87.00887	1.3
89.02453	9.6
95.01395	1.4
96.96013	10.6
96.96941	1.0
97.62885	0.6
99.04539	1.5
99.08136	4.3
101.02448	7.3
102.05612	1.3
102.25496	0.8
105.18511	0.8
111.00835	0.8
113.02440	4.8
118.98046	1.2
119.03478	2.4
119.05012	1.6
125.02458	1.0
128.03543	2.0
129.03835	0.8
134.03716	0.8
135.04453	1.7
139.11307	4.0
148.53209	0.7
149.02455	0.7
152.99585	1.6
161.02440	2.4
161.04546	0.8
161.27699	0.6
163.04019	1.2
173.04648	0.7
179.03468	1.0
179.16772	0.6
181.05046	2.8
211.13326	1.2
239.20174	1.1
243.19676	2.2
267.19711	1.2
269.21161	0.9
271.02380	1.5
281.21313	0.9
285.20728	28.8
286.21030	1.6
300.02811	2.5
301.03476	1.9
318.21475	1.9
327.21774	1.0
387.23431	1.0
400.62384	0.6
403.26987	0.7
405.24850	2.0
447.09537	3.4
447.25970	100.0
448.26257	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43446	0.3
53.67264	0.3
55.01881	0.5
57.03421	0.8
58.00591	1.0
58.26893	0.3
59.01381	21.3
59.38575	0.3
61.98823	1.9
69.03445	0.4
71.01379	12.1
72.99300	1.4
73.02943	1.2
73.19592	0.4
75.00867	0.5
78.95892	0.4
83.01392	1.0
85.02959	3.5
86.00089	0.3
87.00863	1.3
89.02444	10.2
89.03000	0.5
95.01347	0.7
97.04901	0.3
101.02438	8.5
101.92332	0.3
113.02460	4.2
113.09723	5.1
119.03493	3.5
119.05002	1.2
125.09721	6.3
127.11276	0.7
133.02959	0.4
135.04559	0.5
139.11237	0.4
141.12953	0.4
152.99600	0.9
161.02405	0.4
163.03998	0.9
179.05527	0.4
181.05078	1.8
198.22491	0.3
238.96355	0.3
239.20131	0.9
255.02881	0.3
265.29416	0.3
267.19595	1.0
269.21439	0.4
271.02484	0.8
281.21243	0.6
285.20694	29.9
286.21033	1.8
300.02832	0.6
301.03430	0.7
327.21756	0.6
330.02246	0.3
355.24844	0.9
405.24780	0.4
447.25961	100.0
448.26334	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	447.2597
Annotation	N-Acetyl-leu-leu-tyr-amide
Peak:m/z	Relative Intensity
55.92640	0.4
57.03448	0.7
58.00597	0.9
59.01380	27.3
60.01701	0.4
61.98819	0.8
65.23671	0.3
70.37337	1.0
70.37684	0.4
71.01382	14.4
72.99309	1.0
73.02941	1.3
78.95907	2.6
82.23499	0.3
83.01386	1.3
85.02956	3.5
87.00877	1.1
88.98774	0.5
89.02446	10.2
95.01400	1.1
101.02436	8.0
102.02773	0.3
111.08133	2.0
113.02459	4.5
119.03517	3.7
119.05011	1.1
127.11287	2.3
133.02972	0.5
135.04543	0.5
139.11293	0.4
141.12856	1.1
143.03543	0.3
152.99599	5.1
153.77414	0.4
161.02406	1.4
161.04623	0.4
163.03981	0.6
181.05023	2.2
191.70496	0.4
195.17731	0.4
203.18082	0.5
205.19630	1.9
221.19125	3.1
234.36140	0.4
239.20096	0.5
251.20290	0.4
267.19623	1.3
271.49081	0.4
285.20694	29.7
286.21057	1.9
322.57419	0.4
327.21820	0.9
355.24597	2.3
369.78891	0.4
447.25983	100.0
448.26343	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	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19821	0.2
56.12478	0.2
59.01376	8.7
60.01714	1.3
61.98827	100.0
62.26168	0.2
69.61927	0.8
69.62337	0.7
71.01377	0.7
71.12200	0.2
89.02463	0.6
90.25016	0.3
90.73136	0.2
101.02489	0.6
113.02396	0.3
120.27264	0.2
146.04572	0.3
161.04590	0.3
182.06175	0.2
208.14192	0.3
230.39462	0.3
265.14011	0.2
388.20432	0.5
446.44641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46502	0.6
57.03443	1.4
59.01376	72.3
61.92716	0.7
70.65340	0.6
70.99964	1.0
71.00273	0.6
71.01379	3.7
73.02946	4.5
83.01385	3.1
85.02922	0.9
89.02452	0.6
93.03452	4.1
96.86935	0.7
97.06613	0.7
99.04520	2.4
101.02466	3.7
109.06524	0.7
111.04513	0.8
113.02428	1.8
137.02422	3.4
148.07925	0.7
165.12813	1.5
167.03337	0.7
167.10771	0.6
173.04572	3.7
189.12880	1.2
191.05688	0.6
191.10745	0.6
207.13869	6.5
209.11803	7.1
225.14937	9.6
227.12875	46.2
228.13177	2.2
251.12909	3.4
269.13904	12.6
272.31079	0.7
272.56772	0.7
275.09222	1.2
287.14984	100.0
288.15323	5.9
293.13928	1.5
311.07712	0.9
311.14865	2.4
329.16016	8.7
359.17065	4.1
371.17303	0.8
389.18079	18.5
390.18393	1.8
449.10663	1.1
449.20206	18.6
450.20428	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	449.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01376	59.6
60.01704	0.5
60.99288	0.6
71.00015	1.0
71.01376	2.5
73.02936	4.4
83.01378	4.0
89.02430	0.7
93.03452	1.6
96.35945	0.5
99.04512	1.3
101.01364	0.6
101.02444	2.8
109.06625	0.9
113.02400	1.2
137.02422	0.9
165.12856	1.1
167.03416	0.6
173.04523	3.9
189.12762	0.7
207.13876	5.9
209.11835	6.6
222.96590	0.7
225.14943	8.5
226.15263	0.7
227.12871	38.9
228.13136	1.8
249.14958	1.0
251.12788	2.8
269.13919	11.0
270.14221	0.8
275.09222	0.9
287.14978	100.0
288.15302	5.6
293.13821	1.3
311.15088	1.8
327.06900	0.5
329.16046	7.9
359.17120	4.7
389.18127	23.1
390.18439	1.5
449.10794	1.0
449.20233	22.6
450.20578	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	449.203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	33.1
58.00589	0.7
59.01377	20.7
61.98833	2.8
67.01881	4.7
69.03452	1.2
69.85362	0.9
69.85773	1.9
71.01385	9.0
72.99305	1.2
73.02948	8.8
75.09937	0.5
78.95870	0.7
79.05516	0.7
81.03446	1.4
81.44041	0.5
83.01393	3.1
83.05030	1.0
83.90168	0.5
85.02964	2.6
85.03413	0.5
87.00850	2.6
89.02364	0.6
93.03458	27.1
94.03813	1.4
95.05001	0.6
97.02933	0.8
97.06589	1.3
99.04517	22.2
101.02438	12.4
109.02936	1.5
111.00897	1.2
111.04520	3.9
113.02425	2.9
113.06101	1.6
114.05606	0.7
119.05031	3.5
121.02922	1.3
123.04536	5.2
125.02435	14.2
133.02942	6.0
134.03740	9.3
134.56154	0.5
135.04512	9.8
137.02441	8.3
139.04008	2.1
141.05614	1.7
143.03502	2.7
143.10771	65.7
144.11102	2.0
149.02428	0.7
150.03252	1.3
151.04013	0.8
155.03473	3.7
156.06656	1.2
157.12340	4.9
161.02435	2.9
161.04576	1.6
162.03139	0.7
163.04008	1.6
173.04538	100.0
174.04865	3.0
177.01898	2.6
177.87434	0.5
178.02707	10.4
179.03484	4.5
181.05081	0.8
185.11800	1.2
187.07710	0.8
191.05661	2.3
203.05573	0.9
227.07100	0.6
229.08672	0.7
231.10243	1.7
254.80074	0.5
275.09314	5.0
278.57126	0.5
287.22113	2.1
296.65656	0.6
301.20331	1.1
305.08807	1.9
305.16000	1.2
307.08136	0.8
308.09027	1.1
347.17194	0.7
352.07941	7.8
449.14487	4.1
449.20386	1.6
449.27600	6.9
450.28091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22873	0.2
52.34919	0.2
57.61056	0.2
59.01383	0.3
61.98827	1.8
62.96412	0.4
69.40586	0.5
69.40986	1.3
73.22290	0.2
78.95900	73.0
80.96294	0.3
96.96959	5.4
142.79440	0.3
150.98010	1.6
152.99585	100.0
153.99930	1.9
154.99998	0.7
157.07024	0.3
164.46387	0.2
171.00644	2.9
173.04492	0.3
186.22882	0.2
195.13918	0.4
266.30777	0.2
295.22806	0.8
341.00232	0.2
375.14243	0.2
449.23065	28.7
450.23325	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	449.267
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25824	0.3
61.98798	0.4
78.95897	5.3
96.95991	0.4
103.28813	0.4
108.88522	0.3
110.98519	3.6
129.57782	0.3
152.99564	1.1
167.01144	3.0
185.02206	4.0
222.33777	0.4
281.24832	100.0
282.25180	7.6
410.06720	0.4
449.26688	11.0
450.27139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73595	0.3
54.47048	0.3
71.32744	0.5
74.16596	0.3
78.95900	4.6
110.98525	3.8
138.47122	0.3
152.99547	0.6
167.01099	1.9
185.02191	2.9
203.73590	0.3
281.24826	100.0
282.25189	7.7
449.26721	9.8
450.26880	1.1
457.23965	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05817	0.4
61.98822	0.6
63.61999	0.4
71.52163	0.7
78.95900	13.4
87.04051	0.5
90.07738	0.4
96.96030	0.7
100.32173	0.4
110.98522	8.8
114.82182	0.5
137.03116	0.4
152.99576	3.6
167.01132	9.2
185.02190	3.8
213.06023	0.4
233.64510	0.4
255.23401	2.5
279.23462	0.4
281.24823	100.0
282.25201	6.9
449.26682	23.4
450.26981	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	449.2753
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
52.56664	0.3
55.01883	0.4
57.03445	0.8
58.00581	0.9
58.42642	0.3
59.01376	22.7
59.39438	0.3
61.98536	0.5
61.98825	6.6
63.11576	0.3
69.83243	1.6
71.01379	13.2
72.99292	1.2
73.02912	0.8
75.64268	0.3
78.95898	12.2
83.01396	1.3
85.02952	3.3
87.00875	1.0
89.02444	10.5
95.01378	1.2
96.96939	1.2
97.06574	1.3
98.19938	0.6
99.00872	0.6
99.08154	0.9
101.02440	8.9
102.05601	0.8
103.05978	0.3
109.06575	0.7
113.02450	4.2
113.09774	0.4
119.03501	3.7
128.03490	0.5
141.12849	2.7
146.04570	0.6
150.97948	0.5
152.99577	17.1
153.99889	0.8
154.99985	1.0
155.14421	3.2
169.15964	0.4
171.00607	0.8
173.04526	1.1
179.05571	0.6
193.76991	0.3
211.20691	1.5
221.19041	0.9
223.20720	0.7
239.20113	1.9
241.21692	9.7
242.22192	0.4
255.23190	0.9
269.21225	0.8
271.22812	1.2
283.22672	1.0
287.22253	31.7
288.22522	2.0
314.49072	0.4
329.23465	1.0
419.95496	0.4
449.27551	100.0
450.27917	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	449.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63677	0.3
55.01865	0.6
57.03426	1.0
58.00576	1.1
59.01380	25.0
61.98827	1.2
65.10391	0.3
69.20535	2.2
71.01378	13.1
72.99318	1.5
73.02928	0.8
78.95889	1.4
81.01927	0.3
83.01377	1.4
85.02944	3.5
87.00874	1.3
89.02441	12.3
95.01367	1.1
99.00873	0.6
101.02441	9.4
113.02444	4.8
113.09730	3.9
118.33122	0.3
119.03504	4.7
125.09705	0.6
127.11259	2.2
134.13441	0.3
134.86044	0.2
139.11304	0.3
141.12904	0.3
143.03465	0.4
152.99570	0.4
155.10756	1.7
161.04541	0.4
167.48590	0.3
173.04646	0.3
179.05530	0.3
194.26750	0.2
211.20564	1.3
223.20694	0.7
239.20149	3.7
240.20448	0.2
241.21709	9.9
242.21986	0.8
255.23254	0.8
269.21185	1.0
271.22787	1.0
283.22760	1.2
283.25497	0.3
287.22260	33.7
288.22681	2.2
293.21194	0.3
329.23279	0.7
358.31772	0.2
449.27530	100.0
450.27847	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	449.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
56.78307	0.3
57.03440	0.4
58.00586	0.9
59.01378	25.7
59.43482	0.3
60.01697	0.5
61.12497	0.3
61.98817	1.0
62.96400	0.9
69.29949	2.3
69.51899	0.3
71.01381	12.4
72.01707	0.3
72.99291	1.4
73.02941	0.9
78.95900	2.4
80.97452	0.9
83.01398	1.4
85.02941	3.0
87.00875	1.2
89.02446	11.0
95.01397	1.1
101.01796	0.6
101.02440	8.8
101.07079	0.2
102.75555	0.3
111.08144	0.5
113.02451	4.2
113.09711	1.4
119.03507	4.4
123.08134	0.5
125.09714	0.4
127.11290	4.1
128.03560	0.3
131.03549	0.3
141.09232	0.3
141.12872	2.0
143.03571	0.3
149.00140	0.6
152.99632	0.5
161.04527	0.5
179.05571	0.6
211.20615	1.5
220.82791	0.3
221.19281	0.4
223.20628	1.1
239.20175	3.0
241.21718	10.4
242.21928	0.5
255.23225	0.7
269.21161	0.7
271.22656	0.7
283.22809	1.2
287.22269	34.0
288.22601	2.2
298.31015	0.3
329.23318	0.9
355.16870	0.4
385.17795	0.6
446.58221	0.3
449.14761	3.3
449.27521	100.0
450.27847	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01862	0.5
57.03426	1.2
58.00584	1.3
59.01380	21.1
61.98821	1.1
67.63927	0.3
71.01381	12.2
71.06806	0.8
72.99319	1.9
73.02940	0.9
75.00854	0.6
78.95904	2.6
83.01384	1.0
85.02948	3.2
87.00877	1.8
89.02441	10.5
90.25671	0.4
93.03477	0.7
95.01387	1.1
96.35361	0.4
96.96945	0.4
99.00877	0.4
99.04494	0.3
101.02444	9.0
101.06068	1.0
102.02753	0.3
111.46102	0.3
113.02445	5.1
115.07630	1.2
119.03491	4.1
133.02974	0.4
152.99591	2.9
161.02466	0.3
173.04565	2.4
179.05605	0.6
191.05626	0.4
211.20667	2.6
223.20694	0.7
225.22224	0.6
231.10202	0.3
239.20105	2.9
241.21707	9.0
242.22133	0.6
255.23267	0.9
269.21063	1.7
271.22726	1.1
283.22855	0.5
287.22263	31.2
288.22519	1.8
309.04193	0.4
329.23520	0.7
329.54868	0.4
375.21692	0.4
449.27496	100.0
450.21552	0.5
450.27939	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01380	46.6
60.01718	0.8
61.98844	3.3
69.64641	3.7
71.01383	13.2
71.05012	2.6
72.07387	0.6
72.42087	0.6
72.99290	1.8
73.02976	1.0
78.31285	0.6
78.95908	4.4
83.01378	1.0
85.02952	3.1
85.06612	0.8
87.00865	1.8
89.02440	11.7
93.03468	1.1
95.01396	0.7
96.96936	0.7
98.20765	0.7
99.32098	0.5
101.02442	8.8
109.74033	0.6
113.02441	4.4
119.03505	4.5
120.37853	0.6
127.59554	0.6
130.06750	0.6
152.99588	4.9
161.02426	1.3
173.04573	3.9
187.07680	1.0
191.05652	1.1
211.20555	0.8
223.20705	1.0
239.20123	3.1
241.21744	9.7
242.22054	0.7
255.23238	1.4
269.21213	1.0
271.22833	1.1
275.09177	1.1
287.22272	33.7
288.22635	1.9
329.23157	0.8
357.26450	7.2
389.29019	0.7
449.27548	100.0
450.27945	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	449.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89555	0.2
55.01858	0.6
57.03435	0.6
58.00579	1.1
58.00834	0.2
59.01380	22.2
59.49284	0.3
61.98837	1.4
69.61131	1.3
69.61485	0.5
71.01380	14.3
72.99308	1.3
73.02941	0.5
78.95899	4.6
79.21602	0.3
82.69080	0.2
83.01395	1.3
85.02952	3.1
87.00876	1.5
89.02447	11.3
93.03435	0.3
95.01379	1.0
98.20642	0.3
99.00878	0.4
99.08157	4.0
101.02448	8.9
105.68094	0.3
106.75124	0.3
113.02448	4.7
113.09718	0.5
119.03497	4.0
135.04550	0.3
141.12830	0.8
143.03505	0.4
152.99574	0.8
153.12827	0.3
163.04041	0.3
169.12347	1.3
173.04514	0.8
179.05540	0.4
211.20700	1.4
213.34325	0.3
223.20653	0.7
226.87148	0.3
239.20178	3.9
240.20480	0.4
241.21732	10.1
242.22044	0.4
253.21715	0.5
255.23337	0.9
269.21231	1.7
271.22769	1.2
283.22827	0.7
285.20944	0.3
285.24255	0.4
287.22275	33.8
288.22641	2.1
329.23288	0.8
341.23212	0.3
349.50803	0.3
449.27533	100.0
450.27881	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	449.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65027	1.0
54.11090	0.9
57.03459	1.2
59.01381	100.0
60.01717	0.9
61.98833	18.7
71.01376	2.6
71.02666	0.9
71.52446	1.3
72.99310	1.4
78.85499	0.9
78.95902	8.0
85.02943	1.9
89.02441	1.7
93.03463	3.0
97.06581	1.1
101.02438	1.5
101.06072	1.6
115.07667	1.6
119.04986	0.8
135.04454	1.6
152.99594	12.5
161.02361	1.4
169.12582	1.0
173.04620	6.1
187.07639	0.9
191.05661	1.7
275.09326	1.2
287.22128	1.6
329.23135	1.2
357.26443	22.4
358.26917	2.6
389.28979	1.9
389.39301	1.0
449.21115	2.0
449.27310	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70157	0.3
59.01380	2.9
59.20505	0.3
60.01701	0.3
61.98829	100.0
69.44630	0.6
69.45014	1.9
71.01402	0.4
89.02427	0.3
98.19920	0.6
99.04554	0.3
113.02459	0.3
120.82072	0.3
293.91800	0.3
317.59140	0.3
395.61353	0.3
472.65131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.1
61.98828	100.0
63.99270	0.4
67.03122	0.3
69.56292	1.8
69.90474	0.3
71.79440	0.2
72.19402	0.3
78.06645	0.3
89.92841	0.3
99.04549	0.3
160.50934	0.3
323.08359	0.3
390.22107	0.5
399.26657	0.3
467.67038	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58224	0.3
63.80119	0.3
71.29903	0.6
73.44149	0.3
75.17856	0.3
78.95901	100.0
80.25135	0.3
82.63601	0.3
84.87306	0.3
96.96963	7.3
99.33412	0.3
140.00108	0.5
140.01192	9.4
150.98102	0.3
152.99579	18.7
166.12605	0.3
171.00635	21.2
214.04861	9.3
215.05257	0.4
376.22409	1.3
382.15054	0.3
450.26227	63.3
451.26535	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	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	12.1
61.98831	23.0
66.91862	1.2
67.01899	1.8
71.01376	2.7
75.90472	0.9
81.01991	1.0
82.65378	0.8
83.05016	1.7
85.02951	2.0
88.51834	1.2
93.03458	10.5
94.03802	2.8
96.96020	2.4
97.06595	2.0
99.23025	1.0
109.02939	2.8
111.04509	2.4
119.05024	2.3
133.02931	1.8
133.75560	0.9
134.03722	2.4
135.04475	4.1
136.04880	1.3
137.02449	2.9
152.99573	1.8
155.03444	1.4
161.02449	1.7
171.04749	1.0
173.04536	25.3
174.03346	1.6
174.04869	13.2
175.05031	10.6
177.01942	1.4
178.02603	1.7
179.03392	1.4
180.05826	1.8
181.06593	3.6
187.11269	1.0
191.05273	2.9
193.06567	3.6
195.04538	2.8
195.13815	2.4
196.05342	4.0
197.06047	5.2
198.03204	1.5
199.03955	0.9
205.12321	1.4
208.05353	2.5
209.06091	11.2
210.06769	1.8
211.04021	3.9
211.07590	4.7
212.04704	2.2
213.05621	2.5
219.04503	6.5
220.05110	2.9
221.06032	5.0
222.06499	1.2
223.04185	1.4
223.07605	1.3
223.13365	13.0
224.04768	5.2
225.05623	4.7
226.02740	2.5
227.03490	2.5
227.07184	1.2
228.04385	1.0
235.03952	1.1
236.04735	1.7
237.05562	26.4
238.06226	4.2
239.07161	5.8
240.04225	4.1
241.05081	2.8
247.03952	1.9
248.04701	4.7
249.05597	9.8
250.06355	2.1
251.03326	1.3
252.04271	4.0
253.04993	7.5
254.05795	2.9
255.06586	2.4
263.03433	1.4
264.04227	3.1
265.05038	36.6
266.05750	11.2
267.06589	24.6
268.06931	1.1
269.04523	3.0
275.09085	1.3
276.09564	2.1
277.09924	1.5
281.04480	10.0
282.05240	2.7
283.06073	7.4
285.88083	1.2
293.04565	5.7
309.04074	21.3
310.04800	21.2
311.05594	100.0
312.05978	6.2
324.09964	1.3
353.03055	2.3
354.03833	3.0
354.08292	1.8
355.04568	20.4
363.12231	5.4
389.10413	2.0
389.25302	1.1
407.11438	7.0
451.10406	28.8
451.16962	4.1
451.22696	1.3
452.10623	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	451.1244
Annotation	Robustaside E
Peak:m/z	Relative Intensity
55.96363	0.5
57.03443	1.8
59.01380	12.0
61.98828	7.2
67.01891	1.0
71.01388	7.2
71.51355	0.8
72.99305	0.7
73.02943	1.8
81.03467	0.8
83.01386	1.2
85.02973	2.7
87.00880	1.3
87.51109	0.5
89.02438	1.1
91.01888	1.4
93.03459	11.7
94.03817	0.5
95.01382	1.0
96.96059	0.5
97.02969	0.5
99.00901	0.6
99.04529	1.5
101.02431	4.6
104.59576	0.4
107.01406	1.9
108.02161	5.6
109.02946	3.5
111.00874	0.9
113.02449	2.7
115.04009	0.6
121.02955	20.6
123.00881	2.4
123.04521	9.0
125.02453	1.2
127.03967	0.6
135.04485	0.8
136.01656	0.5
137.02444	1.6
138.05653	2.2
139.04010	100.0
140.04332	3.0
146.07755	0.5
148.04092	0.7
150.04253	1.1
150.05565	0.5
151.00352	4.2
151.03964	0.6
152.01146	7.8
153.01961	3.4
153.05569	2.5
161.02458	1.2
163.03947	0.8
165.01949	1.5
166.02724	0.7
167.03496	28.3
168.03828	1.0
171.10220	0.8
173.04514	3.7
174.04883	1.2
179.03534	0.9
181.01413	0.6
181.05066	1.3
182.02193	0.6
183.02989	0.9
191.05557	0.8
197.04672	1.1
202.69830	0.5
209.04610	0.6
209.11835	2.4
215.12880	0.6
221.04567	0.7
227.12820	1.1
228.13287	0.5
261.12442	0.5
265.04831	0.6
287.15057	1.8
288.15308	1.4
289.11993	1.9
289.15900	2.6
296.05292	3.3
311.07715	46.1
312.08023	2.1
341.08856	1.4
363.12210	0.8
363.23956	1.1
371.11340	1.4
407.11108	1.6
407.19147	1.3
409.03549	0.5
433.11377	37.6
434.11649	3.8
451.13177	4.1
451.20883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	0.6
66.57510	0.3
69.71385	0.3
69.92947	1.3
71.01380	7.4
75.21358	0.3
78.95884	0.4
98.19919	0.3
99.92583	28.2
100.92613	0.9
100.93346	5.3
115.92075	100.0
116.92123	4.5
116.92854	70.3
117.92913	2.4
126.94966	0.8
132.92323	0.6
142.94420	0.4
144.95976	0.9
146.80548	0.3
155.95088	0.3
156.95938	0.6
172.95464	40.2
173.95480	1.6
184.15259	0.3
186.93373	0.5
255.23297	1.8
277.21756	2.1
281.24026	0.5
282.45572	0.3
328.33624	0.3
377.14368	1.1
393.13773	1.0
433.16763	1.7
451.17990	6.7
451.24228	0.7
451.30765	0.6
452.18057	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52020	0.1
58.10093	0.1
59.01395	0.2
71.52532	0.1
78.46825	0.1
78.95878	0.4
99.92581	5.4
100.92676	0.3
100.93360	3.2
101.00132	0.1
115.92074	100.0
116.92081	3.6
116.92862	6.6
117.92580	0.2
132.92361	1.0
142.94409	0.3
146.03386	0.1
155.95226	0.4
156.96054	0.2
165.68280	0.1
172.95453	5.8
173.95541	0.4
195.00722	0.2
226.31473	0.2
232.50400	0.1
255.23279	1.7
277.21793	0.5
377.14075	0.4
403.15695	0.8
404.16245	0.2
433.16824	1.2
434.17120	0.4
451.17963	3.7
451.24570	0.8
452.18143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.3
57.03446	94.6
58.03770	0.9
59.01376	100.0
60.01726	0.8
61.98824	10.4
67.01873	1.1
69.22948	1.3
69.23352	5.3
71.01379	24.2
72.01792	1.0
72.99297	0.9
73.02932	8.7
75.00877	1.0
79.58664	0.7
81.03446	1.4
83.01387	4.2
85.02942	11.2
86.28497	0.7
87.00883	1.7
89.02445	5.3
93.03454	5.2
94.03798	0.9
95.01384	1.2
96.95996	1.7
97.03001	0.9
99.00892	3.3
99.04514	86.6
100.04873	1.8
101.02434	38.9
101.06092	2.3
102.02831	1.0
113.02433	13.2
113.03142	0.9
118.98090	3.5
119.03513	1.3
119.05057	1.6
125.02439	36.4
135.04520	2.5
136.04861	0.8
137.02423	3.8
138.02821	1.1
139.02921	1.2
143.03450	4.8
145.12349	3.3
159.03020	2.2
161.02480	1.4
161.04553	14.1
161.05885	1.1
163.03957	0.9
173.04523	6.5
174.04922	1.9
211.04216	0.7
237.05635	1.4
264.04422	0.9
265.05191	2.7
275.09235	1.1
277.09830	1.4
289.16614	3.9
307.17590	39.0
308.18033	1.7
309.04025	1.3
349.18631	14.4
350.18921	0.8
363.12491	1.1
389.21817	2.7
407.11346	4.5
451.10632	2.3
451.21918	17.6
452.11630	0.8
452.22580	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01711	1.2
61.98829	5.1
62.74257	0.8
64.30740	0.7
71.52708	1.0
78.95912	2.0
81.03440	3.6
83.05023	13.3
83.05489	1.0
93.44756	0.9
152.99591	1.3
154.90977	0.8
185.11813	1.2
207.10277	0.9
209.11862	5.8
227.12996	1.7
243.39279	0.8
288.24591	0.9
363.19531	1.1
391.29639	49.1
392.30179	3.9
395.19669	0.8
421.16727	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59144	0.1
57.03448	0.1
58.02972	0.3
59.01375	0.9
60.01717	0.1
61.01785	0.1
61.98817	0.1
66.03457	0.1
69.03453	0.1
69.40424	0.4
71.01382	0.2
72.04547	0.1
73.02965	0.1
75.00883	0.1
76.26595	0.1
80.05061	0.3
81.03452	7.4
82.03777	0.2
82.06611	0.1
83.05021	21.9
83.91628	0.1
84.04572	0.1
84.05355	0.5
85.02923	0.1
93.03431	0.1
98.19904	0.1
100.07678	0.2
101.02419	0.1
107.06145	0.7
108.04562	0.8
113.02415	0.1
123.59290	0.1
125.07203	2.6
125.41848	0.1
126.05601	0.5
126.07578	0.1
143.08249	1.4
150.04192	0.1
152.97276	0.1
157.13475	0.1
166.12393	0.1
169.13464	0.1
173.04568	0.1
175.04861	0.1
183.15068	0.1
199.18153	0.1
203.12868	0.1
207.15015	2.6
207.16997	0.1
208.13364	0.2
208.15364	0.1
209.11746	0.1
222.16077	0.1
224.17667	4.2
225.16063	12.3
226.16434	0.6
227.12820	0.2
228.13126	0.1
229.13399	0.1
242.18721	1.5
250.15527	0.3
266.18933	0.1
268.16672	0.2
287.15005	0.3
288.15329	0.2
289.15533	0.6
290.22351	0.3
291.20770	0.1
292.20386	0.1
306.21893	0.2
307.23969	0.3
309.21716	0.5
324.22818	0.1
324.26498	1.7
325.26926	0.1
333.22937	3.9
334.23221	0.2
339.27704	0.3
341.29367	0.1
350.24448	0.1
351.24020	1.2
365.17981	0.1
367.27042	1.2
385.28070	0.2
391.18839	0.1
406.30664	0.2
407.19379	0.3
433.31799	6.2
434.32178	0.8
451.32840	100.0
452.33154	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.13573	0.2
62.96424	0.2
78.95901	17.9
94.76108	0.2
96.06183	0.2
104.97485	0.3
109.75793	0.2
116.09550	0.2
122.00105	0.5
140.01184	5.8
152.99608	1.6
158.17194	0.2
194.60789	0.2
196.03783	9.3
214.04861	1.9
229.65425	0.3
237.22102	0.3
243.57263	0.2
255.23273	100.0
256.23621	6.2
388.23489	0.3
452.27795	33.4
453.28137	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65108	0.6
64.81895	0.5
70.48211	0.6
71.52499	0.8
78.95901	100.0
83.49396	0.5
96.96956	8.4
105.09275	0.6
106.38842	0.5
140.01192	1.0
152.98392	1.2
152.99577	19.5
156.86339	0.5
171.00626	19.6
174.91618	0.6
195.09442	0.5
202.97746	0.5
214.04851	1.5
255.23273	38.6
256.23599	2.6
323.58560	0.5
378.24078	3.1
393.62402	0.6
452.27771	70.1
453.28015	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	453.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31924	0.4
59.01392	0.9
71.01367	1.3
71.49816	0.4
71.50201	0.6
74.99378	0.5
78.95901	100.0
88.98802	0.7
89.02438	0.9
97.60965	0.4
101.02467	0.7
108.90181	1.9
110.89099	1.0
110.89912	43.8
110.98528	96.4
111.98891	0.6
112.98810	1.5
115.00372	0.6
128.96817	0.8
140.69136	0.4
145.01405	1.9
153.00438	0.5
170.97823	7.8
171.97998	0.5
195.01434	1.0
230.99921	1.4
243.03601	1.9
307.25842	0.5
341.10703	2.1
363.08804	0.7
407.08246	0.4
421.08127	1.1
452.91135	0.5
453.10547	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	453.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78206	0.3
55.81646	0.4
69.73481	1.7
71.01383	7.1
86.26070	0.4
93.25456	0.3
98.20634	0.7
99.92582	26.3
100.92656	0.8
100.93346	4.7
115.92075	100.0
116.92120	4.2
116.92853	65.0
117.92910	1.9
117.93611	0.4
126.94913	0.5
132.92352	0.9
144.92339	0.5
144.95975	1.2
154.94403	0.5
155.95062	0.5
172.95457	44.2
173.95590	1.9
186.93382	0.5
198.27386	0.4
198.38364	0.3
219.35301	0.4
279.23209	2.3
364.35242	0.4
379.15808	1.0
395.15295	1.4
435.18341	1.1
453.19461	8.7
454.19669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17944	1.5
78.95922	0.2
98.19938	0.4
99.92577	6.0
100.92673	0.3
100.93360	4.6
115.92073	100.0
116.92078	3.8
116.92863	5.9
117.92450	0.3
117.93694	0.2
132.92360	1.0
142.94449	0.3
155.95226	0.2
172.95454	5.1
173.95546	0.2
217.22389	0.2
257.91519	0.2
279.23267	0.4
315.03156	0.2
316.94424	0.2
379.15686	0.8
393.12839	0.1
395.15411	0.2
405.17337	0.9
435.18365	1.1
453.19492	4.2
453.25775	0.3
454.19730	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81185	1.8
61.98830	25.5
62.38846	1.7
78.95900	65.1
96.96937	3.4
107.95615	2.0
129.03258	2.0
152.99585	100.0
167.31314	2.3
169.60524	1.9
171.00613	16.7
225.18594	60.9
226.18947	2.9
227.03217	7.5
230.13631	2.3
245.01761	4.3
245.04295	87.2
311.52664	2.1
371.92953	2.3
426.51422	2.0
453.22580	93.0
454.22601	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	453.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42705	0.7
61.21099	0.7
61.98822	2.2
69.26031	2.3
69.26456	4.6
77.55773	0.7
78.95904	59.5
86.42893	0.7
95.43822	0.7
96.96953	4.3
104.41096	0.8
121.03622	0.8
150.98050	1.0
152.99582	90.6
153.99826	1.2
171.00635	14.8
179.61702	0.8
197.60732	1.0
225.18596	48.1
226.18884	2.3
227.03316	7.2
245.04301	62.1
246.04596	2.5
325.58139	0.8
334.30176	0.9
453.22574	100.0
454.22897	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	454.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.0
59.01378	17.3
61.52275	0.5
61.98828	100.0
69.66673	2.7
71.01382	2.9
72.99323	1.0
73.02954	1.9
78.95911	0.8
81.03474	0.5
83.01385	0.9
83.05020	1.3
85.02952	0.6
89.02432	4.0
91.59863	0.5
98.19980	0.8
98.20532	0.8
99.04517	20.2
100.04847	0.7
101.02444	9.2
105.54513	0.5
109.02970	0.8
113.02417	2.2
119.03525	2.0
120.58333	0.5
123.04505	1.7
125.02446	7.3
125.03325	0.6
131.03502	0.6
134.03758	0.5
135.04549	0.8
143.03514	1.8
149.04575	1.0
153.02071	0.5
153.05562	1.4
161.02521	0.8
161.04610	1.8
173.04623	0.5
179.03581	0.6
179.05569	0.6
193.05153	0.6
209.11926	1.9
214.84950	0.5
221.06575	1.5
227.12886	0.5
247.11934	1.0
289.13025	1.4
315.71075	0.5
329.15915	0.9
335.14853	0.5
349.19678	0.6
391.16095	10.6
392.16629	0.6
453.33365	7.0
454.14059	1.0
454.20651	1.1
454.33850	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	454.292
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56451	0.3
59.01389	0.4
61.98830	100.0
70.99689	0.4
71.00016	0.4
71.01396	0.5
72.99317	0.3
78.43250	0.2
88.04048	0.8
96.96025	0.3
99.92550	0.3
115.92094	0.6
133.02907	0.6
135.04538	0.4
137.38589	0.3
161.02477	1.3
171.10254	0.6
209.11896	0.9
210.12283	0.3
227.12997	0.9
330.58304	0.3
335.35574	0.2
348.06485	0.2
363.27524	0.2
454.28180	1.0
455.17380	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18503	0.2
57.81280	0.3
59.01378	0.4
59.06939	0.2
61.98829	100.0
69.87936	0.5
69.88352	0.6
85.22977	0.2
105.01927	0.2
121.02946	0.2
127.42457	0.2
157.14539	0.2
161.02502	0.4
171.10284	0.8
181.05037	0.2
209.11917	0.7
210.12286	0.4
222.88612	0.2
227.12904	0.3
335.53729	0.2
349.17148	0.2
455.26617	0.4
457.87503	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.7
59.01377	6.8
61.98818	2.5
69.03423	0.9
69.84933	4.2
71.01388	1.8
72.99303	92.6
73.99639	0.9
87.00877	1.4
93.03452	4.9
96.96003	4.6
97.06583	8.8
98.64223	0.8
100.98795	1.6
101.02439	1.9
102.05585	2.0
108.02206	0.8
109.02946	2.2
113.45209	0.8
115.48237	0.7
118.55591	0.7
119.05035	1.3
121.02944	8.1
122.03731	1.6
123.04515	9.5
125.02479	1.3
128.03546	1.5
130.04190	2.1
131.04979	0.8
132.02188	1.3
133.02950	28.8
134.03740	5.9
135.04524	21.0
137.02411	5.3
138.70425	0.8
145.02975	4.1
146.03716	1.5
147.04489	1.5
149.06084	3.5
150.03215	5.7
151.03975	1.7
158.03697	1.1
159.04510	13.0
159.08159	2.4
161.02434	92.8
162.02760	3.0
162.06862	0.9
163.07643	1.9
165.09248	1.0
172.05309	4.3
173.06088	5.1
174.03189	1.1
174.06831	1.9
175.03979	2.7
175.07562	3.7
176.04758	2.8
178.02698	8.0
179.03473	9.2
183.04547	1.7
187.04008	1.4
187.07631	40.1
188.08073	1.6
189.05542	1.3
190.06351	6.4
191.10857	1.1
194.14970	0.8
195.08206	1.2
197.04538	11.8
197.06212	1.1
199.04001	1.5
200.04796	1.4
201.05537	1.5
201.09267	3.8
202.06285	5.3
203.07086	1.5
203.10738	3.2
204.07950	1.1
205.08675	3.7
208.05235	0.8
209.11900	1.0
211.07727	1.0
213.09203	8.1
215.07121	7.2
216.07791	1.2
219.10242	22.5
220.10497	1.4
221.11781	0.9
223.07625	1.8
226.05501	0.7
227.03455	2.0
229.08653	2.3
231.06802	5.6
231.10239	17.7
232.10565	1.0
237.05627	1.4
238.06250	1.6
239.07013	1.9
247.09857	1.1
249.11249	1.7
250.06374	1.3
251.07118	26.9
252.07724	5.7
253.08600	1.4
257.08157	11.4
266.05945	0.9
267.06631	2.3
275.09232	16.9
275.12030	1.2
276.09732	1.5
281.36234	0.8
293.10297	100.0
294.10608	7.2
295.06100	7.8
296.06842	6.3
297.07349	1.4
322.28204	0.8
339.04971	8.3
340.05591	1.6
411.10849	1.2
437.12354	7.2
438.12488	1.2
455.13434	9.5
455.23315	1.3
456.14008	1.6
456.25470	1.8
460.51285	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.2
59.01365	4.0
60.99010	0.9
60.99305	16.3
61.98818	0.9
69.14665	1.3
69.15060	5.7
71.01389	0.8
71.35240	0.6
73.02937	1.2
75.00892	0.6
78.95906	4.7
88.98802	100.0
89.02404	0.9
89.99114	0.7
96.82807	0.8
96.96008	4.2
96.96963	6.2
99.04523	2.7
101.02435	2.2
116.92869	3.3
122.00710	0.6
131.07118	1.3
143.54152	0.6
168.56926	0.7
173.04453	0.7
191.03436	0.7
257.57947	0.7
311.00027	1.4
365.14410	1.4
455.03043	0.9
455.09891	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	455.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03444	5.3
59.01379	20.3
59.48201	0.7
61.98822	1.4
62.98612	0.7
68.99816	1.5
69.03461	1.4
69.28757	2.1
69.29170	3.3
71.01380	17.0
72.99313	8.8
73.02940	1.6
75.00868	21.7
80.91674	0.7
83.01383	1.4
85.02951	25.9
87.00881	8.1
89.02446	5.3
95.01384	6.7
98.19972	1.6
99.00876	14.8
99.01463	1.4
99.04500	1.7
101.02435	1.0
101.06081	41.1
102.06412	1.0
103.00377	2.9
111.00940	0.9
113.02448	36.2
115.00360	3.1
117.01951	4.8
119.05000	0.8
121.02953	100.0
122.03286	2.5
129.01978	2.2
133.02971	3.9
133.12059	0.7
135.04533	2.2
149.09726	2.7
151.04025	3.3
157.01385	2.3
161.02429	16.0
162.02800	0.9
175.02481	5.3
175.03853	1.0
178.02754	1.4
179.03493	1.7
181.05141	1.0
193.03468	1.3
209.11917	2.2
210.74512	0.6
231.05055	1.9
249.06158	9.0
251.07109	4.1
293.10355	2.5
295.06192	1.1
296.06696	0.8
333.11984	5.5
353.08820	4.2
371.09830	6.6
373.26031	1.3
432.96948	0.8
437.14459	1.0
455.15573	81.0
456.16077	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	455.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75504	0.5
54.02708	0.5
57.03423	0.6
59.01379	2.9
61.98831	2.9
66.28704	0.6
69.21414	5.0
71.01366	1.0
72.99302	0.7
73.02952	0.5
78.95901	29.0
80.02669	2.4
81.03455	3.0
83.01382	0.7
83.05022	10.0
84.02155	2.6
89.02465	0.6
89.44045	0.5
95.05043	1.2
95.17143	0.6
96.96021	1.3
96.96970	2.0
99.04569	0.6
101.02420	0.6
106.56258	0.6
109.02952	2.3
123.04485	1.5
125.06123	1.2
135.04514	1.5
135.08174	1.4
144.68942	0.6
146.13614	0.6
147.11797	0.6
150.98061	0.6
152.99577	43.2
153.01897	3.2
153.05527	1.4
159.26012	0.6
161.02402	0.9
163.11285	7.5
165.12836	3.8
166.13141	0.6
168.90724	0.8
171.00603	3.7
177.98438	0.6
181.12355	1.9
191.10759	2.1
209.11812	100.0
210.12152	5.0
227.03299	4.1
227.12865	11.4
228.13191	0.8
245.04211	1.6
249.14972	0.6
256.95511	0.6
293.13766	0.9
335.14905	1.9
363.12143	1.8
395.16711	0.7
424.17300	0.7
441.79663	0.6
455.16840	92.9
456.17041	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	455.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51409	0.9
56.26850	0.8
57.03448	100.0
58.03786	1.7
59.01379	85.4
61.98820	3.6
68.99568	1.4
70.33994	2.0
70.34389	2.5
71.01382	20.9
72.99300	14.4
73.02942	6.5
76.79990	0.8
77.66595	0.9
80.91690	1.2
81.03454	2.1
83.01382	4.2
83.05013	1.0
85.02939	3.7
85.85548	0.9
87.00878	1.4
88.90382	0.9
89.02445	20.2
93.03448	2.3
95.01368	1.2
96.96007	2.8
97.06548	1.1
99.04517	79.1
100.04852	1.8
101.02437	34.6
109.02930	1.8
112.98566	1.5
113.02428	8.2
119.03497	7.8
119.05032	1.6
121.02917	1.2
123.04519	3.9
124.01605	1.4
125.02445	24.0
125.09602	0.9
126.02708	1.1
128.03572	1.8
133.02959	10.3
134.03714	1.9
135.04526	10.7
137.02440	3.0
143.03456	3.6
145.02908	2.9
149.02489	1.8
150.03154	1.8
151.04013	3.2
153.05577	1.1
159.04480	3.4
161.01131	1.7
161.02440	32.4
161.04578	3.2
162.02875	1.3
163.04045	1.9
171.10287	1.1
172.05289	1.4
173.04515	1.8
174.03136	1.2
178.02672	1.4
179.03583	4.9
179.05637	4.5
181.05067	1.6
187.07562	2.5
197.04576	1.2
203.10690	1.3
209.06073	0.9
209.11772	1.4
213.09099	1.2
215.07143	1.1
219.10178	1.9
223.07581	3.7
229.08591	0.9
231.10176	1.9
237.05577	1.1
239.07260	1.0
250.06148	0.9
251.07138	42.9
252.07736	7.5
253.08562	1.7
257.08121	1.9
266.32217	1.1
267.06705	3.2
275.09247	4.0
293.10297	12.2
295.06097	15.2
296.06833	12.8
297.07355	1.1
311.14941	6.8
339.04980	2.7
353.16187	1.8
357.06088	0.9
393.13339	1.7
437.12241	5.7
455.13245	3.1
455.19302	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	455.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41858	0.5
59.01377	1.2
61.79050	0.5
61.98819	1.7
65.55959	0.5
69.23560	3.5
69.23983	1.2
71.01389	1.9
78.95899	7.2
81.03441	0.9
85.49094	0.5
91.72612	0.5
97.02953	1.1
99.01589	0.5
109.06586	7.3
126.85494	0.5
135.08191	1.2
142.02710	1.0
152.99579	15.3
158.98846	0.5
163.11275	3.1
171.00648	1.1
171.10236	1.0
181.12315	1.1
183.13846	1.0
199.09772	1.2
207.10239	7.6
211.13396	3.8
225.11296	2.3
227.03250	3.7
227.20158	100.0
228.20555	5.2
245.04327	1.1
455.24121	30.7
456.24451	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	455.2646
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01871	1.0
57.03447	1.4
58.00585	1.6
59.01381	27.7
60.01731	0.7
61.98809	1.9
67.77974	0.7
70.72189	1.1
71.01378	17.0
72.50915	0.6
72.99294	2.7
73.02929	1.4
75.00861	1.1
81.03449	0.6
83.01379	1.8
83.04989	0.9
85.02957	4.2
87.00870	2.4
89.02439	13.6
95.01373	1.3
97.02957	1.2
99.00866	0.9
101.02438	9.3
105.01934	12.0
109.06587	7.3
113.02439	5.5
119.03481	5.0
125.09674	1.2
135.08133	0.7
139.11261	1.5
142.02623	0.7
153.12819	0.8
159.14934	0.6
163.11267	4.8
171.10243	1.3
181.12344	1.3
183.13872	1.5
191.17941	1.1
197.61650	0.7
199.09769	4.1
207.10265	9.0
211.13373	5.4
225.11246	4.8
247.20695	0.8
275.20129	2.6
276.74216	0.7
293.21191	32.6
294.21591	2.5
355.84149	0.6
406.67749	0.6
455.26477	100.0
456.26801	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	456.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44533	0.3
55.57384	0.4
57.03447	20.5
59.01070	0.6
59.01377	20.2
61.98829	100.0
70.27036	1.5
71.01376	2.6
72.99319	0.6
73.02960	1.9
82.09492	0.4
83.01392	0.8
85.02959	1.4
85.66064	0.4
89.02463	0.7
91.01898	0.6
93.03474	0.5
96.95965	0.6
98.19899	0.6
99.04519	20.6
101.02441	9.4
102.05621	0.4
108.24997	0.4
109.03020	0.4
109.65851	0.4
113.02473	0.6
121.02988	0.4
123.04543	0.5
125.01600	0.2
125.02454	7.3
135.04579	0.6
137.02473	1.1
143.03471	2.2
151.03986	7.9
151.05101	0.5
152.01167	0.6
153.01947	0.4
153.05507	0.6
159.02988	0.4
161.04587	1.6
192.64476	0.4
193.05132	0.4
194.05516	0.8
221.41597	0.4
222.83594	0.4
249.13374	6.0
288.36804	0.5
291.14453	2.7
331.17883	1.4
345.81491	0.4
393.17633	12.3
394.17950	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	20.7
59.01379	18.8
61.98828	100.0
71.01373	3.0
72.99300	1.4
73.02954	1.7
74.99129	1.4
78.95936	1.0
83.01389	0.8
85.02969	1.7
88.24495	0.6
88.98763	0.6
93.03458	0.6
96.95383	1.2
96.96006	20.8
99.00916	0.8
99.04516	21.3
101.02448	10.2
104.64211	0.6
107.84203	0.6
109.03009	0.9
113.02454	2.0
117.05560	0.9
121.02980	0.7
123.04545	1.2
125.02428	6.7
128.03535	0.7
133.02983	1.2
134.03766	2.3
135.04129	0.6
135.04594	0.9
136.99127	1.8
137.02538	0.9
143.03494	1.3
149.06142	0.9
149.09558	0.6
161.02434	2.8
161.04579	1.5
173.04570	1.3
178.02693	1.4
179.03293	1.8
191.05499	0.6
193.05023	4.5
194.05334	3.9
195.06580	1.0
197.04596	0.7
209.11896	1.2
210.12196	1.4
235.13341	0.7
249.13394	6.0
291.14490	3.5
331.17654	0.7
359.07730	0.9
393.17688	11.5
456.17023	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	456.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19595	0.2
52.42004	0.2
54.44827	0.2
56.04770	0.2
57.03453	0.5
59.01379	2.1
61.98828	100.0
66.03868	0.2
69.31203	1.1
69.31623	0.9
71.01389	0.7
72.99284	0.4
74.21432	0.3
77.81647	0.2
79.95674	0.2
81.29695	0.2
89.02453	0.5
96.95387	0.5
96.96004	7.3
99.04533	0.2
101.02431	0.5
108.02159	0.3
123.04565	0.4
135.04514	0.4
161.02467	0.9
164.88069	0.2
173.04535	0.4
179.03471	0.4
197.04530	0.3
220.39844	0.2
221.27173	0.2
296.19882	0.2
310.30920	0.2
393.21118	0.4
456.20334	0.2
457.16919	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1713
Annotation	Foliachinenoside B1
Peak:m/z	Relative Intensity
55.01879	0.5
57.03447	2.0
58.00593	0.5
59.01378	36.2
60.45424	0.2
60.52831	0.2
61.98814	0.3
69.03450	0.9
71.01379	17.5
71.05029	0.2
71.51737	0.3
72.01720	0.3
72.99304	0.8
73.02943	31.8
74.03267	0.3
75.00859	0.4
81.03448	0.6
83.01389	7.2
83.05035	1.0
84.81527	0.2
85.02948	2.1
87.00899	0.7
88.92242	0.2
88.98792	1.1
89.02447	3.6
93.03455	0.3
95.01405	0.4
95.05010	0.3
97.02953	0.7
97.06584	0.8
99.00860	0.7
99.04498	0.4
101.02437	20.1
102.02793	0.5
105.39642	0.2
107.05031	0.7
109.02967	1.3
109.06577	1.4
111.04540	0.3
113.02444	3.9
119.03487	1.0
121.06585	2.4
122.03742	10.3
123.04572	0.3
123.08200	0.2
124.05313	0.2
125.02451	0.6
125.06078	0.4
131.03496	1.2
133.06592	0.9
135.04552	1.6
136.05280	0.3
137.06079	9.2
138.06754	0.2
139.07675	1.3
143.03494	0.8
143.81731	0.2
147.08102	0.2
149.04613	0.5
149.06078	0.4
149.09706	2.2
151.07559	0.3
153.01999	0.2
155.03465	0.3
157.06546	0.3
161.04549	2.5
161.05920	0.3
162.06921	0.2
163.11327	0.3
165.05557	2.6
167.07187	0.5
171.10255	0.6
173.04520	0.5
173.09721	2.5
176.08394	0.5
181.05191	0.2
189.09200	0.6
191.10765	12.0
192.11122	0.9
199.09660	0.3
203.05527	0.3
209.11867	0.4
235.09717	2.0
272.48648	0.2
304.34561	0.2
320.50989	0.2
338.04880	0.2
397.14749	0.4
402.35547	0.2
415.16046	0.5
457.17117	100.0
458.17435	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	457.1714
Annotation	sasanquin
Peak:m/z	Relative Intensity
51.71042	0.2
55.01878	0.6
57.03447	3.9
58.00582	0.6
59.01379	38.3
60.01727	0.2
60.99310	0.3
61.98833	2.8
69.03461	0.8
69.27331	0.2
69.68517	1.1
71.01380	18.4
71.05038	0.3
72.99315	0.6
73.02945	26.1
74.03278	0.2
75.00872	0.4
81.03466	1.2
83.01389	6.1
83.05025	1.7
85.02947	3.0
87.00880	0.8
89.02447	3.3
93.03466	0.3
95.01408	0.5
95.05038	0.8
96.96034	0.3
96.96964	0.2
97.02955	0.6
97.06582	1.5
98.20621	0.4
99.00890	0.8
99.04517	1.1
101.02444	16.7
102.02769	0.2
107.05009	1.6
109.02962	2.0
109.06604	1.1
111.04533	0.5
111.08206	0.3
113.02451	4.4
115.00372	0.2
119.03518	0.9
121.06592	4.7
122.03742	3.9
122.06941	0.2
123.04577	0.9
123.08140	0.2
125.02441	1.1
125.06078	0.3
131.03528	1.2
133.06610	1.9
135.04527	6.5
136.05264	0.6
137.06082	5.0
138.06839	0.4
139.07631	1.8
143.03500	0.6
149.04619	0.3
149.06064	0.4
149.09708	4.1
151.07677	0.4
152.01144	0.2
155.03439	0.4
157.06548	0.6
161.04549	1.4
161.06038	0.6
162.06917	0.4
163.11258	0.7
165.05571	1.1
165.09203	0.3
167.07155	0.4
167.10527	0.2
171.08113	0.2
173.09720	3.8
175.07683	1.0
176.08437	0.8
179.03462	2.1
189.09180	1.2
191.10771	26.8
192.11147	1.2
209.11804	0.8
217.08640	0.4
235.09741	1.3
251.11417	0.5
253.10686	1.0
293.12296	0.3
307.44012	0.2
313.31952	0.2
341.08688	1.2
395.15573	0.9
397.15485	0.3
415.16089	0.5
439.16177	0.3
457.17120	100.0
458.17468	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16343	0.8
57.03204	1.1
57.03450	14.7
59.01379	12.2
61.98838	5.3
62.79460	0.8
69.18189	8.0
71.01389	7.5
72.99296	1.1
73.02946	2.2
83.04993	1.6
85.02952	2.5
89.02428	0.9
93.03458	1.6
95.01408	0.9
95.05012	3.0
96.96014	4.1
98.09325	0.8
99.04491	1.1
99.08159	77.4
100.08474	1.6
101.02434	4.8
101.06084	1.2
105.03432	1.2
109.02928	3.9
109.06584	1.2
111.08119	1.0
113.02417	2.5
117.70278	0.8
117.71307	0.9
123.04523	100.0
124.01654	1.8
124.04805	3.1
127.07655	75.2
128.07983	1.6
129.05580	83.5
130.05894	1.9
135.04451	2.6
137.02338	0.9
148.63538	0.9
153.01900	3.7
153.05571	52.3
154.05856	1.7
161.02385	3.3
161.04553	9.0
163.07478	0.9
171.06613	19.2
173.04495	2.5
173.08141	1.5
179.03481	1.0
181.05013	1.5
189.07675	5.2
235.13382	1.7
285.09769	18.8
286.10077	1.3
398.09955	2.2
439.15842	2.0
457.16977	39.4
458.17523	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	457.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08028	0.4
55.01888	1.0
57.03445	2.5
58.00574	1.0
59.01379	77.9
60.01722	0.6
61.98828	2.8
69.03471	1.8
71.01377	28.5
71.51585	0.4
72.99313	2.7
73.02943	28.4
75.00913	0.9
78.95925	1.4
81.03466	0.9
82.17538	0.4
83.01382	7.1
83.05034	1.2
85.02943	9.9
87.00889	0.9
88.98801	0.5
89.02450	8.9
93.03471	0.5
95.01397	2.2
96.96019	1.4
97.02950	1.4
97.06562	0.9
99.00872	1.2
99.04530	0.8
101.02444	26.8
107.05054	1.4
109.02966	1.1
109.06588	1.2
111.04487	0.5
113.02442	15.2
119.03493	2.3
121.06601	2.5
122.03736	9.1
123.04527	0.8
123.08166	0.5
124.05207	0.4
125.02446	1.2
128.03540	1.2
131.03517	2.5
133.03116	0.4
133.05061	0.9
133.06616	0.7
134.03728	0.4
135.04510	5.4
135.08159	0.5
137.06087	10.1
139.03969	0.4
139.07628	1.1
143.03534	1.7
148.03978	0.7
149.04565	1.8
149.06036	1.1
149.09726	2.0
155.03514	0.5
161.02405	0.9
161.04570	4.3
165.05586	2.5
171.10236	1.8
173.04495	1.2
173.09723	2.4
175.07686	0.5
178.08693	0.5
179.03510	4.6
189.09251	0.7
191.05547	0.5
191.10774	11.1
192.11134	0.6
193.05106	1.3
199.09793	0.5
207.10126	0.7
209.08264	0.9
223.09578	0.5
225.11317	0.7
235.09755	1.9
237.20700	0.5
253.10837	0.9
296.07730	1.7
327.18198	2.6
347.11398	0.5
371.16821	0.9
377.12762	0.6
397.15103	0.8
457.17126	100.0
458.17404	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05858	0.7
57.03446	17.4
59.01377	10.8
61.58279	0.8
61.85631	0.6
61.98823	2.1
69.21205	6.5
70.78151	0.7
71.01384	6.1
72.99326	0.8
73.02937	3.1
83.01385	1.5
83.05021	1.1
85.02929	3.2
86.01597	0.6
89.02438	2.1
92.67226	0.7
93.03441	1.4
95.05046	2.0
96.96037	1.4
98.20578	1.8
99.00891	1.1
99.04508	3.2
99.08154	62.3
100.08501	1.4
101.02438	5.4
105.03490	1.0
109.06616	1.2
113.02448	2.4
119.03477	1.0
119.05022	2.2
123.04519	100.0
124.01601	0.7
124.04850	2.8
125.02460	1.4
127.07647	68.5
128.07979	2.0
129.05582	23.3
130.08763	1.1
135.04489	1.6
143.28200	0.7
153.05569	49.2
154.05934	1.0
161.04538	8.8
163.03993	2.7
171.06619	15.6
172.06906	0.9
173.04535	2.1
189.07707	2.3
191.05647	1.1
194.75674	0.8
231.48218	0.7
238.80392	0.8
253.14516	0.8
285.09766	17.7
413.24002	1.1
457.16748	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	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.9
57.03449	100.0
59.01380	85.0
61.98829	16.2
62.40286	1.0
69.38309	7.5
71.01379	31.1
72.99303	4.1
73.02953	10.3
75.00868	1.8
78.98595	1.7
79.57178	0.9
81.03452	2.0
82.95428	9.8
83.01396	4.0
85.02952	9.6
85.76179	1.0
87.00866	1.3
89.02461	3.6
93.03466	2.2
95.01392	2.0
96.96001	1.0
97.06615	3.1
99.00892	2.7
99.04522	86.1
101.02448	42.7
102.02709	1.3
102.05606	3.2
104.00340	1.1
109.06610	2.0
113.02461	11.1
119.05012	4.8
125.02454	26.4
128.03516	3.3
133.02956	3.5
134.03815	1.6
135.04536	4.3
142.84236	1.0
143.03485	5.1
145.02963	2.4
151.00693	1.3
151.04013	1.5
151.11353	1.7
159.03049	2.6
161.02525	8.5
161.04575	10.5
162.02773	2.2
163.04012	1.8
163.11305	1.5
171.10245	2.4
173.04530	5.3
179.03343	1.6
181.05107	1.3
197.71983	1.1
201.09299	1.1
207.10240	6.5
215.07063	1.1
287.16351	2.5
293.10196	1.7
299.14935	2.0
305.17624	1.9
313.16559	18.1
329.23349	2.6
355.17599	4.0
361.34552	1.2
373.25909	3.8
395.20453	1.5
457.20743	13.4
457.26651	1.2
458.22202	2.3
458.28381	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	457.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44565	0.9
52.59501	0.8
57.03447	20.3
58.00586	1.0
59.01379	100.0
61.98827	3.9
63.23973	1.0
71.01382	16.2
71.06738	1.9
72.99314	2.4
73.02954	6.7
83.01391	3.5
85.02958	6.7
87.00884	1.5
89.02444	8.4
91.14665	0.9
91.66771	0.9
93.03458	3.9
95.01428	1.7
96.95998	6.8
97.06567	1.9
99.00911	0.9
99.04523	16.9
99.08169	1.3
101.02437	15.4
108.02188	7.7
109.02937	7.3
113.02459	7.7
115.00407	1.0
116.05055	2.1
119.03489	4.2
119.05029	1.5
123.04526	5.3
125.02448	8.0
127.07657	1.4
128.03566	1.4
130.08688	1.5
135.04543	4.8
137.02399	1.9
143.03484	1.1
148.05263	1.5
152.01161	11.8
152.03523	16.4
153.01952	2.8
153.05627	1.5
159.06628	1.2
160.04041	3.1
161.02475	2.0
161.04510	4.6
163.07576	1.3
173.04570	6.2
174.01897	0.9
179.03491	1.7
179.05606	2.4
181.05099	1.1
191.05580	2.0
197.04408	0.9
201.05516	1.0
253.14320	1.0
256.13654	0.9
261.38068	0.8
295.11926	1.2
315.07245	3.9
371.20758	1.6
413.23779	1.8
457.21494	1.2
457.26718	1.2
458.10931	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	36.1
59.01381	100.0
60.01708	1.5
61.98833	24.7
71.01386	14.3
71.51959	1.5
72.99291	3.1
73.02930	6.2
75.09354	1.2
78.43856	1.1
83.01401	2.6
85.02961	3.9
86.35358	1.3
87.00880	1.8
89.02444	6.3
91.01910	3.7
92.85789	1.2
93.03450	6.1
95.01379	1.7
96.96024	7.8
99.00875	2.6
99.04519	23.9
100.04872	1.4
101.02447	15.7
107.05048	1.2
108.02174	2.7
109.02973	2.2
113.02456	6.9
119.01378	1.7
121.02946	6.1
123.04504	3.8
125.02440	10.9
130.08690	2.4
135.04529	6.7
135.08203	1.2
137.02444	5.0
143.03458	1.8
144.66681	1.3
146.09421	1.1
147.04393	1.3
151.04010	69.6
151.07608	2.5
152.04372	2.9
153.05588	1.9
161.02463	5.5
161.04544	6.9
173.04512	3.6
179.03499	3.5
179.05623	1.4
181.05003	1.1
197.04570	2.2
231.26869	1.1
266.76129	1.1
270.87952	1.3
295.04581	2.4
351.24997	1.4
394.18015	2.9
457.16351	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	457.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58487	0.1
60.13496	0.1
69.73770	0.6
79.55487	0.1
82.69801	0.1
99.92579	5.6
100.92676	0.3
100.93356	5.5
101.93377	0.2
115.92075	100.0
116.92081	3.8
116.92864	5.9
117.92565	0.2
132.92355	1.2
142.94408	0.3
155.95215	0.2
172.95465	6.5
173.95558	0.3
193.63228	0.1
272.90097	0.1
282.34326	0.2
283.26456	0.8
383.18915	0.5
384.19403	0.2
399.18622	0.3
409.20303	0.9
439.21527	0.3
457.22598	6.4
458.22769	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15968	0.6
57.03461	0.8
58.00587	1.1
59.01378	25.4
61.98821	1.3
63.73083	0.7
65.52250	0.6
69.89904	2.4
71.01383	14.7
72.99305	1.4
73.02932	1.4
83.01396	1.6
85.02943	2.9
87.00872	1.2
88.71022	0.6
89.02442	12.7
95.01392	1.1
96.82796	0.6
98.20576	0.9
101.02443	9.9
113.02446	4.5
119.03487	3.4
141.12839	4.4
143.03555	0.7
155.14438	1.9
214.60413	0.6
232.91249	0.7
249.22287	3.8
277.21707	3.7
291.23343	1.1
295.22766	34.5
296.23090	2.3
393.98358	0.7
398.54309	0.7
427.28455	0.7
457.28052	100.0
458.28320	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33947	1.8
56.30856	2.0
58.00581	2.7
59.01379	71.0
61.98862	2.3
65.90533	2.1
70.18110	4.5
70.18525	6.1
71.01376	69.4
72.99288	3.9
85.02972	5.5
87.00867	4.1
89.02441	93.7
93.72505	1.9
95.01334	2.1
96.45394	2.1
98.19939	2.2
98.78564	2.2
101.02434	20.9
107.27823	2.1
113.02444	16.7
117.43906	1.9
119.03509	15.5
124.95567	2.0
131.03459	3.2
140.30763	2.1
143.03458	7.6
156.66382	2.1
158.79207	2.1
161.04518	5.2
179.05571	23.7
203.28931	2.4
223.82924	2.3
277.21698	100.0
278.21991	5.1
364.61057	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	458.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	34.1
58.03801	0.9
58.81812	0.9
59.01375	71.3
61.98827	100.0
68.54161	1.1
70.36744	2.9
70.43648	0.9
71.01375	18.2
73.02952	11.9
74.02445	0.8
78.95892	0.8
83.01377	4.8
85.02937	4.8
88.98803	2.9
89.02441	4.4
95.01360	1.2
96.95980	1.3
97.02967	1.0
99.04517	34.4
101.02434	26.7
108.02169	3.0
109.02937	7.9
113.02440	6.9
116.92854	4.6
119.03481	1.2
123.04536	9.1
125.02438	15.1
128.03575	1.1
131.03464	1.2
135.04549	1.8
143.03503	3.0
149.04648	1.1
152.01105	3.2
153.01920	11.2
153.05554	16.2
159.02963	1.1
161.04561	9.6
179.05692	0.8
203.05753	1.0
233.10443	0.9
251.11327	18.2
293.12354	15.3
294.12781	1.7
308.76355	0.8
315.07196	2.8
315.10883	4.2
333.15448	3.8
351.16592	1.7
357.08203	1.4
357.12070	1.2
395.15533	31.2
396.15887	2.8
407.22217	0.9
419.16669	1.0
448.31845	1.1
458.17328	3.6
459.10971	1.5
459.19446	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	458.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03158	1.1
57.03447	21.4
59.01378	51.0
60.48940	0.6
61.98828	100.0
64.93906	0.7
71.01374	13.7
71.21337	1.1
73.02946	9.1
78.95912	0.9
80.96522	0.8
81.63209	0.6
83.01365	3.2
83.05030	1.8
85.02943	5.4
87.00886	1.2
89.02446	3.6
95.01391	0.9
96.96004	0.9
99.00883	1.2
99.04510	16.5
101.02444	12.4
101.03104	0.8
102.05590	0.7
109.02940	0.8
113.02445	7.6
116.92885	2.8
117.01941	0.7
119.03518	2.0
120.56985	0.7
121.06628	0.8
123.04525	13.0
125.02432	6.7
125.06085	1.7
128.03548	2.1
135.08179	0.9
138.16231	0.7
143.03484	2.1
153.05571	22.6
161.04507	4.6
165.82851	0.7
179.05577	1.0
195.10310	0.8
211.13440	1.7
220.13437	0.7
222.00606	0.7
251.11343	3.5
253.51799	0.8
255.12453	2.5
289.34064	0.7
293.12350	2.3
297.09814	1.1
315.10782	6.5
333.15399	1.0
357.11887	0.7
395.15546	9.9
458.17868	4.6
459.19089	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	458.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99960	1.3
59.01365	5.8
61.98820	3.0
64.67719	1.1
71.01394	6.2
71.50842	2.1
73.02938	6.8
74.02442	1.2
84.51474	1.3
85.02946	10.8
87.00867	2.3
89.02434	4.4
92.95984	2.2
93.03447	2.5
96.95981	3.7
99.00903	1.6
99.92570	1.4
101.02413	2.2
103.10663	1.3
106.62360	1.6
107.89220	1.2
109.02933	1.6
113.02410	1.4
115.00352	1.6
116.03488	3.5
116.92862	44.0
116.97250	3.5
117.01942	12.4
119.03474	1.3
127.98734	1.2
135.04535	1.3
153.05515	1.2
173.04587	1.5
179.05524	1.5
191.05609	100.0
192.06027	2.8
230.36691	1.4
240.66031	1.3
331.00327	1.3
341.10672	1.5
458.17807	1.4
459.18533	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	458.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	2.5
59.01378	15.2
60.01727	0.5
61.98806	1.6
69.03440	0.4
69.08469	0.5
71.01359	0.9
71.05013	0.8
71.52211	0.6
72.04496	0.8
72.99292	0.9
74.02460	1.0
82.02959	0.5
84.04542	4.8
85.02962	0.7
85.06567	0.5
87.00877	0.7
93.03453	0.9
96.95990	1.0
97.06580	1.5
99.08158	1.0
101.02437	0.7
102.05608	17.5
109.02957	0.5
113.09696	0.9
114.09235	1.4
116.92853	0.9
123.08160	1.1
128.03537	37.7
129.03860	0.5
133.03024	0.4
135.04517	0.9
137.02440	0.6
138.74002	0.4
139.11256	2.5
141.06738	0.4
141.09134	0.5
143.10770	1.0
145.03142	0.4
146.02463	0.6
146.04585	3.8
156.13908	0.9
157.12318	0.9
159.10205	0.4
161.02406	0.7
167.10760	0.7
169.12234	0.6
173.04552	3.7
184.13429	1.2
185.11803	6.1
191.05644	0.9
194.08182	0.4
198.18620	4.4
206.04610	1.2
207.04977	0.5
209.11739	0.6
214.11987	0.7
226.18080	3.1
237.26326	0.4
247.08800	0.9
249.10294	0.8
255.18344	0.5
267.19653	0.6
275.08215	0.6
277.09769	1.6
291.11395	0.5
303.07816	0.6
305.09390	1.4
307.07294	0.6
307.10889	1.0
311.22192	2.0
327.21713	1.5
329.23294	52.9
330.23700	3.9
335.10339	5.2
339.09882	1.1
352.10666	1.8
353.11493	3.3
354.11908	0.9
358.16367	0.4
367.12943	7.2
379.09286	0.6
414.14200	2.2
414.19592	0.6
414.28558	9.8
415.28925	0.7
427.15298	2.7
440.26477	6.5
441.27197	0.6
443.25314	0.4
458.27567	100.0
459.27951	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	458.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.7
59.01384	3.6
61.98825	1.2
62.78295	0.4
63.02909	0.4
64.42301	0.4
69.19054	1.2
69.19475	2.8
69.66517	0.4
71.01376	0.8
71.04993	0.8
72.99299	0.9
74.02467	0.8
82.02966	0.4
84.04540	4.1
85.02948	0.5
89.02428	0.5
93.03474	1.3
97.06585	1.3
98.20634	0.6
99.08160	1.2
100.04042	0.4
102.05608	17.2
109.02197	0.3
109.02962	1.1
113.09683	1.2
114.09224	0.9
116.92844	1.3
119.05014	1.4
123.08154	1.2
127.51738	0.4
128.03539	32.6
129.03929	1.1
130.08751	1.1
133.02950	1.1
134.03728	1.2
135.04526	16.2
136.04890	0.9
137.02448	0.6
137.09685	0.6
139.11296	3.2
143.10751	1.0
146.04591	2.5
146.75978	0.4
156.13925	1.1
157.12357	0.6
157.93532	0.4
159.10332	0.5
161.02455	2.8
163.03989	0.6
169.12334	0.4
170.08195	0.4
173.04544	2.5
179.03499	1.9
181.05093	1.3
184.13470	1.0
185.11824	6.3
191.05595	0.7
198.18639	4.6
201.11243	0.7
209.11775	0.8
210.14977	0.4
214.12050	0.6
226.18100	2.6
227.15903	0.4
270.17117	0.5
311.22324	3.0
327.21637	1.4
329.23300	48.2
330.23587	3.4
414.28537	9.1
415.28604	0.5
440.26486	7.5
441.26749	0.8
458.27579	100.0
459.27985	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23385	1.0
57.03440	3.4
58.00565	1.7
59.01379	30.4
61.98813	3.9
67.01868	1.2
68.99818	1.2
69.03436	2.2
69.27278	8.8
71.01378	16.2
72.99299	7.1
73.02931	2.7
75.00871	15.8
83.01381	1.9
85.02948	25.3
87.00875	8.9
87.04485	1.1
89.02444	3.6
89.97300	0.9
93.03442	3.3
95.01375	6.4
99.00877	11.5
99.04491	1.1
99.92625	1.1
101.02425	3.8
102.05624	1.1
103.00365	2.7
105.00137	8.9
109.02963	2.0
113.01733	1.7
113.02449	25.2
115.00352	2.6
116.92848	5.5
117.01932	4.7
121.02950	94.3
122.03285	2.9
122.06132	1.3
125.02467	1.0
127.04050	1.0
128.03490	1.9
129.01944	1.8
135.04497	2.8
135.98363	1.5
161.02399	2.2
163.03894	1.0
173.04520	4.7
175.02321	2.3
191.05530	1.8
223.09677	1.8
231.05061	4.2
249.06145	42.1
250.06424	1.3
353.08862	5.0
353.13071	1.3
371.09802	100.0
372.10263	5.6
375.27570	1.7
385.84647	1.1
441.16559	1.0
459.09695	27.7
459.16138	2.6
459.23276	4.3
459.29565	2.0
460.09958	2.8
460.29065	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.2
60.96994	0.5
68.64248	0.4
69.40412	0.3
69.87725	1.8
71.01389	1.3
73.02945	42.3
76.96513	1.3
77.37119	0.4
78.60932	0.3
89.02452	1.1
92.95998	2.9
98.20013	0.4
99.00866	5.2
99.92589	0.9
101.02423	0.5
109.03805	0.4
113.02467	0.5
116.46181	0.3
116.92864	11.0
116.96022	0.7
116.97258	1.8
117.01941	100.0
117.92880	0.5
118.02293	1.6
122.56378	0.3
150.41153	0.5
176.98129	1.3
178.64420	0.4
179.05641	0.5
188.40402	0.5
191.05765	0.5
211.11665	0.4
237.00208	1.0
290.12283	0.4
296.47247	0.4
341.10910	1.0
399.05692	0.6
451.62140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.4
58.00573	0.3
59.01377	32.7
61.98812	1.1
63.04128	0.3
69.31053	0.6
69.31461	1.7
71.01019	0.5
71.01380	6.5
72.99284	0.7
73.02939	6.8
81.03448	0.5
83.01383	1.6
85.02949	2.3
87.00861	0.7
89.02442	3.1
90.98272	0.3
93.03551	0.3
95.01377	0.4
95.05004	0.4
97.02958	1.0
98.20672	0.6
99.00880	0.5
99.04500	0.9
101.02440	8.6
108.02182	1.7
109.02986	1.6
113.02467	2.5
116.92842	1.9
119.03487	1.1
121.02943	0.8
121.06544	0.5
122.03690	0.5
123.04521	52.3
124.04823	1.2
125.02438	0.8
125.35897	0.3
128.03479	0.4
129.43001	0.3
131.03595	0.4
135.04510	1.2
135.08269	0.3
137.05994	0.4
143.03485	0.4
146.34573	0.3
149.04549	1.0
151.03983	0.4
151.07626	0.5
152.01144	1.7
153.02170	1.8
153.05568	100.0
154.05898	3.3
158.01913	0.3
161.04510	1.8
163.07690	1.0
179.03592	0.4
179.05556	0.5
181.08798	0.4
193.12289	0.4
195.06677	0.5
197.04509	0.3
237.11336	0.6
297.09842	0.9
315.10831	21.1
316.11276	1.2
345.19205	0.9
355.17615	0.7
357.11908	5.6
357.16119	0.5
358.12152	0.4
373.18735	1.3
397.15289	0.7
415.19757	0.4
441.18167	0.3
459.12286	0.7
459.18982	10.2
460.19308	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95122	0.4
57.03444	8.1
59.01377	11.0
61.55984	0.4
64.81980	0.4
68.12633	0.4
69.23836	2.4
69.24255	1.1
71.01402	1.9
73.02928	1.4
85.02930	0.8
89.02451	0.7
98.19962	1.0
99.04533	0.6
101.02441	3.1
112.56760	0.4
113.02467	1.2
121.02958	0.9
122.03712	0.7
123.04523	55.8
124.04871	1.4
153.05571	100.0
154.04797	0.4
154.05881	2.3
161.04515	0.5
179.05539	0.4
297.09796	0.9
303.28372	0.5
309.14648	0.5
315.10840	21.7
316.11154	1.6
357.11853	5.7
358.12103	0.5
397.15164	0.7
459.15063	1.3
459.19748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.5
59.01381	33.9
59.54329	0.5
69.43268	3.4
71.01376	6.2
72.99286	1.2
73.02955	4.8
83.01386	1.4
85.02932	1.6
87.00842	0.8
89.02457	4.4
94.50622	0.7
95.01374	0.7
95.04996	1.0
96.95992	0.6
96.96999	0.6
98.19902	0.8
99.04502	2.0
101.02444	7.3
108.02125	0.7
111.08255	0.5
113.02457	2.2
116.92881	5.8
119.03477	1.8
123.04522	53.6
124.04852	1.0
128.03548	2.1
135.04541	2.4
136.21051	0.6
137.06026	0.6
143.03491	1.0
149.02451	0.6
153.05571	100.0
154.05890	4.5
161.04582	1.6
197.04599	1.0
201.11288	1.0
208.03815	1.1
209.11827	1.3
223.06107	2.0
237.11459	0.6
241.05092	0.8
285.04178	0.9
309.14758	1.0
310.15021	0.8
315.10815	19.4
316.11307	1.2
355.17758	1.0
357.11957	6.3
362.13651	0.6
373.18353	0.9
441.15253	1.2
443.12256	0.7
459.18658	8.6
459.24738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03162	0.6
57.03444	9.0
58.00584	1.0
59.01376	100.0
60.01711	0.9
60.99317	0.3
61.98832	3.9
66.37868	0.3
69.03446	1.1
70.63570	0.3
71.01379	27.6
71.20886	0.7
72.01736	0.6
72.99316	1.5
73.02942	23.0
75.00881	0.5
80.96481	0.4
81.03455	0.9
82.28871	0.3
83.01381	6.9
83.05011	5.9
83.81027	0.3
85.02945	8.2
87.00880	1.1
88.98800	0.4
89.02438	10.8
95.01356	1.7
95.05064	0.8
96.95986	0.6
97.02955	0.7
97.06598	0.8
99.00881	1.4
99.04519	1.3
101.02439	22.6
102.02785	0.7
105.07110	1.0
107.05048	0.4
108.02178	0.4
109.02939	0.5
113.02443	13.4
113.15964	0.3
116.92858	3.0
119.03497	4.1
121.06676	0.3
123.04523	9.6
123.08158	3.0
125.02422	1.3
125.06068	4.2
127.04002	0.5
131.03500	1.1
135.04533	0.6
135.08171	2.0
137.06018	0.4
143.03485	2.7
149.04573	2.4
149.09700	0.4
151.07703	0.5
153.01942	0.4
153.05565	16.6
153.09233	1.1
154.05937	0.9
155.03442	0.6
155.08643	0.3
157.10155	0.6
159.03012	0.8
159.08118	0.5
161.04556	7.0
175.11282	2.9
177.09224	0.5
179.05602	3.0
191.05464	0.4
191.10777	0.6
193.12364	2.0
195.10292	0.5
203.05687	1.0
211.13374	4.7
219.10294	1.5
221.06677	0.6
237.11340	1.6
255.12347	8.6
297.09955	0.4
315.10840	4.1
357.11722	0.9
373.18686	0.6
396.15997	0.5
399.16660	2.1
417.17847	1.5
418.17914	0.6
459.18808	24.4
460.18982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	100.0
59.01379	80.6
61.35583	0.6
61.98836	2.0
68.70274	0.8
69.03462	0.9
69.83980	1.3
69.84367	2.0
71.01379	19.5
72.99314	1.8
73.02935	6.9
81.03473	1.7
83.01402	3.2
85.02961	4.4
87.00896	2.3
89.02441	13.8
89.02950	1.1
93.03494	0.8
95.01361	1.0
96.96038	0.8
97.06583	0.8
98.19914	0.9
99.04518	80.4
100.04881	2.1
101.02442	34.6
105.01982	1.1
113.02444	8.9
116.92883	2.2
119.03493	5.4
121.02927	3.7
123.04488	3.3
125.02433	23.9
131.03572	1.3
133.76155	0.8
136.58521	0.7
143.03519	3.0
149.04575	1.3
152.07123	0.9
161.02466	2.4
161.04573	3.4
173.04642	1.7
179.03706	0.8
179.05661	3.8
191.05724	0.9
215.07185	2.1
215.86201	0.7
229.08856	1.0
313.07098	1.4
315.18124	8.9
322.05624	0.7
351.22311	0.9
354.69089	0.7
357.19525	1.2
401.08618	1.5
459.23190	4.0
459.29837	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
58.00595	1.1
58.03793	1.0
59.01377	94.6
61.98837	1.8
69.66100	3.8
71.01379	17.6
72.99319	1.4
73.02943	4.4
81.03461	1.5
83.01387	2.3
85.02960	3.9
87.00887	2.0
89.02441	22.0
94.22430	0.7
95.01379	1.2
98.20161	2.0
99.04517	85.0
100.04874	1.5
101.02440	33.9
113.02440	7.8
116.92909	1.3
119.03495	7.3
125.02442	25.3
125.03329	1.3
126.02861	1.2
131.03543	0.9
135.04546	0.8
143.03513	3.6
145.09320	0.7
149.04581	0.9
161.04567	3.2
173.04620	0.8
179.05626	3.3
211.98178	0.8
243.15524	0.7
295.88986	0.9
315.18109	15.8
316.18497	1.2
357.19235	4.1
397.22562	1.1
459.22534	14.4
459.29465	3.4
460.22714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2904
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
52.09615	0.3
60.31670	0.3
61.98815	0.4
72.21405	0.4
96.63308	0.3
107.05020	28.8
108.05356	0.7
126.10754	0.3
128.16353	0.3
147.08157	0.4
150.08118	0.4
152.99220	0.3
163.11273	100.0
164.11580	3.9
238.10150	0.4
273.23990	0.3
283.17004	27.1
284.17386	1.3
295.17004	15.7
296.17349	1.1
322.55478	0.4
376.41794	0.4
459.29010	81.1
460.29282	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38662	2.8
50.88964	3.1
58.00580	6.1
59.01376	69.1
60.89307	2.8
71.01379	63.3
87.00852	2.9
89.02438	100.0
95.01404	3.1
98.20753	6.1
99.78983	2.9
101.02420	21.1
113.02409	18.4
119.03481	15.8
125.85591	3.0
143.03529	7.3
149.04550	2.9
152.99623	5.5
153.91322	3.6
161.04539	3.1
163.11192	5.1
179.05605	24.3
237.04485	2.7
279.23239	69.3
280.23737	7.5
364.29855	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	460.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.3
59.01383	2.6
61.98829	100.0
70.01914	1.1
71.01402	0.3
72.99310	0.8
83.05042	0.4
85.02945	0.3
88.98808	0.6
91.04025	0.4
93.03455	0.6
98.19983	0.4
102.05634	0.6
114.11427	0.3
119.05044	0.4
128.03560	0.8
135.04526	0.9
156.06650	0.5
156.58459	0.3
158.49307	0.3
159.04579	0.5
161.02499	0.9
166.56378	0.3
171.10271	0.4
179.03502	0.7
181.05057	0.4
181.06604	0.6
199.02760	0.4
200.03113	0.7
207.10274	0.5
220.65376	0.3
225.05518	0.4
251.03545	0.7
253.05078	2.9
279.02960	0.8
287.20203	0.3
297.04010	7.1
297.07190	0.5
305.07401	0.3
309.04163	0.4
327.21848	1.7
327.77667	0.3
353.04431	0.3
389.21942	0.3
460.23087	0.4
460.28790	0.7
461.08530	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	460.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98828	100.0
63.35571	0.2
66.11948	0.3
69.73325	1.7
70.47179	0.3
71.01393	0.4
72.99307	0.3
78.95934	0.3
85.02979	0.4
88.98807	0.3
93.03434	0.4
97.06605	0.3
102.05605	0.7
116.92818	0.4
119.05022	0.5
127.04093	0.3
128.03531	0.7
135.04547	0.9
137.02498	0.3
151.03929	0.3
152.99638	0.6
161.02441	1.0
173.04639	0.5
173.06085	0.3
179.03519	0.7
181.06644	0.7
186.66792	0.3
201.05652	0.3
251.03470	1.4
253.05077	3.1
279.03134	0.7
297.04037	9.1
327.21637	1.8
330.26508	0.5
460.28394	0.9
461.08640	2.2
461.31308	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34278	0.5
51.72818	0.5
57.03430	2.1
58.00575	0.9
59.01381	11.3
60.01718	0.6
61.98832	4.4
71.01389	2.1
71.52750	0.7
72.99324	0.6
73.02930	1.0
74.02470	0.6
84.04555	4.5
85.02952	0.9
88.04063	0.6
96.95972	0.9
97.06609	0.5
97.44972	0.5
100.04021	0.6
101.02428	1.2
102.05608	15.1
104.80135	0.6
107.05010	0.6
109.02957	0.7
109.06609	0.9
113.02415	0.6
113.09703	0.8
114.09216	1.8
116.22855	0.5
117.92912	0.6
119.05036	1.0
123.04481	0.7
123.08173	0.8
128.03537	34.2
132.03029	1.5
135.04478	1.0
137.02423	0.8
139.11269	1.0
143.10762	1.4
145.02922	0.6
146.04605	3.5
150.55849	0.6
153.09171	1.9
154.20653	0.6
156.13841	1.1
156.81284	0.5
157.12299	0.6
161.02394	0.8
161.50647	0.5
169.12300	1.5
173.04514	1.8
184.13438	0.6
185.11757	1.2
198.18614	4.1
226.18109	2.6
245.96541	0.6
277.04340	0.5
295.22797	1.6
313.23795	7.0
314.23932	0.6
329.23337	1.8
331.24881	51.9
332.25177	4.3
398.29398	0.8
416.30124	10.3
417.30487	1.0
442.28119	5.7
460.29144	100.0
461.23752	2.5
461.29544	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	460.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	0.4
61.98827	100.0
69.59544	0.3
69.81178	1.5
78.09898	0.3
78.95880	0.2
99.42774	0.3
105.23043	0.3
125.20908	0.3
130.08743	3.5
143.11893	5.0
152.99619	0.7
158.54472	0.3
165.18211	0.3
173.81717	0.3
187.10822	0.5
259.49237	0.3
266.21143	0.4
272.10147	0.3
397.30670	7.1
398.30951	0.4
411.33167	0.3
461.31390	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.203
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92299	0.5
55.01890	0.6
57.03448	1.4
59.01380	100.0
60.01698	1.0
61.98837	0.7
63.46821	0.5
70.50970	1.1
70.51311	0.9
71.01382	17.1
72.99306	0.9
73.02947	3.6
83.01434	1.4
85.02959	4.5
87.00874	1.1
89.02447	19.0
91.79588	0.6
93.03471	1.4
94.98106	0.7
95.64883	0.5
96.96034	1.3
99.00895	1.4
101.02451	10.5
113.02453	6.5
119.03508	7.6
123.08110	1.6
131.03560	0.8
135.08180	0.7
137.02446	2.4
139.53281	0.7
143.03535	2.3
149.04514	1.1
153.05420	0.7
159.03059	1.1
161.04543	7.6
161.09767	0.8
163.04111	0.7
163.07726	1.2
173.04659	0.7
177.09222	0.7
179.05605	9.2
181.08824	0.9
191.10814	1.0
193.12341	0.8
203.10779	2.9
209.11880	1.3
212.05138	0.6
221.11813	7.1
239.12950	2.3
371.17166	4.9
375.20209	0.7
401.18192	1.8
461.20554	4.1
462.20578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64593	0.5
56.05934	0.6
57.03437	3.2
58.03770	0.6
59.01378	100.0
60.01707	1.1
61.98819	0.8
71.01381	11.1
72.99301	0.8
73.02952	3.6
75.00882	0.8
83.01382	1.0
83.05006	0.6
85.02953	3.1
87.00883	0.9
89.02444	11.3
95.01370	0.8
96.96027	1.3
99.00894	0.8
100.97366	0.5
101.02440	9.1
109.02929	0.8
113.02448	6.9
115.04020	0.6
119.03477	5.1
123.04524	8.6
123.08195	1.6
124.04864	3.0
125.02472	0.7
125.05032	1.3
131.03461	0.6
135.08183	1.6
143.03522	1.9
149.04593	0.9
153.05569	14.4
153.06758	1.1
154.05907	6.9
155.06044	5.0
161.04552	7.4
161.09746	1.4
163.07669	0.8
165.09219	0.7
167.76701	0.6
173.04572	0.5
175.11259	1.0
177.09169	3.2
179.05621	6.1
179.10823	0.9
185.09787	0.6
201.09178	1.0
203.10728	6.0
207.10281	1.1
214.75078	0.6
221.11827	8.2
225.11351	1.0
239.12880	5.3
285.04233	0.7
300.92758	0.6
315.10928	0.7
316.11340	1.0
317.11264	2.9
359.12656	1.1
363.47452	0.6
401.18176	12.8
402.18954	0.9
461.20517	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	461.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.5
57.03446	1.7
58.00587	1.1
59.01378	100.0
59.19193	0.5
59.56475	0.4
59.88922	0.6
61.98839	0.7
68.68748	0.7
69.03444	0.8
70.40649	1.1
70.40987	1.0
71.01379	24.4
72.65580	0.6
72.99318	2.0
73.02945	9.5
78.95908	1.1
81.03458	0.7
83.01392	4.1
85.02949	6.9
86.62041	0.5
87.00898	1.5
89.02441	14.8
95.01390	1.4
96.96027	0.9
96.96989	1.0
97.02977	0.9
99.00894	1.6
99.04543	0.7
101.02442	17.0
111.02013	1.0
111.04496	0.6
113.02454	12.8
119.03494	5.4
122.03729	1.1
124.05328	2.1
125.02424	0.8
131.03569	1.6
137.02484	1.5
137.06078	0.9
139.07649	14.0
139.44699	0.6
140.08130	0.6
143.03496	2.6
149.04591	0.8
149.09695	1.0
152.62180	0.5
153.05482	0.6
159.03076	0.7
161.04559	9.2
165.12930	0.6
168.07893	6.8
176.08553	0.8
179.05589	2.6
179.10774	0.8
191.10739	6.1
209.11856	2.7
213.15033	1.6
214.88483	0.6
221.11797	4.7
238.03751	0.6
239.12863	11.7
240.13246	1.0
315.75403	0.6
357.19177	8.4
371.16989	3.2
372.13324	0.6
375.20212	7.3
401.18164	24.4
402.18817	2.2
431.18674	0.6
461.13455	1.3
461.20178	10.0
462.20764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.8
55.56478	1.1
57.03445	4.6
59.01377	100.0
59.14811	1.3
70.15534	4.7
71.01379	49.1
72.01700	1.3
72.99313	2.2
73.02947	17.8
77.60132	1.1
81.03417	1.2
83.01382	4.6
84.08862	1.2
85.02950	20.0
87.00875	1.7
87.04551	1.2
89.02443	23.2
93.03455	2.1
95.01401	3.0
95.05041	1.3
96.96046	1.7
97.02955	2.6
99.00876	4.2
101.02445	26.2
108.02169	1.3
113.02444	18.8
113.06116	1.5
119.03500	8.4
123.04507	2.2
123.08116	2.0
125.02408	1.5
133.05078	3.9
137.02464	2.3
137.06090	2.0
138.06862	15.2
138.62067	1.4
139.07639	5.4
143.03506	3.1
149.04588	1.7
149.06004	1.4
151.07619	12.0
152.08395	6.8
153.09212	72.9
154.09540	2.8
159.02982	3.7
161.04549	28.8
161.09662	2.9
165.09204	15.0
167.07088	1.4
179.05550	7.6
179.10823	2.8
181.88441	1.2
191.10693	3.2
195.11024	1.2
203.10736	7.0
206.09488	5.7
221.11819	53.0
222.12141	2.2
239.12874	59.9
240.13297	2.0
243.18723	1.2
249.09702	3.8
383.16904	2.6
401.18115	19.1
424.23370	1.4
461.20218	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	461.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19949	0.6
57.03447	3.9
59.01380	3.3
61.98814	1.9
68.58411	0.5
68.99915	0.5
69.50752	1.7
69.51162	1.7
69.68198	0.6
71.01347	0.5
78.95908	6.1
86.32372	0.5
97.06551	0.7
109.06571	1.2
110.98534	6.2
111.72691	0.5
113.09729	16.6
116.92804	0.5
139.11290	2.2
152.99588	0.9
167.01105	2.0
167.10764	2.3
177.12845	0.7
179.10736	2.4
183.13841	0.9
185.02182	6.4
195.13852	2.5
207.23055	0.6
249.22244	2.4
249.78694	0.6
252.79155	0.5
275.20169	0.9
293.21216	100.0
294.21609	6.3
302.95679	0.5
304.28629	0.5
437.27164	0.5
461.23141	17.7
462.23416	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65160	1.8
57.03423	3.3
57.80182	1.8
59.01378	86.9
61.98829	24.6
63.96244	1.8
69.03436	2.0
70.77135	5.6
71.01363	3.8
72.99292	7.1
78.95905	5.5
84.95105	4.9
85.02944	10.0
88.98803	3.3
89.02435	3.7
91.04007	19.7
93.03455	2.9
101.02453	4.3
102.05627	2.7
109.06573	4.3
113.02399	2.2
118.98107	2.3
121.02918	6.3
123.04512	3.6
125.09740	1.9
128.03477	2.9
133.02936	3.0
134.03787	2.0
135.04491	8.2
137.09741	3.6
152.99550	3.2
158.78848	1.8
158.82648	1.8
161.02432	13.2
167.03445	2.2
171.10272	22.1
172.05164	2.0
173.04533	4.6
179.03470	3.8
183.13873	3.3
187.03909	2.5
187.07607	4.2
201.05571	2.5
201.11432	2.0
207.10266	7.2
209.11732	2.8
211.13417	10.1
213.09023	2.4
221.11958	2.0
225.11282	5.2
229.14412	7.5
291.19592	3.9
297.08679	5.2
309.20712	14.8
311.11438	2.3
327.21738	100.0
328.22025	6.4
357.10733	4.1
362.14340	1.9
376.27563	2.5
401.25406	2.5
417.12744	3.1
461.10910	2.5
461.19397	4.6
461.25754	4.1
461.31400	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	463.0886
Annotation	8-Hydroxyluteolin 8-glucoside
Peak:m/z	Relative Intensity
57.03453	3.9
59.01382	33.7
61.98835	4.4
63.02416	0.5
64.63441	0.4
65.00342	1.3
71.01385	5.9
71.05017	0.6
71.21041	1.0
72.99339	1.4
73.02970	2.1
80.02687	1.0
81.03472	1.4
83.01383	2.2
83.05025	3.7
83.38776	0.5
85.02980	2.4
87.00906	1.1
89.02445	4.3
89.02852	0.4
89.13594	0.5
93.03488	1.9
95.01420	0.7
95.05054	1.1
97.06620	0.8
99.00897	0.7
99.04539	3.3
101.02451	6.9
107.01401	3.0
107.05045	0.5
108.02184	1.1
109.02948	3.0
109.06635	0.5
113.02470	3.8
115.00396	0.6
119.01418	0.5
119.03544	1.2
119.05032	0.8
121.02984	2.6
123.00898	0.6
123.04559	0.8
124.01695	0.8
125.02475	1.4
125.06092	0.6
130.99878	0.6
133.02985	0.9
134.03795	0.6
135.00888	0.8
135.04553	2.3
135.08228	0.6
136.99132	0.5
137.02457	1.4
139.04056	1.0
139.11353	1.2
143.03564	0.7
147.04503	0.5
148.01669	0.7
151.00378	10.7
151.03954	1.2
152.03531	2.6
153.01924	0.6
153.05544	0.5
159.04573	0.5
161.02469	1.2
161.04572	2.1
163.00392	2.7
163.04066	1.3
163.11293	3.7
164.01198	0.6
164.07068	0.6
165.12825	2.0
173.04585	0.8
178.99876	5.0
179.03546	1.1
179.05585	1.3
181.05063	0.9
181.12325	1.8
183.10237	1.6
187.04085	0.9
191.10759	1.1
193.07161	2.8
199.03893	0.6
199.13390	2.5
201.05524	1.1
207.13870	0.7
209.11824	100.0
209.63278	0.4
210.12158	3.3
211.03999	1.1
223.13225	0.6
225.11327	0.8
225.15056	0.9
226.02742	0.9
227.03491	1.9
227.12889	28.8
228.13200	1.1
229.05006	0.7
239.12746	0.6
243.03001	5.2
245.04573	0.9
253.09279	13.2
254.02104	1.4
255.02991	10.7
256.03467	0.9
257.13000	1.0
271.02478	25.2
272.02927	2.5
273.03937	0.9
281.06671	0.5
283.02368	1.3
287.14853	0.6
297.16959	0.7
299.01987	1.2
300.02750	40.9
301.03516	51.8
301.11856	1.1
302.03879	2.9
315.18130	2.4
402.30231	0.5
403.10138	0.7
407.92343	0.5
426.53244	0.5
445.07764	28.4
445.20697	3.6
446.07944	2.0
463.08368	11.1
463.21643	25.1
464.08978	0.9
464.21893	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	463.0882
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
58.29578	0.7
61.10627	0.7
65.00333	0.8
70.74238	0.6
71.27633	0.7
71.27971	1.4
75.58692	0.7
99.80840	0.8
107.01376	3.2
108.02180	2.1
109.02934	2.1
119.01427	0.7
121.02895	2.0
148.01660	2.6
151.00362	11.6
159.04541	0.9
163.00333	2.2
178.99879	6.4
199.04056	1.1
209.11739	1.5
211.03935	1.4
226.02727	2.5
227.03537	3.7
227.12801	2.6
229.04956	1.0
243.03011	13.6
244.03485	1.0
245.04495	1.1
254.02150	2.7
255.02975	28.3
256.03452	1.5
271.02463	63.0
272.02863	6.1
283.02390	1.0
299.02014	1.0
300.02740	100.0
301.03482	56.0
302.03854	2.2
444.29092	1.0
463.08807	92.8
464.08990	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	463.1245
Annotation	Keyakinol
Peak:m/z	Relative Intensity
56.93401	0.2
57.03446	0.4
59.01377	3.8
60.08113	0.2
61.98833	1.2
65.03972	0.5
69.74113	0.5
69.74516	0.7
71.01372	0.8
72.97566	0.2
72.99295	0.7
73.02950	0.2
78.95916	0.3
80.16866	0.2
83.01413	0.3
85.02951	0.7
87.00872	0.5
93.03455	45.5
94.03792	0.9
95.01374	0.4
96.96008	0.2
97.02937	0.5
99.04538	0.3
99.18874	0.2
101.02425	0.3
109.02966	0.3
113.02439	0.9
116.92817	0.2
118.98049	0.4
119.05022	0.5
122.03802	0.2
123.00879	3.2
123.04533	0.3
124.01665	10.6
124.27437	0.2
125.02398	1.0
128.03540	0.3
133.02983	0.4
135.04568	1.2
137.02440	100.0
138.02710	2.7
139.04015	6.2
147.04549	0.3
149.02498	0.3
150.03262	0.6
151.04016	0.7
152.99577	0.4
154.40508	0.3
161.02422	1.5
163.04019	0.3
165.05603	0.3
175.03915	0.3
179.03499	0.6
181.05077	0.3
185.11876	0.3
201.05489	0.2
209.11865	0.7
227.12981	0.3
235.06201	1.1
255.06721	0.3
263.05545	0.7
281.06598	0.5
300.02792	0.4
313.18463	0.2
315.16360	0.3
389.80896	0.2
403.10281	4.9
404.10773	0.6
421.11444	2.1
463.12292	0.7
463.20032	0.8
463.25693	1.4
464.25925	0.3
464.46301	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01283	0.3
57.03450	2.4
59.01375	1.7
61.70355	0.3
61.98823	1.3
65.38728	0.4
70.46741	0.4
70.47092	1.3
76.26321	0.4
78.95902	54.1
83.21394	0.4
96.96960	5.5
99.04507	2.1
101.02454	0.5
150.97989	1.5
152.99582	100.0
153.99931	0.8
161.02437	0.7
171.00627	5.3
209.11870	0.9
295.22314	1.1
382.70151	0.4
463.20938	14.2
464.21249	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	463.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03444	1.3
58.00587	0.4
59.01378	8.0
60.30992	0.2
61.45022	0.2
61.98820	0.7
69.03483	0.2
69.53880	0.2
69.71447	0.8
69.71862	0.4
71.01376	4.0
71.04995	0.2
72.99310	0.6
73.02946	1.4
74.99073	0.3
75.00876	0.4
80.02678	1.2
81.03455	1.0
83.01396	0.6
83.05026	4.8
84.02146	0.9
85.02954	1.2
87.00871	0.6
89.02448	2.6
93.03455	1.0
95.01395	0.4
95.05011	0.8
96.95997	0.7
97.02975	0.3
97.24911	0.2
98.19962	0.2
99.00881	0.2
99.04518	1.1
101.02438	3.8
107.01443	0.2
107.05042	0.5
108.02161	1.2
109.02930	0.7
113.02467	1.6
119.03471	0.9
119.05022	0.4
121.02940	0.9
123.00891	0.5
123.04548	1.2
125.02444	0.5
125.06051	0.4
125.09722	0.4
127.07669	0.2
131.03549	0.2
133.03008	0.3
135.04546	0.9
135.08163	0.6
137.02432	0.5
143.03522	0.5
147.11778	0.2
151.00346	0.3
151.04015	0.4
152.01183	0.4
153.01910	0.4
153.05595	0.7
161.02406	0.8
161.04498	1.6
163.03926	0.2
163.11284	3.4
165.01913	1.4
165.12839	2.7
167.03529	0.9
173.04532	0.5
179.03465	0.3
179.05614	0.4
181.12326	0.8
191.05672	0.3
191.10716	1.0
199.13356	1.0
209.11815	100.0
210.12134	4.1
217.08673	0.3
227.12881	20.1
228.13171	0.8
235.08133	0.6
243.16280	0.2
253.09276	13.8
254.09589	0.3
255.02968	0.6
261.07709	0.2
263.12878	0.6
271.02454	1.4
287.14978	1.9
289.07297	0.3
300.02722	2.3
301.03659	1.3
309.06055	0.5
311.07715	0.5
315.18176	0.3
319.17331	0.3
351.81403	0.2
355.05988	0.2
364.82257	0.2
389.17999	0.6
403.10394	0.7
419.13980	0.4
419.18988	1.7
445.20828	0.2
463.08337	1.2
463.12753	1.1
463.22028	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	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
59.01378	6.0
61.98827	0.8
71.01376	2.7
71.28445	0.5
72.99331	0.3
73.02960	0.6
75.50044	0.3
78.95926	0.3
79.56467	0.3
80.02679	0.7
81.03459	1.0
83.01380	0.4
83.05016	4.3
84.02172	0.9
85.02937	0.6
87.00880	0.6
87.04237	0.3
89.02451	2.9
95.05017	0.5
95.56203	0.3
99.04513	0.7
101.02446	3.1
109.02880	0.3
113.02442	1.2
119.03493	0.8
125.06044	0.5
125.09690	0.3
134.66945	0.3
135.04521	0.3
135.08125	0.5
139.01149	0.3
141.58006	0.3
143.03526	0.3
151.00378	0.3
151.04059	0.6
152.03535	0.4
161.04538	1.2
163.11261	3.7
165.12827	1.9
179.05585	0.4
181.12282	0.7
191.10719	0.7
199.13380	0.4
209.11807	100.0
210.12125	4.7
227.12869	18.8
228.13127	0.6
235.08199	0.3
253.09259	12.9
255.02975	0.5
271.02521	1.0
300.02707	1.0
301.03415	1.6
301.11829	0.3
341.10892	0.3
445.07886	0.7
463.20941	0.4
464.20642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80576	0.2
54.00338	0.2
55.01874	0.4
57.03442	1.2
58.00582	0.2
58.72204	0.2
59.01379	7.3
61.98818	0.9
63.10113	0.2
69.33721	1.3
71.01381	3.7
72.99297	0.2
73.02944	1.0
74.02454	0.2
75.00852	0.3
80.02677	1.1
81.03448	1.0
83.01369	0.6
83.05023	4.8
84.02177	1.0
85.02950	0.9
87.00873	0.5
89.02443	3.6
92.57339	0.2
92.86297	0.2
92.89528	0.2
93.03444	0.6
95.01411	0.3
95.05036	0.6
98.20003	0.6
98.20683	0.3
99.00872	0.3
99.04498	0.9
101.02441	4.2
107.05017	0.5
108.02175	0.9
109.02992	0.4
109.06593	0.4
113.02449	2.0
119.03503	1.2
119.05030	0.2
121.02969	1.0
123.00864	0.2
123.04526	1.0
125.02379	0.4
125.06062	0.3
125.09743	0.3
135.04492	0.5
135.08188	0.7
137.02368	0.5
143.03577	0.3
147.11871	0.3
149.99510	0.3
151.00363	0.3
151.07623	0.4
153.02005	0.2
153.05611	0.5
161.02386	0.3
161.04561	1.6
163.11288	3.8
165.01967	1.7
165.12827	2.9
167.03514	0.5
173.04565	0.3
179.03452	0.3
179.05507	0.4
181.12358	0.5
191.05701	0.2
191.10762	1.0
199.13412	1.6
207.10115	0.3
209.11818	100.0
210.12131	4.5
219.13881	0.3
227.12877	22.9
228.13228	0.9
235.08240	0.5
242.40102	0.2
243.03053	0.3
251.12933	0.2
253.09282	12.4
254.09610	0.4
255.02928	0.3
263.12836	1.4
264.12970	0.2
271.02393	1.0
287.15039	0.8
299.99582	0.3
300.02582	1.4
301.03564	0.5
309.06174	0.9
311.07538	0.3
316.93219	0.2
355.06662	0.6
403.10474	0.5
419.13989	0.4
419.18817	1.2
445.20947	0.3
463.08142	0.7
463.12753	0.7
463.22238	1.5
464.21967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49355	0.2
50.52275	0.2
59.01377	4.3
67.26501	0.3
69.29638	0.8
69.30050	1.2
70.45489	0.2
71.01382	2.9
72.99303	0.3
73.02940	0.7
74.93185	0.2
75.21816	0.2
80.02684	1.1
81.03441	0.9
83.01405	0.6
83.05030	4.5
84.02146	1.4
85.02947	1.0
87.00854	0.5
89.02435	2.7
93.03464	0.5
95.05027	0.6
98.19872	0.3
101.02432	3.0
113.02445	1.4
114.71416	0.2
119.03513	0.4
123.00893	0.4
125.06064	0.8
131.03476	0.3
135.08101	0.4
137.02435	0.6
138.03152	0.2
146.97112	0.2
147.11731	0.2
150.71559	0.2
151.14276	0.2
161.04559	1.4
163.11288	3.5
165.12874	2.6
179.05521	0.3
181.12279	0.7
191.10750	0.8
209.11818	100.0
210.12148	5.1
227.12885	16.2
227.16219	0.3
228.13206	0.9
235.08279	0.4
253.09279	12.8
254.09622	0.4
271.02539	0.3
272.44968	0.3
276.91357	0.2
300.02744	0.5
330.97891	0.3
419.19379	0.8
445.20978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24678	0.4
57.03442	2.5
58.00584	0.6
58.23048	0.4
59.01377	100.0
60.01725	0.7
61.98828	11.2
69.53495	0.7
69.53914	1.9
71.01380	10.0
72.99339	0.4
73.02946	1.3
83.01408	0.8
83.05032	1.1
85.02953	2.0
87.00877	0.8
89.02441	13.6
95.01407	0.4
96.96030	0.8
99.00901	0.5
99.04530	0.4
101.02437	7.0
113.02444	5.0
115.04053	0.4
116.92827	0.4
119.03500	6.5
123.04516	12.2
123.05383	0.7
123.08155	0.7
131.03497	0.7
133.06628	0.6
135.04565	0.5
143.03531	1.5
149.04515	1.0
149.09735	0.4
153.05569	25.5
153.09157	0.7
155.08665	0.7
157.10185	0.8
159.08330	0.4
161.04539	4.1
165.09251	0.6
175.11266	4.5
179.05597	5.4
179.07048	0.5
184.08618	0.3
191.21974	0.3
205.12263	0.6
209.11871	1.1
223.13367	10.0
225.79417	0.4
241.14555	1.2
263.94403	0.4
340.65393	0.4
357.11954	3.0
403.19669	4.6
453.02423	0.4
463.22147	1.7
479.21674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49507	2.1
57.03448	58.5
57.56857	2.1
59.01381	76.9
61.98828	14.7
69.83897	10.9
71.01382	37.8
72.99297	6.0
73.02938	8.7
75.00880	3.8
81.03440	3.7
83.01360	6.2
83.05027	2.4
85.02950	20.6
87.00873	2.5
88.98803	7.2
89.02447	15.5
93.03462	47.4
95.01385	3.2
96.96001	3.4
97.02956	2.6
97.06587	2.6
98.19970	3.3
99.00879	5.2
99.04520	45.1
101.02443	42.0
101.06070	7.4
105.01875	1.9
108.02210	2.4
109.02948	9.2
113.02458	20.4
114.90322	2.1
119.03484	6.6
119.05045	3.6
121.02970	9.9
123.04517	2.7
125.02454	22.2
128.03517	3.5
134.03673	2.8
135.04478	8.1
137.02443	100.0
138.02769	4.1
139.04013	15.2
143.03477	4.6
146.04604	3.9
147.04659	2.2
151.03938	2.0
152.01100	2.7
152.99608	2.5
159.02931	2.9
161.02431	6.4
161.04546	13.8
165.12843	5.8
165.23851	1.9
167.03445	3.0
173.04541	3.6
179.03491	4.0
183.13887	75.2
191.05342	3.2
209.11777	12.3
227.12871	8.2
237.18462	2.3
253.09186	4.6
258.19800	2.2
259.19174	6.1
263.19995	3.8
271.02484	2.3
300.02719	6.0
301.03433	2.4
301.16660	5.9
301.20242	9.6
319.17596	60.0
320.17920	5.0
323.07632	4.1
348.43994	2.1
351.12909	3.7
361.18668	24.8
371.22461	2.1
385.09299	4.0
401.21591	2.7
403.10077	3.8
403.23206	2.3
407.24225	11.2
421.24438	5.8
463.08527	5.9
463.20609	57.4
463.26291	32.6
464.21460	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	463.2184
Annotation	Rosiridoside B
Peak:m/z	Relative Intensity
57.03428	2.4
57.03679	0.6
59.01378	61.5
60.01682	0.6
61.98822	2.7
71.01378	7.4
72.99281	0.9
73.02948	3.9
83.01356	1.2
85.02960	3.9
87.00871	1.0
88.98788	1.0
89.02443	2.8
99.00826	1.3
99.04505	1.4
99.08086	0.6
101.02438	8.0
108.04527	2.4
109.06516	0.6
113.02438	3.4
116.97121	0.5
118.09640	0.6
119.03483	0.7
120.99580	0.7
124.07645	1.2
125.02425	1.1
135.04463	0.9
136.07698	4.1
137.02391	0.7
139.11284	21.4
151.00333	0.6
153.05569	0.7
161.02376	1.1
161.04518	2.6
163.11252	1.5
165.09129	1.6
173.04593	0.6
178.99806	0.7
181.12354	8.3
183.08740	1.4
183.10258	23.6
184.10504	1.2
191.05470	0.7
199.13420	4.3
207.10121	1.0
209.11809	4.7
225.11354	3.3
227.10786	0.8
227.12897	13.1
237.09773	3.5
243.02591	0.6
243.12268	1.7
253.09138	2.4
257.10397	1.0
257.12912	13.7
258.13214	1.1
271.02350	2.0
300.02591	2.5
301.03522	3.5
301.11877	8.1
301.19968	2.4
315.13574	3.7
343.12900	3.1
445.07376	1.8
445.20605	4.9
463.21533	100.0
464.21875	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	463.2465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13321	0.3
57.03427	0.6
59.01364	1.2
69.87135	0.3
69.87435	1.8
78.95902	7.5
110.01875	0.3
110.97829	0.5
110.98531	5.4
113.09711	2.0
115.00376	0.4
136.60864	0.4
152.99631	1.0
167.01184	2.4
177.12836	0.8
179.14406	1.3
181.12236	0.4
185.02217	6.0
195.13898	17.4
196.14290	0.8
277.21713	15.8
278.21979	0.9
295.22763	100.0
296.23117	6.8
335.11154	0.4
463.24652	24.8
464.25021	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	463.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20393	0.7
50.58479	0.8
59.01364	3.1
60.99079	0.7
61.98847	1.9
66.76717	0.8
69.55988	2.5
69.56394	2.3
73.15872	0.7
75.92299	0.9
78.95901	24.8
86.21069	0.8
110.98532	15.7
113.09715	2.8
116.92788	0.9
125.09773	0.9
141.79236	0.8
149.00072	2.7
152.99571	1.8
161.02423	1.8
167.01155	15.9
171.10287	4.3
177.32170	1.0
179.14532	1.3
181.12358	1.1
185.02171	5.4
194.98796	6.0
195.13892	17.4
196.14197	1.0
277.21716	20.9
278.22113	1.5
293.21170	1.9
294.21573	0.8
295.22766	100.0
296.23178	7.2
301.97412	0.8
463.11285	4.7
463.24612	59.9
464.25107	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	463.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17436	0.8
57.03443	1.7
59.01379	80.8
60.01712	1.0
61.98824	3.8
68.99562	4.6
69.00469	0.7
69.46599	5.4
71.01388	1.9
72.99319	3.3
73.02954	0.8
73.46004	0.7
73.51553	0.7
78.95917	2.8
87.00877	1.0
88.98795	1.0
89.02425	2.8
91.04005	17.4
93.03433	0.9
98.19860	0.8
98.20419	3.2
99.04574	1.1
99.08156	2.9
102.05621	1.8
112.98563	5.4
113.09774	0.9
117.03470	0.8
119.05070	1.0
121.02935	1.2
123.04525	1.7
125.02401	1.2
127.11269	2.7
128.03539	1.1
133.02962	3.6
134.03763	1.2
135.04532	3.6
139.11269	7.5
145.02968	1.0
149.02440	3.0
151.03999	6.1
152.99585	3.5
155.10715	1.5
157.12315	3.8
161.02428	9.0
171.10263	25.2
172.10686	1.3
177.02010	1.5
179.03510	2.5
181.05106	1.3
183.13812	1.7
187.07515	1.0
209.11789	3.2
211.13402	10.1
227.12953	1.6
229.14433	4.4
267.06647	2.3
293.21173	1.9
311.05609	3.1
311.22342	11.8
329.23312	100.0
330.23822	6.7
371.24243	1.2
403.26828	2.4
440.06781	1.1
463.14139	1.4
463.20612	1.0
463.27106	3.5
464.26697	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	464.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19531	0.5
57.03431	0.9
59.01070	0.8
59.01379	35.8
60.01719	2.4
61.98829	45.8
66.09341	0.5
68.21395	0.4
69.77065	2.0
69.77484	0.7
70.36412	0.6
71.01375	3.3
82.92480	0.6
83.04987	0.5
85.02947	1.5
89.02455	4.2
95.05054	0.5
101.02464	2.4
113.02456	2.0
114.02750	0.5
114.89016	0.5
119.03453	2.4
121.35474	0.5
122.03799	0.5
123.04523	52.2
124.04894	1.3
153.05573	100.0
154.05882	3.7
161.04549	1.1
175.11273	1.1
179.05626	1.9
204.82175	0.5
223.13417	2.4
224.13730	1.7
277.63855	0.5
310.58926	0.5
357.11893	13.3
358.12170	0.8
403.20026	0.5
404.20135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99156	0.3
59.01379	5.1
61.98829	100.0
68.51463	0.3
69.33367	2.5
69.64011	0.3
71.01382	2.3
73.02950	0.4
78.93751	0.3
83.01392	0.3
85.02976	0.4
86.97457	0.3
89.02458	1.4
96.96034	0.7
101.02461	1.1
109.02991	0.5
113.02472	0.9
119.03539	0.4
123.04520	2.8
135.04503	0.5
153.02013	0.8
153.05573	5.6
161.02516	0.3
165.00102	0.4
192.99561	0.6
357.12119	0.8
404.20416	0.6
405.21075	1.7
465.19336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.4
57.43567	0.4
59.01377	17.4
60.57437	0.3
61.98827	100.0
69.35664	2.9
71.01356	2.2
72.99311	1.1
73.02947	0.7
78.95923	1.5
85.02952	0.9
91.03960	0.7
101.02444	1.1
102.05623	2.0
113.02439	0.7
128.03513	1.9
133.02966	0.6
135.04526	0.9
137.02466	0.7
146.04607	1.3
151.04021	0.5
152.99603	1.0
161.02419	1.6
161.04517	0.7
162.02797	0.5
165.01949	0.4
171.10266	0.4
173.13591	0.4
179.03569	0.7
211.13441	0.5
229.14600	0.5
232.95782	0.4
283.79562	0.5
311.22177	0.4
315.18048	1.8
329.23248	2.3
330.23624	2.6
374.37683	0.4
461.24524	0.4
464.26617	4.0
465.08472	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2651
Annotation	Dehydrodeltatsine
Peak:m/z	Relative Intensity
57.03432	2.4
59.01382	4.3
61.98827	8.5
69.03455	2.6
69.32537	1.5
69.32956	2.4
71.01383	1.4
71.05005	0.9
72.99285	1.1
73.02945	0.9
75.92718	0.5
78.95489	0.8
78.95905	9.1
80.14313	0.7
80.26878	0.5
83.05032	2.5
84.04551	5.4
85.02952	0.9
90.15766	0.6
93.03472	0.6
96.96954	0.7
97.06584	4.0
98.06107	1.1
98.19871	1.0
99.04509	4.0
101.02438	0.9
102.05605	27.2
107.05032	1.3
109.02957	0.9
113.02434	0.6
119.08674	3.0
123.04509	0.9
124.07633	0.8
125.09703	0.7
126.09341	0.6
128.03529	11.7
129.03824	0.6
131.07166	1.1
133.02988	1.4
134.03664	0.8
135.04524	2.1
136.04797	0.6
137.02434	1.0
137.09741	5.9
138.46324	0.6
140.10831	3.9
142.23083	0.6
144.64384	0.6
146.04646	3.3
149.02393	1.0
150.03220	0.8
151.03989	2.2
152.04346	1.1
152.99574	7.0
153.99892	0.6
161.02463	2.8
162.02777	1.1
162.06815	1.3
167.10774	3.1
171.00653	1.0
173.04564	0.9
179.03517	1.2
181.05106	0.7
181.08693	1.1
183.09029	3.9
184.09706	0.8
204.13927	0.7
226.06572	0.6
238.14481	0.9
252.16043	1.7
266.13892	1.1
268.06824	1.0
312.05896	0.9
329.26248	0.6
335.22275	21.9
336.22504	1.6
342.00449	0.6
395.79529	0.6
420.27603	5.0
446.25720	3.8
464.26553	100.0
465.08685	0.7
465.21671	1.8
465.27167	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	465.1035
Annotation	6-C-Glucopyranosyldihydroquercetin
Peak:m/z	Relative Intensity
53.23008	0.4
59.01369	1.5
61.98823	0.8
63.10918	0.4
66.23174	0.4
67.01880	0.7
69.03466	0.6
69.50276	2.9
71.01375	4.0
73.02948	1.1
81.03456	1.8
83.01382	0.9
85.02944	2.5
91.01902	1.2
93.03477	1.0
95.01390	2.2
101.02441	2.0
105.39333	0.4
107.01386	2.6
108.02170	64.1
109.02959	33.2
110.03266	0.8
111.00889	1.0
113.02451	1.7
121.02988	0.6
123.00894	3.2
123.04517	5.7
124.01669	1.1
125.02428	1.2
135.00894	1.6
144.81651	0.5
151.00345	2.5
151.04019	0.9
152.01144	68.5
153.01935	32.0
154.02318	0.8
163.04010	0.9
165.01984	0.7
166.02708	1.0
167.03482	12.3
178.99931	0.6
192.41843	0.5
195.02930	0.5
207.02870	0.5
250.30939	0.4
271.02457	0.5
281.06622	0.8
296.05368	1.1
297.06146	7.0
302.03903	0.6
311.07690	4.1
315.07217	4.5
378.23969	0.5
421.11365	3.5
433.07703	3.8
465.10324	100.0
466.10706	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1398
Annotation	Saccharumoside B
Peak:m/z	Relative Intensity
55.01869	0.6
59.01379	8.1
61.98825	0.9
64.08351	0.5
67.01878	0.7
69.35112	3.0
71.01379	6.6
73.02968	1.1
81.03477	0.6
83.01402	0.9
85.02946	2.4
89.02450	0.9
91.01887	0.9
93.03472	1.0
95.01396	1.1
95.05026	0.9
96.99320	0.6
98.20638	0.6
99.00887	0.6
101.02422	4.0
107.01407	1.8
108.02192	3.4
109.02928	0.5
111.00874	0.7
113.02454	1.6
122.03769	1.2
123.00887	1.3
123.04519	100.0
124.01650	0.6
124.04828	2.1
125.02473	1.1
130.99788	0.5
151.00348	3.5
152.01131	6.2
153.01982	1.2
153.05571	78.8
154.05960	2.4
161.04544	0.5
166.02730	1.8
167.03490	29.2
168.03735	0.5
181.05066	0.7
209.11862	1.8
210.12189	0.8
211.12495	0.8
212.57085	0.5
221.04488	0.5
242.48482	0.5
296.05219	3.7
297.06070	0.5
311.07706	88.3
312.08026	5.4
421.20642	5.4
422.21066	0.6
465.14584	3.5
489.68231	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01369	1.0
61.98803	0.7
62.96411	0.3
71.01364	0.4
71.52051	0.4
78.95902	55.0
96.96951	6.0
97.68802	0.3
99.04510	1.3
101.02419	0.5
102.05581	0.3
106.41337	0.2
114.33516	0.2
117.63948	0.3
128.03563	0.3
133.02879	0.3
135.04572	0.3
150.98015	1.7
152.99579	100.0
153.99921	1.1
161.02420	0.8
170.38470	0.3
171.00627	4.6
217.85713	0.3
239.91100	0.3
281.48111	0.3
289.82336	0.2
382.79434	0.3
443.61899	0.3
465.22543	23.1
466.22830	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	465.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
60.02722	0.2
61.98816	0.6
62.25264	0.2
71.52505	0.2
78.95901	51.2
83.87724	0.2
86.79518	0.2
88.37522	0.2
91.34998	0.2
94.58962	0.2
96.96957	6.2
102.05616	0.4
105.35199	0.2
133.42427	0.2
146.04619	0.3
147.77118	0.2
150.98013	1.8
152.99580	100.0
153.99904	1.1
161.02460	0.5
168.11784	0.2
171.00633	4.1
171.55754	0.2
267.00446	0.2
311.22482	0.2
321.12183	0.2
334.52438	0.2
371.96536	0.2
458.16159	0.2
465.22519	21.4
465.31705	1.0
466.22531	1.5
477.48050	0.2
484.46066	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	5.1
59.01378	100.0
60.01708	1.2
60.11103	1.1
61.98827	15.8
71.01009	1.5
71.01380	20.1
71.17741	1.6
73.02957	1.7
78.95467	1.0
85.02947	4.7
87.00906	1.1
89.02441	29.9
95.01365	1.1
98.95573	1.5
99.04534	1.4
99.92567	4.0
101.02435	12.0
113.02460	10.8
115.92088	2.4
116.92856	28.0
119.03513	15.3
125.02428	1.4
131.03502	1.0
135.04509	2.0
137.89484	1.0
139.07626	1.4
143.03485	3.2
149.09709	18.6
150.75986	1.1
153.09198	6.8
161.04556	7.4
167.10770	31.1
168.11092	1.3
179.05624	13.1
207.13754	1.2
225.15007	6.5
226.96429	2.5
243.15974	3.9
268.33804	1.1
303.05307	1.3
405.21289	33.7
406.21365	2.0
465.07019	6.6
465.13541	1.2
465.22769	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	465.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63776	0.9
55.01876	1.6
57.03447	3.3
58.00589	2.6
59.01378	92.6
60.01712	1.8
61.98827	68.7
62.06788	0.9
63.99232	1.1
71.01379	47.8
71.51318	1.4
72.99296	3.0
73.02939	6.9
73.40020	0.9
75.00876	1.2
83.01395	3.3
85.02948	13.8
87.00874	4.0
89.02443	48.7
95.01402	3.7
96.96004	3.1
99.00890	3.2
99.04513	2.8
101.02440	30.6
101.84485	1.0
102.36382	0.9
113.01716	1.9
113.02449	21.4
116.92862	3.9
119.03500	20.6
123.04509	4.6
124.04809	1.9
125.02504	1.5
131.03502	2.2
133.03001	1.0
135.04555	2.6
143.03493	4.1
149.04538	1.5
153.05563	7.8
154.05908	5.1
159.02974	2.4
161.04570	16.5
162.04909	0.9
173.04472	1.2
179.05611	13.3
191.05510	1.2
208.20023	1.1
243.15919	2.1
303.14465	1.5
320.21036	1.1
337.83450	1.1
358.12296	1.9
364.42780	0.9
383.17221	1.0
405.21262	100.0
406.21613	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	465.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
57.03449	0.5
58.00579	1.2
59.01380	19.4
61.98828	2.8
63.43313	0.3
69.43649	0.5
69.44060	2.0
71.01382	12.0
71.05018	3.7
72.99306	1.6
73.02940	1.9
75.00875	0.3
75.70994	0.3
75.96416	0.3
75.99958	0.3
78.95904	7.8
83.01401	0.9
83.05040	0.8
85.02956	2.6
87.00888	0.9
89.02438	10.0
93.03458	0.4
95.01396	0.9
96.96963	1.0
98.19930	0.6
99.04499	0.7
101.02441	7.4
101.06064	2.7
102.05611	1.0
113.02455	3.7
116.92834	0.3
119.03489	2.9
123.04555	0.4
125.09675	0.5
128.03543	0.6
131.36053	0.3
135.04565	0.6
138.46321	0.3
140.05466	0.3
152.99583	13.6
155.14415	6.6
161.02481	1.0
171.00581	0.6
173.04558	0.4
179.03564	0.5
185.15448	4.6
199.17026	2.1
205.19713	0.3
209.19084	1.7
211.75797	0.4
223.20667	0.7
239.20247	0.6
257.21152	3.8
285.20694	10.5
286.21066	0.5
287.22165	0.7
303.21756	25.6
304.21973	1.7
345.22769	0.4
463.04346	0.3
465.27060	100.0
466.27472	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	466.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.6
59.01379	1.2
61.98828	100.0
64.72099	0.3
71.01375	0.5
71.51978	0.4
74.61831	0.2
78.91898	1.5
80.91674	2.5
85.02969	0.3
85.35541	0.2
88.98814	0.2
93.03479	0.7
99.04540	0.5
101.02422	0.4
125.02489	0.3
135.04504	0.4
140.07182	0.4
142.24541	0.2
155.03510	0.4
158.45557	0.2
165.51317	0.2
166.90657	0.2
173.04541	2.2
187.07651	0.7
187.35780	0.2
191.05643	1.0
205.08635	0.4
231.10284	0.5
249.11305	0.6
262.10834	0.6
275.09259	1.4
293.10342	0.5
307.07806	0.3
309.09222	0.3
403.64407	0.3
449.14841	0.5
467.15540	0.4
467.21359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44409	0.2
57.03434	0.6
59.01375	1.3
60.01709	0.2
61.98828	100.0
71.01392	0.6
72.99284	0.2
78.91888	1.6
80.91676	2.3
83.05048	0.2
85.02942	0.5
89.02416	0.3
93.03445	0.5
93.61478	0.2
99.04539	0.5
101.02524	0.3
111.04546	0.3
121.02872	0.3
125.02453	0.3
140.07217	0.7
173.04523	1.6
187.07724	0.6
191.05655	0.4
231.10309	0.6
241.14566	0.3
262.10849	0.5
275.09329	1.1
293.10358	0.5
341.79324	0.3
467.21762	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92529	0.3
55.89064	0.2
59.01371	2.4
60.01718	0.5
61.98827	100.0
63.99253	0.3
71.01385	0.5
71.51630	0.4
79.98514	0.2
86.93239	0.2
87.00851	0.2
89.02433	0.6
95.22778	0.3
96.96010	1.0
101.02465	0.3
123.04501	2.2
124.04816	0.5
125.02489	0.4
135.04561	0.4
135.10895	0.3
138.01917	0.3
143.07086	0.3
148.08511	0.3
153.01927	0.3
153.05565	3.2
154.05928	0.8
155.06059	1.1
173.04584	0.5
192.99986	0.3
305.16101	0.8
331.82504	0.3
359.12607	0.4
406.21725	0.5
418.01971	0.3
466.09058	0.4
467.16037	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03162	2.3
57.03447	43.1
59.01110	2.7
59.01378	26.1
61.98809	5.8
67.01876	2.2
69.32652	3.3
69.33060	9.7
71.01379	7.4
72.99311	1.4
87.00835	2.1
89.02449	3.7
93.03459	8.8
96.29704	1.3
98.19867	2.8
98.20549	4.2
99.04519	20.4
101.02444	13.0
109.02926	4.7
111.04565	1.9
125.02443	8.7
134.03749	9.1
135.04475	2.4
136.01631	5.5
137.02441	2.8
145.07698	4.9
151.04004	2.5
155.03519	1.7
160.06403	10.8
161.04530	11.0
161.07199	39.1
162.07556	1.6
165.06752	1.2
171.10266	16.4
173.04546	37.7
173.06029	2.6
175.07379	2.4
175.08775	29.2
178.02774	1.3
185.10870	1.9
187.08786	5.4
189.06700	76.4
190.06987	2.4
191.05478	1.7
195.03004	1.5
198.68861	1.3
201.10291	4.1
203.08286	33.4
203.11983	7.2
204.08521	2.5
207.11928	1.5
229.09810	17.2
231.10211	2.7
243.12286	4.5
253.09183	1.9
271.49948	1.5
275.09167	4.5
277.11996	3.2
293.10278	8.5
305.11417	66.6
306.11536	3.3
323.12463	100.0
324.12726	5.1
365.13458	12.6
379.12402	3.2
405.16821	3.8
449.14252	2.4
467.16281	8.5
479.41537	1.7
491.60886	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	467.169
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	18.6
57.13758	0.9
59.01378	24.5
61.98832	5.7
64.74187	0.9
67.01887	4.6
69.03456	1.1
71.01380	10.1
72.99295	2.4
78.95883	1.0
83.01380	1.4
83.05042	1.2
87.00858	3.2
89.02440	3.8
93.03462	24.8
98.02414	1.1
99.04516	13.7
101.02452	5.9
109.02969	2.3
111.04528	5.1
112.48009	0.9
122.27002	1.1
123.04498	1.3
125.02441	9.0
126.16970	1.1
134.03731	4.6
135.04510	2.9
136.01649	5.0
137.02449	5.9
145.07695	3.1
152.01196	1.5
152.99521	1.3
155.03464	4.0
159.04482	2.4
160.06410	7.5
161.02426	4.1
161.04558	5.1
161.07196	26.2
169.12279	3.3
171.10303	10.5
173.04546	100.0
173.10732	1.4
174.04974	2.0
175.08777	16.1
181.05075	1.8
185.10745	1.3
187.07426	5.0
187.08958	2.0
189.06693	46.3
190.07080	1.7
191.05634	8.1
201.05550	1.5
201.10265	3.6
202.06268	1.9
203.08286	16.9
203.12044	4.9
205.08722	1.2
213.09212	1.0
229.09843	10.1
231.10263	7.4
231.12332	1.9
275.09210	17.4
277.11835	2.1
293.10291	8.3
305.11435	25.9
306.11600	1.8
323.12457	67.2
324.12747	3.2
365.13370	3.9
365.17499	1.0
366.04773	1.2
388.51031	1.0
407.23001	1.3
449.14624	7.6
467.15314	4.7
467.21255	13.0
468.21304	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	468.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	13.6
59.01380	15.1
59.93396	0.5
61.98831	100.0
62.82302	0.4
67.01917	0.6
71.01389	2.7
71.21896	0.8
73.02943	1.7
85.02971	0.9
87.00871	0.5
93.03448	4.1
94.03819	1.8
99.04518	14.9
101.02449	6.3
108.02202	0.7
109.02981	1.1
110.03284	0.8
111.04537	0.8
112.04903	0.6
113.02453	0.9
125.02431	5.2
134.03738	3.3
135.04402	0.9
137.02499	1.2
143.03516	1.3
151.04045	1.2
152.01172	0.7
155.03546	0.9
161.04558	0.8
171.10292	1.7
172.10655	1.2
173.04547	13.6
173.06070	0.7
174.04872	6.8
177.01869	0.6
178.02684	0.7
179.03294	0.7
191.05620	1.3
232.10901	0.6
243.12497	0.6
245.07289	0.5
261.13388	5.6
265.25919	0.5
276.09589	0.6
282.82730	0.5
293.10413	1.5
294.10754	2.4
302.28296	0.5
303.14523	3.1
307.15631	0.7
311.05624	0.6
343.17731	1.0
346.16190	0.5
349.16656	0.8
405.17676	14.4
405.24799	1.5
405.71921	0.6
406.18146	1.4
468.16208	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	468.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.7
59.01373	2.5
61.19554	0.4
61.98828	100.0
64.95241	0.7
69.56860	2.0
71.01388	1.6
74.00710	0.5
78.95881	0.4
87.00868	0.4
91.43871	0.4
96.96023	1.6
96.96989	0.4
99.04536	0.9
101.02435	0.8
113.02448	0.5
128.01776	1.0
130.19017	0.4
135.04523	0.4
143.07153	0.4
146.02873	0.5
146.08237	1.5
167.03487	0.5
173.04666	0.8
191.05579	0.7
195.06744	0.6
218.29425	0.4
265.46368	0.5
275.10831	0.8
287.15201	0.5
288.15335	0.7
305.16092	0.8
306.16476	2.0
309.09430	0.9
354.50888	0.4
356.13373	0.4
468.15250	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.7
61.98824	1.2
65.22427	0.5
72.99306	0.7
76.55725	0.5
78.95885	0.5
101.03207	0.5
107.05003	0.5
113.26340	0.5
121.03024	0.5
133.02956	2.3
134.03741	16.5
135.04520	100.0
136.04848	2.0
137.02396	2.8
139.04021	1.3
141.00082	0.6
152.99632	0.5
177.01961	0.7
178.02739	6.6
179.03491	60.4
180.03822	1.5
183.89923	0.5
265.61285	0.5
269.07095	0.8
289.18170	2.2
291.19684	1.3
309.10260	0.7
425.23260	2.4
444.56012	0.5
469.22351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2571
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
64.74061	0.9
71.15112	1.2
71.15430	0.9
76.29928	0.8
78.95904	16.5
120.96945	3.5
133.03856	0.9
134.98503	1.0
137.00124	1.2
138.98045	5.2
139.42876	0.9
152.99580	8.0
157.01488	0.9
195.00659	11.0
213.01717	0.8
255.23271	100.0
256.23590	5.0
277.21680	2.9
371.35571	0.9
391.22757	1.1
428.79095	1.1
451.24637	57.8
452.25064	4.5
459.78116	0.9
469.25723	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	470.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	31.0
59.01379	35.0
61.98829	100.0
69.46239	5.8
71.01382	7.0
72.56784	1.0
73.02937	2.3
83.01382	1.9
85.02943	3.9
87.68215	1.0
89.02411	1.2
92.59030	1.1
93.76583	1.1
96.96004	3.7
99.04518	43.2
101.02429	13.4
101.06092	1.7
113.02437	3.3
116.92863	15.7
123.04545	1.4
125.02447	14.5
128.03592	1.3
140.38818	1.0
143.03535	2.5
158.38892	1.1
159.02979	1.4
161.04529	3.9
173.04546	1.2
195.06689	1.4
196.07060	1.2
223.06042	1.4
263.11273	3.5
305.12363	9.6
345.15567	2.6
363.16611	1.6
391.01337	1.2
407.15567	28.7
408.15802	3.3
434.83804	1.1
471.15460	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	470.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46080	0.6
55.63602	0.7
57.03448	17.9
58.24572	0.7
58.26196	0.6
59.01380	21.4
61.98829	100.0
71.01364	3.1
73.02941	1.9
83.01411	1.1
85.02984	1.2
89.02458	1.1
96.96020	3.3
99.04517	18.1
101.02441	8.8
108.02209	0.6
113.02438	1.7
121.90159	0.7
123.04491	0.7
125.02438	6.3
135.04501	1.5
143.03418	1.3
161.02455	1.5
161.04642	0.7
173.04626	0.9
179.03552	1.3
179.10800	1.0
263.14960	7.3
305.16034	3.8
345.19293	1.5
363.61166	0.7
369.00528	0.7
407.19208	12.4
408.19565	1.2
471.22385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98823	0.8
69.57341	1.2
71.01381	0.6
73.02934	1.3
74.08470	0.2
74.09595	0.2
78.95909	0.2
80.96531	0.3
81.03464	0.5
81.12324	0.2
83.05042	0.4
83.75723	0.2
85.02950	0.3
88.98811	0.3
93.03455	3.9
95.05035	0.6
96.96011	1.2
96.96996	0.3
98.19990	0.4
99.00872	0.5
99.04533	0.4
99.92548	0.3
101.02440	0.3
109.02982	0.3
111.04498	2.0
116.92858	3.0
121.02957	0.7
122.03751	0.6
123.04518	63.9
124.04839	1.5
125.02441	0.2
127.87557	0.2
129.01944	0.2
135.04529	0.6
137.02466	1.1
143.03508	0.3
151.03990	0.4
153.05566	100.0
154.05908	2.6
155.03494	0.8
161.04440	0.2
173.04533	5.6
179.03467	0.4
189.01918	0.3
195.06602	0.4
199.97459	0.2
229.49147	0.2
297.09726	2.7
315.10825	3.1
471.15128	5.1
471.25684	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54230	0.5
57.62839	0.4
59.01367	2.4
61.01824	0.5
61.98829	4.2
63.96201	0.6
70.36916	0.9
70.37280	0.9
71.01384	6.1
72.99291	0.4
73.02946	2.0
78.98579	4.7
79.95728	7.1
80.96515	52.6
81.03458	0.8
83.01363	0.5
85.02940	1.7
86.25094	0.4
87.00886	2.1
94.98080	11.6
96.95985	1.0
97.02950	1.9
99.00889	0.7
101.02438	2.2
104.48510	0.4
106.98095	2.4
109.02930	0.6
113.02417	0.4
122.97579	4.9
125.02461	3.3
125.06153	0.5
127.04005	0.8
134.97591	3.4
135.04491	0.6
136.99138	0.9
148.99136	4.7
152.98605	6.3
164.98625	10.1
169.05188	0.5
171.10280	5.0
175.64206	0.4
179.03322	0.5
182.99699	2.1
193.05019	0.5
206.99670	2.7
218.94063	0.4
225.00726	17.4
226.01132	0.7
243.01741	1.9
299.04343	3.5
471.15363	100.0
472.15628	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	96.6
61.98821	11.7
69.78606	16.5
71.01372	24.4
72.99285	3.8
73.02941	14.3
78.98565	3.5
79.95730	8.8
80.96511	44.3
83.01382	5.9
85.02953	9.8
87.00845	4.1
89.02441	7.9
94.98043	8.3
95.01453	3.1
97.02937	3.8
101.02472	15.5
106.97980	3.7
113.02431	12.7
125.02460	3.2
138.06862	8.0
148.99136	4.4
151.07631	7.4
152.08437	19.7
152.98506	3.9
153.09213	40.2
164.98547	7.9
171.87817	3.0
205.12331	13.5
206.99521	3.2
207.10622	3.2
209.11707	3.8
214.99182	3.2
223.13416	7.2
225.00838	16.5
257.90622	2.9
299.04404	3.1
311.04559	3.6
367.17551	32.3
385.18436	5.3
427.19580	5.3
471.15427	100.0
472.15616	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04456	2.3
52.70812	2.2
57.03427	5.2
57.20710	2.2
59.01379	87.5
61.98830	14.1
70.23121	2.1
71.01382	26.7
73.02947	24.0
78.95900	10.0
78.98602	2.6
79.95735	3.1
80.56075	2.1
80.96511	33.7
83.01369	6.1
83.05025	2.2
85.02950	7.7
87.00848	2.6
88.98813	6.1
89.02435	9.0
89.80966	2.2
94.98062	5.4
95.01384	3.5
97.02949	5.1
99.04503	4.6
101.02449	18.0
105.85354	2.2
108.02150	4.5
109.02949	3.4
113.02444	9.0
123.04527	3.4
125.02454	4.6
134.03729	10.5
138.06886	12.7
139.07616	4.9
146.08215	9.2
148.99072	2.8
149.06104	5.4
151.07712	11.9
152.01086	3.9
152.08421	23.5
152.99608	11.1
153.01982	2.4
153.09207	75.8
161.04503	5.8
163.11320	3.0
164.98631	8.3
165.05547	3.3
178.02708	2.6
192.37904	2.8
193.05049	13.3
199.13374	4.7
205.12305	28.0
207.10225	8.1
223.13394	15.2
225.00705	8.1
225.11293	11.3
243.12332	8.2
277.12289	12.6
327.10764	4.6
367.17563	11.3
369.12112	3.7
385.18790	3.4
427.19858	5.2
471.15613	100.0
472.15625	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	471.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.2
59.01378	100.0
64.86161	2.0
69.17020	11.1
69.17451	9.2
71.01380	35.7
72.99329	2.6
73.02949	48.9
81.03428	2.3
83.01394	16.1
85.02958	6.1
89.02431	14.3
99.04523	2.9
101.02448	44.9
109.02963	2.2
113.02451	15.4
119.03477	7.0
125.02451	5.3
135.04472	4.0
143.03496	3.5
149.04536	4.7
153.09193	7.5
161.02435	5.3
161.04559	16.9
165.09160	2.0
169.87579	2.0
187.11232	3.2
205.12273	10.1
223.13477	2.3
230.24783	2.1
249.32538	2.2
259.86044	2.4
300.02856	3.4
367.17630	10.6
383.16373	2.1
383.52203	2.2
385.18649	9.5
416.24548	2.1
427.19644	8.7
471.28369	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	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76946	1.0
53.12356	0.9
53.37584	1.0
55.01878	1.2
57.03452	1.2
59.01378	100.0
60.01699	1.3
61.98821	4.1
65.46320	0.8
69.18899	7.7
69.19308	1.7
71.01381	33.1
72.99303	2.3
73.02944	50.2
81.03459	1.7
83.01385	15.0
85.02962	2.1
87.00900	1.3
88.04049	1.6
89.02445	7.2
93.03498	1.7
95.01399	1.3
96.96020	4.6
97.02974	0.9
98.19935	1.8
99.00885	1.1
99.29464	0.9
101.02444	46.3
106.22100	1.0
108.60125	1.0
111.14588	1.0
113.02432	9.3
118.98073	1.6
119.03490	3.9
125.02480	2.2
131.03510	2.4
133.02887	1.0
135.04533	4.1
137.02443	5.4
143.03542	2.5
145.02942	1.9
149.04549	4.1
161.02452	4.4
161.04558	9.7
171.10269	3.7
171.50691	1.0
179.03549	2.1
182.26251	1.0
205.12308	4.1
221.06708	1.0
241.05051	2.1
246.00307	1.5
267.06625	2.7
311.05679	1.6
385.18665	4.1
411.24173	1.2
413.49152	1.2
427.14221	2.1
427.19623	22.5
428.19925	1.4
471.22293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
59.01378	100.0
61.98840	1.9
63.51504	0.6
68.99574	4.1
69.70222	1.4
69.70618	1.3
71.01382	6.0
72.99323	1.0
73.02943	6.6
77.71597	0.6
83.01388	2.2
85.02958	0.8
89.02463	2.5
89.22740	0.6
93.03465	0.7
96.96006	4.4
101.02439	8.6
111.23882	0.6
112.98584	4.8
113.02457	3.7
119.03515	1.3
123.04525	1.3
131.03545	1.3
133.03018	0.9
135.04510	1.4
137.09740	1.2
149.04564	0.9
153.05609	0.7
161.02480	1.8
161.04526	3.2
179.03484	0.9
179.10870	1.5
221.06596	0.7
223.09666	0.8
311.06046	0.6
407.78311	0.6
487.95697	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84868	0.6
55.67020	0.6
59.01376	2.4
60.37570	0.6
61.98829	27.6
69.54888	2.0
69.55296	1.7
71.01392	1.5
85.02940	0.9
98.19936	1.1
101.02487	0.7
109.06601	1.7
123.04584	0.7
132.02185	1.1
133.02959	22.4
141.45842	0.7
150.03194	0.9
155.14116	0.7
161.02440	100.0
162.02855	2.7
174.03209	0.9
178.86182	0.6
190.02792	1.3
196.63788	0.6
201.09163	1.5
203.07120	0.7
207.10274	1.3
208.10387	0.6
209.11812	0.9
218.09369	1.9
225.11247	0.7
227.12904	0.8
229.08688	0.9
237.70384	0.7
247.09746	6.0
307.16602	0.6
311.22189	3.3
365.13925	1.7
409.12872	12.8
410.13229	0.9
460.97549	0.7
472.15536	1.7
473.27615	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	472.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25953	0.4
59.01384	0.8
61.98829	51.1
71.52332	1.0
78.95905	4.5
87.80045	0.5
113.80045	0.5
113.80964	0.5
117.00576	0.5
133.02963	21.6
135.04480	1.1
149.02429	4.8
150.03217	8.6
151.16920	0.5
152.99590	0.8
155.12694	0.4
161.02437	100.0
162.02794	2.6
162.83846	0.8
171.00519	0.5
247.09694	1.3
268.07361	0.7
312.06384	0.9
409.12933	16.3
410.13580	1.3
472.24689	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	472.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.2
61.14988	0.2
61.98827	18.4
66.95673	0.2
69.21341	2.4
71.01363	0.6
96.96009	0.4
101.02386	0.5
109.02941	0.4
109.06596	0.3
121.02995	0.3
125.09743	0.3
132.02141	1.1
133.02951	21.3
134.03270	0.6
135.04532	0.8
146.03740	0.6
149.02484	1.5
149.06021	0.3
150.03221	4.2
159.04495	0.9
161.02431	100.0
162.02759	3.2
165.36542	0.2
171.10245	0.4
173.06148	0.3
174.03201	2.4
175.04041	0.6
175.07622	1.0
177.05513	0.3
177.52187	0.2
179.03438	0.3
187.07639	0.6
190.06445	0.3
199.09756	0.3
200.04817	1.2
203.03494	0.7
203.07137	5.7
205.08704	1.9
207.10306	0.4
209.11864	0.6
211.07684	0.5
215.07106	0.5
218.05820	0.5
225.11250	0.5
229.08664	2.1
247.09741	6.3
248.10150	0.3
267.06604	0.3
277.62686	0.3
297.35947	0.2
309.20731	1.3
310.21054	0.7
312.06293	0.3
321.11404	1.3
365.13846	2.4
409.12900	11.5
410.13318	0.7
428.66110	0.3
471.25394	1.2
472.15744	0.6
472.25739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1585
Annotation	Raloxifene
Peak:m/z	Relative Intensity
59.01357	1.7
60.01121	1.0
61.98824	1.4
62.54942	0.9
62.63358	0.8
67.03009	3.3
67.25782	0.9
68.02535	1.9
71.01375	1.3
71.19426	1.3
71.19787	1.1
79.10169	0.9
83.02506	1.5
83.13439	0.9
85.02914	1.3
88.98828	0.9
92.05063	14.5
94.04142	0.9
94.53644	0.9
96.96026	1.0
102.05579	5.0
106.04114	3.9
108.02141	1.7
109.04075	3.2
111.03126	1.9
120.04514	1.8
124.05249	1.0
126.06727	5.9
127.07068	1.0
128.03543	34.0
135.05644	7.0
136.04063	6.1
142.04300	1.0
146.04578	6.5
147.05667	5.0
148.04045	13.7
149.04642	1.7
150.48811	0.9
150.49998	0.9
151.06224	2.0
152.01044	1.4
153.01613	0.9
154.02385	1.0
157.07677	1.5
163.06262	8.7
177.10321	6.4
187.08743	1.4
189.10353	6.1
189.40482	0.8
203.08273	1.8
214.09871	1.7
215.08255	1.8
221.09299	11.3
233.09293	20.2
256.12088	2.1
258.08859	1.3
260.88055	1.1
275.11469	8.0
277.08408	1.5
300.11014	37.8
301.11414	1.0
343.11359	11.0
360.16888	3.3
385.16269	14.8
404.15732	39.5
405.15768	2.6
411.14209	4.1
429.15176	12.6
454.14798	5.5
472.15912	100.0
473.16251	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	472.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00617	1.0
59.01379	39.2
69.91060	3.0
71.01381	28.6
71.01778	1.5
72.99305	1.1
85.02964	4.1
87.00864	2.3
88.04047	1.1
88.98775	0.8
89.02444	45.8
95.01382	2.2
98.19978	1.0
98.85982	0.7
101.02448	15.3
108.67292	0.7
113.02452	13.1
119.03497	15.3
123.11248	0.8
130.05086	2.0
130.08736	45.1
131.03487	3.5
131.09035	1.1
143.03499	3.6
149.04590	1.4
161.04549	3.6
173.91049	0.8
179.05597	20.0
222.90213	0.8
260.10336	0.7
341.10867	100.0
342.11340	4.3
377.89767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67912	1.2
57.03446	85.0
59.01377	100.0
71.01378	31.7
71.47194	1.2
72.99294	1.8
73.02951	12.7
80.96521	3.1
81.03459	2.4
82.96089	2.9
83.01389	4.3
84.86359	1.4
85.02945	8.4
87.00867	2.4
89.02441	21.1
95.01382	3.1
99.04513	58.4
101.02438	37.9
108.02161	1.8
109.80252	1.3
113.02448	16.9
113.06029	1.8
119.03480	8.4
123.04530	3.7
125.02443	30.5
128.03569	2.0
134.03737	11.0
143.03511	3.0
149.04826	2.1
149.06056	17.0
152.01167	1.7
153.01886	1.5
161.04578	7.6
167.07018	1.4
179.05659	2.8
189.12830	3.5
207.13954	3.5
207.69806	1.4
227.00540	1.6
236.80176	1.5
251.12909	2.2
261.36469	1.4
299.63852	1.3
311.11340	34.8
312.11670	2.4
329.12363	20.8
371.13443	8.1
438.18216	1.9
473.15927	16.1
473.57626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67912	1.2
57.03446	85.0
59.01377	100.0
71.01378	31.7
71.47194	1.2
72.99294	1.8
73.02951	12.7
80.96521	3.1
81.03459	2.4
82.96089	2.9
83.01389	4.3
84.86359	1.4
85.02945	8.4
87.00867	2.4
89.02441	21.1
95.01382	3.1
99.04513	58.4
101.02438	37.9
108.02161	1.8
109.80252	1.3
113.02448	16.9
113.06029	1.8
119.03480	8.4
123.04530	3.7
125.02443	30.5
128.03569	2.0
134.03737	11.0
143.03511	3.0
149.04826	2.1
149.06056	17.0
152.01167	1.7
153.01886	1.5
161.04578	7.6
167.07018	1.4
179.05659	2.8
189.12830	3.5
207.13954	3.5
207.69806	1.4
227.00540	1.6
236.80176	1.5
251.12909	2.2
261.36469	1.4
299.63852	1.3
311.11340	34.8
312.11670	2.4
329.12363	20.8
371.13443	8.1
438.18216	1.9
473.15927	16.1
473.57626	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26332	0.5
57.03448	92.1
58.03810	0.9
59.01379	24.5
59.98524	0.8
69.03468	0.7
69.44344	3.9
71.01382	11.4
72.99309	1.5
73.02943	18.1
75.00883	0.8
79.05520	2.4
81.03461	3.3
83.01386	4.9
83.05037	1.2
85.02950	2.0
89.02442	2.8
95.05049	1.9
97.02977	0.6
97.06584	1.5
98.20666	1.1
99.04517	58.2
100.04851	0.9
101.02441	27.8
104.24325	0.5
108.02129	0.6
109.02998	0.6
109.06564	0.8
113.02448	6.2
113.06081	2.7
114.03870	0.6
119.03489	1.2
121.03017	0.5
122.03724	0.7
123.04520	12.7
125.02442	32.8
126.02764	0.9
133.02934	2.8
134.03859	0.6
134.06665	0.5
135.04501	1.2
137.02475	0.6
141.05563	2.4
143.03505	4.6
149.04550	0.7
149.09720	1.2
151.04024	2.3
153.05586	0.8
155.03493	0.8
161.02446	10.1
161.04529	7.9
163.11240	0.6
167.10764	100.0
168.11133	3.6
168.12302	0.7
171.10316	0.8
178.02731	0.5
179.03494	0.8
179.05589	3.2
181.12288	1.5
191.10786	4.4
196.04344	0.5
198.43874	0.6
203.05548	2.6
209.11809	5.8
221.11771	0.8
244.09485	0.5
263.07727	3.4
278.78326	0.5
293.10391	0.7
305.08649	2.7
311.11304	1.0
323.09808	10.8
329.15930	0.9
455.13043	1.0
473.20245	2.4
473.27090	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10594	1.3
57.03433	1.9
59.01377	100.0
61.98825	3.2
70.26474	4.3
71.01378	9.4
71.01730	1.4
73.02937	6.6
78.95889	1.8
83.01385	2.1
85.02943	3.9
89.02438	5.9
91.81509	1.4
95.01388	1.5
96.08601	1.3
96.96033	2.0
99.04519	2.8
100.86967	1.2
101.02438	8.1
104.58534	1.2
113.02442	5.3
119.03474	2.6
123.04534	1.8
123.08147	6.3
128.03560	1.4
131.03453	1.8
135.04553	1.8
137.09706	1.9
147.04465	2.1
159.04590	1.5
161.04539	4.3
163.11269	2.9
176.08293	2.1
187.07512	1.5
189.12854	7.1
207.13901	8.5
209.11795	8.0
225.14952	3.9
262.09543	1.8
269.08310	1.5
299.16626	1.3
339.05042	3.6
369.14859	1.6
387.20065	2.7
405.16293	1.6
429.21155	2.8
455.16977	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97958	1.5
57.03438	4.9
59.01379	100.0
59.96923	1.5
61.98815	2.9
70.08405	4.1
71.01382	22.6
72.99301	8.8
73.02946	9.6
78.95898	1.9
83.01377	4.7
85.02956	8.2
89.02439	9.9
95.01420	1.5
99.04514	4.5
101.02441	17.4
113.02435	11.2
119.03483	4.7
123.04542	2.2
125.02457	2.7
128.03560	2.3
135.04544	7.3
137.02493	2.0
159.04532	1.5
161.04501	4.2
173.06068	1.8
179.05614	2.3
187.07628	10.5
197.04495	1.6
202.06329	2.3
207.13893	2.6
209.11804	2.6
219.10257	2.5
225.14919	5.5
231.10237	6.2
275.09195	3.6
283.46347	1.6
293.10181	7.7
369.19177	22.9
370.19528	1.9
387.20212	33.2
388.20645	2.2
394.76273	1.7
429.21240	19.8
443.13342	5.2
455.17032	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30342	1.0
57.03446	83.5
58.03789	1.1
58.42972	1.1
59.01379	36.7
61.98822	2.0
70.17796	4.0
71.01379	13.8
72.01705	1.0
72.99295	5.2
73.02939	17.7
79.05518	1.8
81.03447	2.8
81.88936	1.1
83.01384	6.7
85.02951	2.4
89.02425	3.2
95.05017	1.5
97.06595	3.0
99.00872	1.5
99.04514	57.8
100.04862	1.4
101.02443	27.9
113.02429	4.1
113.06059	3.4
119.03553	1.3
121.02934	3.2
122.03688	1.3
123.04514	14.7
125.02441	34.1
133.02943	10.8
134.03696	1.3
135.04483	3.8
141.05544	3.3
143.03482	4.0
146.12460	1.1
147.60847	1.3
151.04007	6.5
153.05522	1.8
161.02440	35.6
161.04466	7.4
167.10762	100.0
168.11095	4.9
178.02682	2.9
179.03415	3.0
179.05634	1.4
179.29578	1.0
181.12302	4.2
190.54942	1.0
191.10776	3.0
203.05548	1.7
209.11848	7.2
239.12743	1.1
251.07031	1.6
263.07764	2.7
293.10294	4.5
293.21057	2.1
305.08908	2.8
311.11279	2.8
323.09760	7.0
449.92441	1.1
455.13446	3.3
473.20294	3.0
473.27194	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	26.9
57.54388	0.4
59.01379	9.5
61.98822	1.2
70.46166	0.4
70.73907	0.4
71.01392	2.0
72.88957	0.5
72.99310	1.8
73.02943	1.8
74.99104	2.3
81.03453	0.6
82.95408	0.4
83.01392	0.9
83.05050	0.5
85.02958	0.9
87.00877	1.5
93.03468	0.8
96.95985	0.7
98.20692	0.7
99.00857	0.5
99.04518	18.9
99.92590	0.5
101.02444	6.5
115.57402	0.5
115.92087	0.8
116.92850	0.7
119.03407	0.4
121.02943	2.9
123.04536	1.5
125.02444	13.6
132.02173	0.4
132.80025	0.5
133.02968	4.4
134.03777	1.0
135.04543	3.7
137.02440	0.7
143.03539	0.6
145.03004	0.5
150.03209	0.9
151.00746	0.4
151.04033	2.9
159.04494	0.8
161.02446	14.6
162.02820	0.6
167.10768	100.0
168.11118	4.1
173.04620	0.9
173.89325	0.4
178.02701	1.3
179.03540	2.0
197.04564	0.7
200.21432	0.5
201.11359	0.8
209.11829	1.2
224.15691	0.4
227.12804	0.7
251.07095	1.4
265.05005	0.7
274.67551	0.4
293.10226	2.3
305.08823	1.8
311.11475	0.8
313.07043	0.6
329.16174	0.9
345.19879	0.5
357.06250	0.6
371.17154	0.9
401.08771	1.6
455.13477	1.2
473.21063	5.4
473.28287	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	473.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01709	0.7
61.98830	6.2
69.67107	1.0
69.67506	1.3
78.50703	0.4
92.69065	0.5
133.02966	0.8
150.03233	0.7
159.32877	0.4
161.02443	4.2
161.68372	0.5
162.02762	2.5
182.26465	0.4
215.59825	0.5
395.87808	0.5
410.13513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26924	0.3
59.01369	0.9
71.01268	1.1
78.95898	8.5
84.41020	0.4
85.35948	0.3
102.00423	0.4
113.07496	0.3
120.96961	3.5
137.00098	0.7
138.98012	2.3
152.99580	3.7
153.28775	0.4
184.04439	0.4
195.00624	5.1
213.01685	2.4
259.20676	0.6
275.19608	0.5
277.21695	100.0
278.22034	6.3
355.18015	0.5
428.21884	0.5
473.23065	21.2
474.23315	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	473.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87505	0.2
57.03437	0.3
59.01376	100.0
59.13379	0.2
60.01722	0.7
69.39339	1.9
71.01385	0.5
90.63057	0.2
99.04547	0.3
118.90939	0.2
125.02451	0.2
134.37044	0.2
167.28577	0.2
173.04588	0.3
175.46475	0.2
225.80400	0.3
227.38600	0.3
372.16840	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.5
59.01378	100.0
60.01715	0.5
60.23195	0.2
71.01392	0.7
71.28652	0.3
72.99315	0.4
73.02948	0.5
74.57896	0.2
78.79401	0.2
89.02464	0.3
91.38301	0.2
96.96033	0.4
99.04528	0.4
101.02455	0.6
113.02477	0.6
121.02922	0.2
125.02452	0.3
135.04573	0.5
147.59009	0.3
161.02501	0.7
161.04468	0.3
173.04631	0.3
179.05698	0.3
187.07632	0.2
293.10400	0.4
300.64484	0.2
337.03238	0.2
460.86810	0.2
473.15787	0.3
473.23111	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75122	0.3
53.43706	0.3
54.68102	0.3
57.03447	3.5
58.34937	0.3
59.01377	100.0
59.23739	0.3
59.97175	0.3
60.01708	0.6
61.98838	0.9
64.48875	0.3
71.01390	1.4
71.51515	0.4
73.02936	0.6
85.02965	0.5
99.04523	3.2
101.02460	1.1
113.02482	0.4
125.02438	0.8
128.03540	0.4
135.04530	0.3
143.03517	0.3
161.04601	0.4
173.04706	0.5
202.68159	0.3
237.66180	0.4
329.16238	0.9
442.43997	0.3
473.20178	0.7
474.27316	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88863	0.5
54.81984	0.5
57.03450	0.7
59.01376	100.0
60.01708	0.6
61.98835	1.3
64.91209	0.5
70.47403	1.0
71.01382	2.3
73.02964	0.7
78.13411	0.5
80.99103	0.5
85.02959	1.2
101.02410	2.4
113.02471	1.2
139.86911	0.5
161.04518	0.5
173.04549	0.9
269.14084	0.9
311.14996	0.5
353.19739	1.9
371.20816	3.7
398.01691	0.6
400.67520	0.6
413.22034	2.2
473.23993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39905	0.3
57.03440	0.9
57.99387	0.2
59.01379	100.0
60.01726	0.5
60.90307	0.2
61.98831	1.4
71.00056	0.5
71.01386	1.1
72.99326	0.3
73.02963	0.6
81.03485	0.2
83.01401	0.4
85.02975	0.5
89.02448	0.4
93.03465	0.3
96.96015	0.8
98.95630	0.3
99.04537	0.8
99.92571	1.6
101.02460	1.3
113.02484	0.9
114.70674	0.3
115.92075	0.6
116.92857	4.4
121.03014	0.2
123.04561	0.4
135.04556	0.7
158.93958	0.7
161.04613	0.6
173.04549	0.6
181.07343	0.2
207.13933	0.2
233.67557	0.2
241.24049	0.3
269.13995	0.3
307.06531	0.4
312.44321	0.3
353.19797	1.1
371.20712	1.5
413.21713	1.5
470.59821	0.3
473.07883	0.6
473.22540	0.3
474.27863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76180	0.7
57.03446	1.6
58.00583	1.1
59.01377	24.8
61.98827	13.5
69.64973	5.4
71.01386	14.4
72.68644	0.8
72.99307	1.5
73.02938	1.4
83.01354	1.6
85.02941	4.6
87.00876	0.9
89.02446	11.4
99.92594	1.1
101.02429	9.8
113.02444	3.6
119.03501	3.0
139.11316	1.0
150.03261	1.0
161.02454	2.8
162.02756	1.6
162.83879	1.0
165.49637	0.8
172.05219	1.2
177.68146	0.7
179.52440	0.8
187.09753	1.2
209.11826	1.4
227.12875	1.6
229.12239	3.0
234.67482	1.1
265.21655	2.9
267.84842	0.9
293.21176	1.6
305.71564	0.9
311.22250	28.3
312.22849	1.7
353.23395	1.5
358.18408	0.8
410.15012	1.8
429.26434	3.0
473.27536	100.0
474.27881	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.3
71.00920	1.4
71.01370	8.9
78.95902	10.7
84.34206	0.8
85.02944	1.0
89.01933	1.1
89.02441	12.7
101.02427	1.4
109.54241	0.9
113.02432	2.2
119.03477	0.9
120.77101	0.9
120.96960	3.2
131.03503	0.8
135.04506	0.8
137.00140	1.0
152.99586	2.9
179.05629	2.8
195.00626	4.9
195.13878	2.1
196.28191	0.9
213.01694	1.4
277.21704	100.0
278.22076	6.0
293.21231	25.8
332.60162	0.9
381.37869	0.8
419.53482	0.8
473.23044	18.0
474.24023	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35619	3.2
78.95897	1.3
96.61320	0.4
146.16811	0.4
189.12909	0.9
195.00584	0.6
205.15962	18.7
206.16342	1.2
277.21820	3.5
443.23654	0.5
457.25076	9.4
458.25714	0.8
473.28223	100.0
474.22385	0.9
474.28601	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	474.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.4
61.98827	100.0
71.53024	0.6
89.02371	0.6
117.49191	0.6
135.03021	0.6
161.02405	0.7
209.11795	0.7
229.74521	0.6
251.19804	0.5
293.21130	3.7
474.14392	0.6
475.27539	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77373	0.4
59.01368	0.9
60.43605	0.4
65.78638	0.4
66.66848	0.4
78.95901	21.1
120.32482	0.4
122.00096	1.0
140.01187	6.9
152.99588	1.8
196.03786	11.9
196.37120	0.5
214.04909	2.5
229.34282	0.4
259.20590	0.5
275.20001	0.6
277.21704	100.0
278.22083	5.7
429.47876	0.5
474.26248	37.6
475.26608	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.0
69.20448	2.7
69.20867	1.4
78.95902	32.8
91.87617	0.4
96.96965	2.2
128.46086	0.4
140.01161	2.3
152.99562	5.6
153.88431	0.5
171.00635	4.7
180.81284	0.4
196.03778	1.9
214.04861	3.3
237.19289	0.5
259.20645	0.6
277.21707	100.0
278.22046	6.8
410.09821	0.4
474.26242	28.6
475.26651	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	475.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	1.0
59.01371	9.2
61.98832	3.1
71.01386	0.8
71.52258	0.9
83.05020	0.7
93.03439	0.6
107.05028	1.7
117.03463	2.1
118.98108	4.8
119.05033	1.9
121.02935	0.7
123.65678	0.6
125.02457	0.7
133.02957	0.9
134.03738	2.9
135.04517	84.4
136.04842	2.0
145.02954	7.1
149.02478	1.4
161.02408	4.0
162.02921	0.8
163.04021	1.3
179.03485	100.0
180.03842	3.4
181.05139	1.0
209.11893	3.9
215.07014	0.6
235.10110	0.7
251.07140	10.0
295.06281	0.6
311.05698	0.7
325.07132	2.2
338.13480	0.7
341.23303	1.2
475.28406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.124
Annotation	Abrusin
Peak:m/z	Relative Intensity
52.22119	0.6
53.73079	0.5
55.01869	1.2
57.03444	2.7
59.01378	18.1
61.98823	2.0
62.85726	0.6
67.01875	0.8
68.99789	0.6
71.01382	11.7
71.52379	0.7
72.99302	4.3
73.02942	0.8
75.00867	14.2
78.95889	0.8
83.01382	1.0
83.05005	0.8
84.02180	0.7
85.02953	16.9
87.00883	6.6
89.02425	2.9
95.01384	5.0
96.95979	0.8
99.00881	9.6
103.00379	2.0
111.00880	1.1
113.02448	26.9
115.00372	2.3
116.92863	0.8
117.01968	2.7
121.02956	100.0
122.03289	2.0
129.01913	1.7
133.02979	0.9
135.04492	1.2
137.49399	0.6
137.78665	0.7
156.99384	0.6
157.01463	1.3
159.04610	0.7
161.02434	1.8
175.02507	2.9
175.03838	0.7
179.03470	1.1
209.04526	0.7
209.11794	0.6
213.04092	0.5
231.05156	1.7
235.09613	0.9
255.50771	0.6
262.08493	1.4
263.09311	0.7
279.08734	1.4
294.11047	0.8
313.07465	1.5
313.11157	0.6
335.07700	0.6
345.20993	0.7
353.08755	11.4
384.83987	0.7
415.10193	0.7
425.14410	1.5
457.11383	0.9
457.17188	4.1
475.12433	46.6
475.18173	1.6
476.12793	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	475.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	10.6
59.01377	75.0
60.01716	7.2
61.01808	4.7
61.98825	2.1
63.96241	1.2
67.01896	1.5
69.28902	3.8
71.01378	8.1
72.99323	2.3
73.02947	2.5
76.31071	0.5
81.03469	0.7
83.01389	2.0
85.02962	1.5
87.00906	0.6
88.98824	0.6
89.02427	3.2
91.01897	1.3
93.03462	1.9
95.01386	1.8
96.99305	1.0
97.02959	0.6
97.06588	0.8
99.00879	1.4
99.04512	10.7
101.02450	7.2
102.05602	0.7
107.01398	2.8
108.02156	4.4
109.02982	2.6
111.00871	1.1
112.98824	0.7
113.02460	3.8
119.05022	100.0
120.05351	2.7
121.02976	0.6
123.00872	4.1
123.04527	8.1
125.02451	6.1
128.03510	0.9
129.01956	0.6
134.03740	2.7
135.04478	1.2
135.98366	2.6
136.01738	0.5
137.02452	2.0
143.03534	0.8
147.04480	0.6
149.06068	0.9
151.00357	5.0
151.04005	0.8
152.01132	6.3
153.01935	4.6
154.51466	0.5
161.02428	0.9
161.04535	1.7
162.03168	0.8
163.04004	76.3
164.04373	2.3
166.02721	1.2
167.03481	19.1
168.03845	0.6
173.04597	1.2
177.05589	2.4
178.02667	1.4
179.03574	0.9
179.05656	0.7
181.04936	0.7
193.05009	2.9
197.66841	0.6
209.11786	0.8
243.69000	0.7
250.91534	0.5
251.12582	0.5
281.06726	0.9
293.41132	0.5
296.05325	2.2
297.06122	5.2
299.05954	0.6
311.07703	20.5
312.08069	0.8
331.17563	1.3
337.58124	0.5
415.19516	2.4
475.12405	63.7
475.23187	2.5
476.12729	5.8
476.28149	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54782	0.9
58.58382	0.8
58.89344	0.7
58.93342	0.8
59.01376	2.3
71.01385	13.6
71.07451	1.2
72.99301	4.4
87.00872	0.9
89.02435	3.6
103.00376	2.2
115.00370	39.9
132.94638	2.3
133.01428	100.0
133.05055	1.6
134.01772	1.6
139.36189	0.8
257.55255	0.9
341.10803	2.9
415.03714	1.1
468.10141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.7
71.01377	12.5
71.50217	0.5
72.34039	0.4
72.99304	1.3
87.00876	9.0
87.04503	1.5
89.02433	3.9
101.02462	0.9
103.00368	0.9
113.02428	0.7
115.00352	4.8
119.03517	0.6
132.03003	0.5
132.94652	4.2
133.01436	14.7
133.05064	100.0
134.05406	1.8
179.05614	0.6
184.49893	0.4
204.64615	0.5
296.78210	0.4
341.10867	4.7
377.08511	3.5
415.04337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40463	0.3
59.01373	2.8
61.98800	0.3
62.76229	0.4
71.01377	12.6
72.99296	0.5
73.81105	0.3
85.02941	0.4
87.00871	8.7
87.04517	1.2
89.02435	3.3
92.96034	0.3
100.84555	0.3
101.02451	0.4
103.00381	0.6
113.02454	0.4
115.00378	3.9
115.03930	0.4
119.03497	0.3
132.03030	0.8
132.88670	0.5
132.94653	4.6
133.01442	10.6
133.05064	100.0
134.05429	1.5
145.16475	0.3
191.05608	0.7
192.05936	0.5
298.00330	0.3
341.10916	4.3
377.08496	3.3
415.03925	1.5
415.14618	0.7
493.43378	0.3
503.89487	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.0
59.01379	39.8
66.61066	0.7
69.35423	3.4
69.35845	2.3
69.56765	0.7
70.17697	0.8
71.01376	14.8
72.99310	2.1
73.02947	2.5
73.50267	0.9
85.02946	4.5
87.00886	1.6
88.98798	2.0
89.02438	14.8
93.03483	1.7
95.01417	1.2
96.96017	1.3
99.04521	1.4
101.02441	12.0
109.02944	0.9
113.02444	7.4
115.00463	0.7
119.03540	5.5
121.06590	1.8
122.03749	4.7
123.00838	1.1
123.04580	0.9
124.01659	1.1
133.06499	1.0
135.04529	2.7
137.06068	6.5
139.07675	1.3
144.52138	0.8
149.09712	1.4
161.02400	1.0
161.04555	1.9
165.05518	2.2
169.05063	1.6
173.04536	1.1
173.09709	1.6
179.05647	1.1
191.10757	7.7
192.11230	0.9
209.11771	1.0
253.14413	4.2
412.45511	0.8
415.16068	100.0
416.16415	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17878	0.6
57.03447	1.3
59.01379	40.5
60.99305	13.5
71.01372	2.1
71.50795	0.5
71.51165	0.7
73.02945	1.3
85.02964	0.8
87.00877	6.0
88.00391	1.6
88.98803	100.0
89.02445	11.2
89.99163	0.7
96.96013	1.2
101.02436	1.6
109.80176	0.6
113.02449	0.7
116.49496	0.6
123.03210	0.5
135.04521	0.6
137.02449	0.7
161.04549	1.3
182.61995	0.6
187.73302	0.6
190.10400	0.5
198.47139	0.5
211.13354	1.6
333.38846	0.6
415.19894	0.7
460.19629	0.7
475.17297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01380	100.0
60.01709	0.9
61.98816	0.9
66.59046	0.4
71.01385	3.9
71.50499	0.5
72.99310	0.6
73.02959	1.5
75.00873	0.9
78.95921	0.7
83.01394	0.8
83.05022	0.5
85.02951	0.6
87.00871	4.9
88.00429	0.7
88.98827	1.4
89.02457	1.6
96.95982	2.9
98.95610	1.0
99.04543	0.6
99.92573	0.5
101.02431	2.2
111.49686	0.4
113.02458	1.0
119.03513	0.6
125.02446	1.0
135.04532	1.5
147.06570	0.7
149.04626	0.6
152.07207	1.6
152.99666	0.5
153.05637	0.6
161.02477	0.9
161.04573	1.9
173.04648	0.8
175.04074	0.6
179.03615	0.4
203.05614	0.6
211.13446	1.4
225.05820	0.5
226.05922	0.4
415.19940	1.2
439.76382	0.5
475.18628	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91722	1.3
57.03445	11.3
59.01379	100.0
61.98827	1.5
69.30481	3.5
69.30901	5.6
71.01382	10.7
73.02937	3.1
75.00867	2.3
83.01386	1.8
85.02956	5.3
85.03400	1.0
88.98802	7.1
89.02428	4.5
94.98061	4.4
96.96033	1.4
98.19930	1.7
99.00858	1.4
99.04523	11.7
101.02440	9.0
112.97036	1.1
113.02464	5.4
121.02908	5.4
125.02432	3.0
161.04500	1.7
179.03477	1.3
179.05269	1.0
225.05875	1.5
249.06055	2.2
331.17361	1.5
371.09949	8.7
371.20813	3.0
389.21756	6.1
398.16306	1.2
431.23087	5.3
456.07910	1.5
475.21896	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65512	0.8
57.03447	100.0
58.00582	1.2
58.03762	0.9
59.01378	98.2
60.01699	1.7
61.98806	2.7
67.84411	0.7
69.03448	0.9
69.18137	7.4
71.01023	1.6
71.01382	21.4
72.99310	1.9
73.02621	0.8
73.02946	8.4
77.27235	0.8
80.91702	0.9
81.03445	1.7
83.01384	3.9
85.02946	9.5
87.00847	1.3
88.29654	0.7
89.02437	10.3
93.03434	2.0
95.01309	1.1
98.20769	1.3
99.00873	2.4
99.04516	95.8
100.04810	1.5
101.02440	35.8
102.05594	0.9
107.05009	1.8
113.02432	8.6
119.03471	3.6
123.04485	2.9
125.01540	1.7
125.02442	31.0
128.03516	2.6
131.03500	1.3
135.04465	1.3
137.02422	2.0
140.28531	0.9
142.90604	0.8
143.03494	5.6
159.02908	1.9
161.04562	9.3
171.10204	0.9
173.04541	1.8
175.03989	0.9
179.03452	1.2
188.03534	0.9
213.03896	0.8
222.87219	1.0
280.94193	0.8
313.16403	2.5
331.17606	22.8
332.17868	1.1
337.09299	0.9
346.22833	1.2
373.18628	13.7
390.26895	0.8
413.21814	1.9
475.21759	31.1
475.27472	3.7
476.22162	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50919	0.3
57.03445	1.5
59.01380	100.0
60.01714	1.2
61.98813	1.8
69.20831	3.5
71.01377	3.4
72.99315	1.4
73.02957	1.4
83.01413	0.5
83.05038	0.5
85.02970	1.1
87.00869	0.6
88.04053	0.5
89.02420	2.2
90.92651	0.4
93.03451	0.5
95.01401	0.4
96.96013	1.0
98.95585	0.7
99.04529	1.0
99.92586	6.2
100.93365	0.7
101.02451	2.3
103.00354	0.5
113.02467	1.6
113.75184	0.4
115.92085	9.4
116.92091	0.7
116.92857	4.6
119.03528	0.8
119.05059	0.5
120.99689	0.4
121.02945	0.5
123.04551	2.5
125.02504	0.5
133.02982	0.6
135.04533	3.2
145.02985	0.8
153.05594	3.3
161.02473	1.7
161.04578	0.9
175.04074	0.5
179.03522	0.5
179.59023	0.4
187.07719	1.3
193.69795	0.4
195.13971	1.1
209.11867	0.9
222.06808	0.4
223.07655	2.7
231.10252	0.9
239.03900	0.5
251.07230	1.1
267.06610	0.7
275.09515	0.5
293.10324	1.9
295.06226	1.4
311.05524	0.5
329.23254	0.4
331.17853	1.2
349.00519	0.4
355.21072	2.0
373.22379	3.4
385.13159	1.1
395.15228	0.6
415.23322	6.1
431.23282	0.6
439.18240	1.6
475.20151	8.0
475.26807	1.2
476.20758	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30344	0.7
56.34599	0.7
59.01379	100.0
60.01724	1.2
61.98826	3.3
70.11922	1.4
71.01378	2.5
72.99301	1.3
79.26309	0.9
83.05023	1.3
85.02975	1.1
87.00900	1.2
89.02451	1.6
93.03461	1.5
96.96019	1.0
98.19958	1.0
101.02467	1.1
109.02945	1.7
113.55082	0.7
116.92902	0.9
118.98164	1.3
119.05039	1.7
120.05600	0.8
120.99633	4.0
135.04495	1.9
135.08395	0.7
145.02994	1.0
156.24843	0.7
161.01221	0.7
161.02411	3.6
163.04022	1.2
165.05566	0.7
173.04628	1.1
179.03482	1.4
202.81599	0.8
221.93932	0.7
238.07947	0.7
253.14580	3.0
262.38144	0.7
293.10446	1.0
373.22455	2.7
415.23425	4.0
431.22369	0.9
475.28369	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	476.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46173	0.4
57.03448	25.0
58.03778	0.5
59.01376	24.7
59.55909	0.3
61.98828	100.0
66.44576	0.4
69.17658	3.7
71.01378	4.4
73.02954	1.2
74.24058	0.4
83.01376	1.1
85.02950	2.0
89.02457	0.6
97.79224	0.4
98.19891	0.9
99.00877	0.7
99.04516	28.3
100.04904	0.7
100.47313	0.3
101.02438	9.2
102.02748	0.4
102.91958	0.4
113.02450	1.8
115.09541	0.4
124.79929	0.4
125.02450	10.3
135.04568	0.5
143.03528	1.3
159.03032	0.6
161.04520	3.3
189.25404	0.4
197.11914	0.6
269.10284	5.7
311.11313	4.4
344.78177	0.4
351.14545	1.3
398.77594	0.4
413.14499	13.1
414.14938	1.0
431.38855	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	476.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36852	0.3
64.40919	0.3
70.37975	1.0
78.95901	27.9
96.96953	1.9
107.36710	0.4
112.94997	0.3
135.89264	0.4
140.01190	2.2
152.99583	4.5
171.00638	4.4
196.03777	1.3
214.04875	3.0
261.22382	0.5
279.23267	100.0
280.23602	6.4
378.90182	0.4
402.24158	0.5
476.27768	19.7
477.28296	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	476.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43147	0.3
59.01377	0.4
69.20421	1.8
69.20842	1.2
72.79399	0.3
78.13020	0.3
78.95901	27.2
81.77423	0.3
96.96950	0.4
97.89410	0.3
98.20688	0.6
111.57077	0.3
120.68486	0.3
122.00123	1.1
140.01164	5.7
152.99588	3.7
156.13850	0.4
171.00587	1.0
195.07872	0.3
196.03789	10.2
196.05605	0.6
214.04842	2.2
249.36118	0.3
261.22220	0.7
279.23267	100.0
280.23654	7.4
293.18784	0.3
300.06570	0.3
309.10352	0.3
336.75394	0.3
476.27792	35.4
477.28201	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	477.1035
Annotation	Dracunculifoside B
Peak:m/z	Relative Intensity
55.50390	0.5
57.03440	2.0
59.01380	10.4
61.98814	1.8
65.03974	0.5
69.03441	0.6
71.01389	2.9
71.52094	0.7
72.99300	1.0
73.02959	0.9
80.43707	0.5
81.03445	0.7
85.02959	3.2
87.00848	0.9
88.98843	0.6
89.02425	0.5
89.16519	0.5
93.03458	49.4
94.03786	1.2
95.01402	1.1
99.04521	1.1
101.02444	1.2
108.02171	57.6
109.02957	19.7
113.02445	1.7
116.18060	0.5
117.03490	0.5
118.98045	0.8
119.05022	2.1
120.99651	0.6
121.02965	2.1
123.00863	0.9
123.04537	0.7
125.02409	0.9
133.02946	2.1
134.03664	0.7
135.04538	6.0
137.02441	75.7
138.02728	1.8
143.03412	0.5
145.02930	0.7
149.02412	0.6
151.04016	0.9
152.01144	80.5
152.99539	0.5
153.01967	12.9
161.02441	3.8
163.03947	2.8
173.04550	1.0
173.05984	0.8
178.06424	0.7
179.03502	1.6
181.05118	1.0
183.13870	0.7
193.08611	1.3
205.05110	1.3
233.48537	0.5
253.07021	0.6
257.08392	0.5
273.96448	0.5
279.05331	0.5
285.95874	0.6
295.06067	2.3
297.03528	0.8
297.06219	8.3
315.07297	2.7
339.07150	2.1
343.08264	0.7
357.08267	15.2
358.08572	0.9
417.08319	9.3
435.09485	3.0
477.10367	100.0
477.25085	2.3
478.10654	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	477.1035
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
56.27416	0.3
57.03430	1.7
59.01370	3.0
61.98818	1.1
65.00315	0.4
69.49020	2.4
71.01361	0.7
72.99297	0.7
73.02924	0.4
75.29995	0.3
83.01385	0.6
83.64745	0.3
85.02929	0.9
93.03459	0.4
98.19897	0.6
99.04501	1.2
101.02420	0.7
107.01382	0.8
109.02952	0.8
119.04989	0.8
123.04527	3.9
125.02451	0.9
135.04509	0.8
137.02409	0.9
151.00369	3.2
153.01926	0.8
153.05563	4.0
161.02406	0.8
163.03947	0.5
171.04478	0.4
175.03987	0.6
183.04645	0.4
187.04008	0.7
189.02002	0.4
199.04010	3.5
201.01915	1.4
203.03413	0.5
215.03477	4.4
226.02797	0.5
227.03453	3.8
227.11781	0.6
228.03928	0.5
229.01430	0.7
242.02177	8.1
243.02950	38.5
244.03346	1.8
253.01691	0.4
255.02969	0.7
257.04520	10.8
270.01688	10.9
271.02438	39.8
272.02859	1.8
285.04013	23.5
286.04739	6.6
287.05060	0.5
299.01981	9.5
300.02679	5.5
314.04291	46.6
315.04944	9.6
315.18109	0.7
316.04974	0.5
357.06055	1.2
417.11789	0.4
477.10315	100.0
478.10660	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	477.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
59.01376	14.1
61.98812	1.3
70.12225	1.2
71.01367	0.7
72.99287	0.8
85.02946	0.4
87.00845	0.5
88.98777	0.4
90.72816	0.3
93.03453	43.2
94.03799	1.0
99.04517	0.5
108.02160	0.5
109.02960	0.6
113.02461	0.5
118.98104	0.5
119.05019	0.4
121.02938	0.9
123.04520	10.5
133.02975	0.5
135.04535	1.2
137.02437	100.0
138.02776	2.7
151.00323	0.4
151.03961	0.5
152.04791	0.5
153.05571	8.9
154.05873	0.3
161.02411	1.4
165.01952	0.9
173.04567	0.4
179.03563	0.3
195.06612	0.3
249.06100	0.4
249.10944	0.3
253.05063	0.8
254.23042	0.4
281.06693	1.0
297.03986	2.4
323.07697	1.2
374.65152	0.3
389.10422	0.4
417.11810	2.8
435.13028	0.4
477.08362	1.0
477.27240	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	477.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	0.6
57.03445	1.6
59.01378	7.9
61.98833	1.9
63.19667	0.4
67.01884	0.5
69.03457	2.8
71.01382	5.0
71.05017	2.3
72.99313	1.9
73.02958	1.0
75.00886	0.4
81.03442	1.1
81.92385	0.4
83.01406	0.7
83.05060	0.6
85.02950	1.9
87.15720	0.4
89.02447	3.2
93.03471	1.2
95.01387	0.6
97.02993	0.8
97.06599	0.7
97.67204	0.4
98.19923	0.9
99.04538	1.0
99.92570	2.8
101.02444	3.9
102.59258	0.4
109.02954	1.5
113.02467	1.6
116.12613	0.5
116.92861	28.2
117.92866	1.4
119.03474	0.5
121.02930	0.9
123.04503	2.5
123.08168	1.0
125.02460	0.6
125.09722	1.8
128.03619	0.4
133.02954	0.8
135.04527	2.4
137.02448	1.7
140.24997	0.4
143.03549	0.5
151.11237	1.4
153.05579	2.1
153.12834	2.3
161.02460	2.3
161.04543	1.2
161.09726	2.0
163.04070	0.5
179.03413	1.2
179.10788	5.5
181.05006	0.4
197.11824	90.2
198.12157	3.5
209.02745	0.5
211.29510	0.5
223.09801	1.9
229.01736	1.0
241.10791	10.5
243.02954	0.8
253.09341	2.1
271.02350	0.8
281.06476	0.8
285.04077	0.8
295.06113	1.7
299.96643	0.5
308.67276	0.4
314.04422	1.6
417.11816	0.6
433.64026	0.5
459.18521	0.6
477.19711	100.0
478.20081	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	477.1974
Annotation	Rhodamine 6G
Peak:m/z	Relative Intensity
52.33715	0.7
55.01880	0.8
57.03448	4.1
59.01374	16.4
61.98829	7.6
69.03449	0.7
70.81406	1.6
70.86488	0.6
71.01377	10.9
72.99297	1.3
73.02946	2.8
73.11900	0.7
78.95935	1.6
83.01369	1.1
83.11601	0.6
85.02940	3.3
87.00876	1.7
89.02441	8.3
91.04008	0.6
93.03486	0.8
95.01399	1.0
96.96008	43.7
96.96998	1.2
97.02988	0.7
99.04514	2.6
101.02442	11.0
109.02940	1.0
111.04524	1.1
113.02461	4.2
114.93423	1.9
119.03519	2.1
123.08028	0.6
125.02454	1.5
131.03397	0.7
133.63669	0.6
135.04494	1.4
151.11264	2.3
153.05547	1.1
153.12863	1.1
158.64114	0.6
161.04601	3.3
169.12326	45.4
170.12727	1.4
171.10222	1.4
176.04764	0.9
179.03404	0.7
179.10802	1.2
184.11876	0.6
197.11819	64.3
198.12199	2.5
223.09743	1.6
241.07298	1.2
241.10835	1.6
242.07962	1.2
243.08720	0.9
253.09297	7.9
295.06149	1.4
299.99200	0.7
327.23254	0.8
377.14670	2.8
379.16077	2.1
477.19778	100.0
478.20181	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	477.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	3.9
58.03780	0.6
59.01374	12.7
61.98834	5.3
69.03462	1.0
69.62707	3.9
71.01380	7.3
72.99304	1.1
73.02936	2.3
73.04971	0.7
73.72588	0.6
78.95898	1.6
79.95762	1.6
83.01398	0.8
85.02959	2.2
87.00879	1.3
88.98816	0.9
89.02439	4.0
96.96008	44.9
96.96996	1.7
97.93143	0.7
98.20197	2.2
99.04511	4.5
101.02438	8.1
109.02936	1.7
113.02451	3.2
114.93430	3.1
119.03497	1.2
125.02433	1.6
135.04488	1.6
143.03467	0.9
144.35808	0.6
151.11266	1.1
153.12743	1.4
161.02431	1.2
161.04581	2.3
169.12334	52.3
170.12677	1.6
171.10258	0.6
179.03485	0.8
181.94974	0.6
185.02402	1.4
197.11813	65.1
198.12177	3.1
223.09737	1.5
235.11748	0.8
237.30653	0.7
241.10796	0.8
253.09274	5.7
295.06027	2.1
379.16055	2.2
394.60077	0.7
477.19720	100.0
478.20114	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	477.1974
Annotation	Rhodamine 6G
Peak:m/z	Relative Intensity
54.52375	0.4
55.01877	0.9
57.03439	1.7
59.00851	0.3
59.01376	9.6
61.98828	1.4
67.53419	0.4
69.03460	2.8
69.50318	0.4
69.93562	0.8
69.93952	1.0
71.01383	7.1
71.05019	1.9
72.99311	0.6
73.02943	1.2
83.01391	1.1
85.02939	2.0
87.00886	1.7
89.02444	5.3
91.12845	0.4
95.01403	0.7
97.06618	0.5
98.20559	0.7
99.04527	0.7
101.02438	6.4
102.87495	0.4
111.86756	0.5
113.02459	2.7
119.03506	1.0
123.04498	0.5
123.08154	0.9
125.02499	0.5
125.09718	1.4
135.04518	1.0
137.09679	0.6
143.03505	0.5
151.11324	2.0
153.12790	2.0
161.02509	0.6
161.04559	1.9
161.09720	2.8
167.01666	0.5
173.04527	0.8
179.03535	1.2
179.05640	0.5
179.10773	5.6
197.11819	76.9
198.12178	2.4
211.13451	0.6
223.09750	1.2
229.01524	0.8
234.90257	0.4
241.10776	7.2
241.14662	0.4
241.84032	0.4
253.09302	4.1
315.14404	0.5
326.85556	0.4
369.08810	0.5
459.18726	0.7
477.19742	100.0
478.20041	8.5
482.08801	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47600	0.7
61.32288	0.6
62.23695	0.5
65.08107	0.5
69.30405	2.3
69.30816	2.4
78.95904	7.2
93.43240	0.6
110.48888	0.6
120.96954	2.3
138.98032	1.9
152.99562	3.3
195.00594	4.3
197.60649	0.6
199.85071	0.8
213.01773	1.5
278.83578	0.6
279.23199	1.3
280.23593	1.3
281.24835	100.0
282.25156	7.5
301.03378	0.8
325.41443	0.7
396.43774	0.6
396.49399	0.6
418.82596	0.7
477.26163	20.1
478.26569	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	477.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77787	0.4
54.91642	0.4
58.11144	0.5
58.72750	0.4
59.01399	0.7
70.37378	0.6
70.37711	1.0
78.95915	1.0
83.05031	0.7
83.73083	0.4
86.24028	0.4
137.09718	8.0
143.21771	0.5
152.99548	1.0
153.09116	0.7
155.10773	100.0
156.11127	2.9
171.10252	16.5
172.10713	0.7
181.08691	2.1
195.00587	0.7
199.09741	46.5
200.10107	1.4
217.10786	76.4
218.11078	2.5
243.80211	0.5
276.33170	0.5
277.21683	33.9
278.22043	1.6
279.23090	0.6
280.23734	0.6
281.24817	7.0
309.85858	0.5
477.26352	1.8
477.32166	28.7
478.32611	2.5
482.54831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45086	0.2
59.01382	1.2
61.98830	100.0
71.01385	0.7
71.51445	0.2
71.51841	0.3
73.02953	0.4
75.00887	0.3
85.02971	0.2
96.96030	0.4
99.04543	0.2
101.02431	0.4
109.02944	0.2
113.02381	0.2
126.06239	0.2
134.11523	0.2
153.02010	0.4
171.10194	0.3
201.11366	0.3
202.25555	0.2
225.11452	0.4
261.94748	0.2
289.36020	0.2
335.13409	0.2
418.17044	0.3
478.15689	0.6
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	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
50.82668	0.5
62.96405	0.6
71.01611	1.1
78.95903	54.9
96.96973	3.7
105.01997	0.5
122.00155	1.1
140.01166	5.0
148.63336	0.5
149.35104	0.5
152.99582	8.6
171.00635	8.2
184.22350	0.5
196.03795	9.9
214.04817	2.0
274.71628	0.6
277.14395	0.4
281.24844	100.0
282.25238	6.7
309.20740	0.5
404.26398	0.7
478.29385	61.2
479.29816	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	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
65.93522	0.5
66.78660	0.5
71.53255	0.8
74.92648	0.4
78.95902	100.0
82.16357	0.4
96.96960	7.1
115.15606	0.5
127.88445	0.5
140.01215	0.9
152.99576	18.4
171.00632	21.3
183.88719	0.5
185.41005	0.7
193.65509	0.5
196.03812	1.0
206.92188	0.5
208.85565	0.5
214.04822	1.6
281.24838	74.7
282.25250	4.7
325.22546	0.5
388.84357	0.5
404.25632	2.3
478.29388	73.1
479.29745	5.8
502.88223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69730	0.5
55.28406	0.5
57.03431	1.3
58.00584	0.6
59.01377	9.0
59.91577	0.6
61.98819	1.2
67.01879	1.5
69.22255	3.5
69.22671	1.1
71.01373	6.8
71.05035	0.7
72.55092	0.6
72.99308	0.6
73.02943	1.7
80.02654	0.6
81.03463	1.3
83.01396	1.1
85.02943	1.9
87.00881	1.0
88.04019	0.8
89.02445	1.5
91.01888	2.0
95.01384	1.9
96.99319	0.6
99.00873	3.2
101.02445	5.0
107.01382	5.0
108.02172	34.3
109.02969	11.3
111.00891	0.9
113.02429	2.5
115.00358	0.7
123.00880	4.6
123.04520	22.8
124.01619	0.9
125.02406	1.6
125.09729	0.7
126.89806	0.6
132.03058	0.7
135.04536	0.9
139.11230	0.9
151.00368	7.4
151.03976	0.6
152.01144	67.2
153.01933	21.5
154.02235	0.6
161.04610	1.1
163.11282	1.1
166.02718	8.5
167.03487	100.0
168.03836	3.4
171.10216	1.5
173.04469	0.7
181.05037	6.2
181.12340	3.6
183.10329	0.9
186.12488	0.8
195.02966	1.8
197.11806	0.8
199.13467	2.9
207.10307	4.4
225.09268	1.0
225.11308	9.3
227.12875	3.1
237.03880	0.6
243.12387	5.0
246.13072	0.7
253.09373	0.9
269.13837	0.8
287.15018	6.6
296.05365	2.7
297.06140	38.8
298.06586	1.8
311.07700	33.4
312.07932	1.7
333.19916	0.8
347.22952	0.5
354.09818	0.7
389.18323	1.6
461.20258	0.8
479.11966	45.1
479.21283	25.6
480.12338	4.0
480.21738	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03431	1.4
59.01378	7.4
61.98822	1.2
66.80447	0.3
69.03434	0.5
69.89281	0.3
71.01378	4.9
71.05019	2.0
71.51914	0.3
72.62872	0.3
72.99273	0.3
73.02947	0.8
75.40934	0.3
78.95872	0.5
81.00919	0.3
83.01402	0.5
83.05013	0.3
85.02947	1.5
87.00853	0.4
89.02441	3.8
90.40685	0.3
93.03440	0.4
95.01384	0.5
96.96012	0.7
97.02945	2.4
97.06574	1.4
98.95580	0.5
99.00878	14.6
99.04501	0.9
99.92587	2.1
101.02439	5.1
109.02942	0.5
109.06585	1.0
110.03712	0.6
111.08234	0.3
113.02442	2.2
114.94968	0.3
115.92063	1.5
116.92854	15.9
117.92839	0.6
119.03466	0.9
123.04515	1.3
123.08146	1.2
125.02402	0.5
125.09718	5.0
135.04549	0.5
135.08179	0.5
135.43056	0.3
136.05243	0.3
137.02444	0.9
142.02728	0.8
143.03487	0.4
150.27390	0.3
153.12816	0.6
155.14427	0.9
158.03841	0.3
161.04536	1.2
163.11267	7.5
164.11670	0.3
167.03467	1.5
171.10225	3.2
173.04445	0.5
173.17596	0.4
179.05658	0.4
179.10756	0.9
181.05159	0.5
181.12321	15.3
182.12579	0.3
182.97546	0.3
187.58832	0.3
197.11815	1.2
199.13391	11.3
200.13704	0.6
201.11345	0.8
207.10236	23.4
208.10548	1.0
222.37534	0.3
225.11302	39.7
226.11606	1.8
226.87454	0.4
226.96480	2.1
227.12956	0.5
243.12347	26.2
244.12752	1.6
253.09233	2.9
256.82971	0.3
279.12485	0.4
287.14835	0.6
311.07465	0.6
317.16284	0.7
335.17053	0.3
443.06107	0.8
461.20401	1.6
479.08722	4.4
479.21268	100.0
480.21616	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	479.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
58.39006	0.5
59.01380	15.7
61.98816	1.0
67.01889	1.0
68.92295	0.5
69.37997	3.6
69.38412	1.2
71.01375	8.6
71.02518	0.7
71.05017	2.2
72.99297	0.6
73.02934	2.0
73.61972	0.6
81.03475	0.6
83.01386	1.9
85.02949	2.0
87.00883	0.8
88.04044	0.9
89.02424	2.2
91.01865	0.6
96.76397	0.6
97.02949	1.9
97.06592	1.0
98.19898	1.2
99.00877	12.8
101.02430	5.4
107.01381	2.2
108.01472	1.1
108.02169	15.2
109.02964	5.6
109.06579	1.4
110.03763	0.8
111.00854	0.7
113.02440	2.9
115.00376	2.1
119.03424	0.6
123.00888	2.1
123.04527	11.4
124.01659	0.8
125.02418	0.8
125.09683	4.1
129.10359	0.7
132.02992	1.0
135.04492	1.1
137.02498	0.8
139.11316	1.5
142.02679	1.0
151.00328	3.7
151.03999	0.7
152.01149	31.1
153.01938	11.1
161.04488	1.2
163.11290	6.2
166.02731	4.6
167.03490	49.5
168.03815	1.0
171.10254	2.9
173.04535	1.0
181.05048	3.0
181.12332	13.8
183.10228	1.8
186.12422	2.6
193.98660	0.7
199.13393	10.4
207.10251	21.3
208.10634	0.8
209.11723	1.4
224.66982	0.6
225.11319	37.3
225.14893	1.7
226.11661	1.8
227.12817	6.5
243.12363	23.7
244.12737	0.6
253.09187	1.6
257.08234	1.3
259.49210	0.6
269.14001	2.2
287.14987	14.7
288.15283	0.9
296.05298	2.2
297.06149	18.7
298.06427	0.8
311.07724	15.5
312.08163	1.3
315.18210	0.8
329.16092	1.1
333.19116	1.1
363.20276	1.4
364.18658	2.8
371.85306	0.8
389.18286	3.5
461.20444	0.9
479.11905	19.3
479.21252	100.0
480.12454	1.7
480.21646	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	479.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.4
59.01384	3.9
61.98831	4.2
71.01379	1.8
71.52030	1.4
78.95901	15.5
96.96011	1.6
99.08138	3.7
99.92569	1.4
110.98535	10.6
113.09711	2.7
124.05814	1.2
125.09721	1.5
129.09222	2.8
139.11292	2.6
152.99567	5.5
167.01138	5.9
169.12372	2.1
171.10291	10.2
181.12367	1.7
183.13898	2.3
185.02223	7.5
193.12337	4.5
197.11774	8.0
199.13402	2.8
201.11174	1.3
207.10211	2.3
211.13353	9.6
219.45815	1.2
229.83249	1.4
275.20358	1.3
293.21225	15.3
311.22269	100.0
312.22470	7.4
317.21176	1.4
345.84204	1.4
389.10699	1.4
389.25079	1.6
450.00101	1.4
479.24149	56.4
480.24661	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	479.2495
Annotation	glas#16
Peak:m/z	Relative Intensity
57.03446	5.4
59.01378	22.7
61.98816	1.8
71.01373	9.3
71.51994	0.5
71.52436	0.8
72.99285	1.8
73.02943	1.2
75.00852	0.7
78.95901	5.4
81.03396	0.6
83.01354	0.7
85.02925	1.4
87.00858	1.4
88.98783	1.2
89.02432	5.5
93.03426	0.6
95.01396	0.7
99.04520	4.5
101.01876	0.7
101.02439	6.4
102.05580	1.3
103.03970	1.6
113.02460	2.7
119.03473	2.0
120.99666	0.6
123.04530	0.9
125.02423	0.8
128.03522	1.3
135.04483	1.5
137.02419	1.5
145.02797	0.5
146.04568	0.6
149.02446	0.5
151.03929	0.5
152.99605	4.9
158.03688	2.2
165.01936	1.1
171.00598	1.1
173.04582	1.6
173.06058	1.8
179.03554	0.7
195.17546	3.8
209.19095	4.6
211.17014	9.2
219.17451	2.7
237.18597	4.6
239.16423	2.0
241.17960	0.9
255.17134	0.9
255.19643	9.5
257.17551	22.5
258.17856	1.1
271.19019	0.6
281.17596	3.0
299.18597	5.8
317.19595	11.2
318.19888	0.8
332.63095	0.6
359.20810	1.3
399.10641	1.0
407.16632	0.9
417.24930	1.6
419.22766	6.9
461.23715	3.6
479.24908	100.0
480.25470	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	479.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07681	0.4
54.08346	0.5
57.03447	0.7
57.51906	0.4
59.01379	100.0
60.01703	0.7
61.98832	2.1
69.72746	2.4
71.01387	1.7
78.95937	1.1
83.34631	0.4
87.04512	4.7
88.98849	0.5
89.02456	1.0
96.96024	0.6
98.66536	0.4
101.02441	0.9
113.02449	1.1
117.27329	0.4
124.82562	0.5
131.74522	0.6
131.75554	0.4
134.17285	0.5
135.04480	0.6
152.99542	0.6
161.02493	1.3
161.04550	0.5
163.03979	0.6
335.21484	0.9
479.25928	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	479.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02057	0.3
57.03440	0.4
59.01380	100.0
60.01720	0.9
61.98837	1.1
70.18389	0.3
70.71731	1.0
71.01398	1.0
78.95910	0.7
79.80793	0.3
82.20258	0.3
85.02963	0.4
87.04511	1.8
88.98823	1.0
89.42608	0.3
91.60809	0.4
96.96008	0.3
101.02466	0.7
102.05616	0.4
113.02450	0.5
114.01352	0.3
135.04555	0.5
152.99564	0.7
209.26843	0.3
224.53905	0.3
311.22354	0.4
339.05194	0.4
479.26590	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	479.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00581	0.5
59.01376	100.0
60.01711	0.6
61.98825	2.6
69.37884	2.4
71.01382	10.9
72.99333	1.1
73.02943	3.9
78.95913	1.1
83.01392	1.6
85.02946	3.6
87.00877	0.6
88.98798	1.9
89.02440	6.1
95.01389	0.8
99.00910	0.5
101.02448	6.7
107.94323	0.3
113.02447	6.8
114.70735	0.4
119.03486	2.1
135.04572	0.5
143.03516	1.0
149.04623	0.4
161.02483	1.1
161.04518	1.9
167.03455	0.4
171.10283	0.5
178.69658	0.4
179.03514	0.5
179.05663	1.0
182.88950	0.4
195.10529	0.4
309.04788	0.3
317.21243	0.4
340.50912	0.3
419.24338	2.1
437.25488	2.6
438.26260	0.6
479.31686	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03429	1.2
59.01368	4.8
61.98831	100.0
71.01398	2.5
71.52011	0.9
72.99311	0.9
73.02953	1.3
76.07178	0.7
84.59346	0.6
85.02941	0.8
87.00894	0.8
87.98562	0.6
88.98836	1.0
93.03470	1.5
99.04565	0.7
101.02465	2.3
102.05638	1.1
108.02208	4.8
109.02964	4.4
113.02465	1.1
119.05029	0.8
121.02985	0.8
123.04523	3.6
125.02462	1.2
128.03574	2.9
135.04559	2.5
137.02492	1.3
145.03049	0.8
146.04597	1.5
152.01193	3.0
153.01985	3.7
153.05585	2.8
154.05946	1.3
154.09625	0.9
161.02438	1.5
173.04587	2.4
177.01973	1.0
179.03621	0.9
191.05637	0.9
227.03484	13.8
228.03838	0.7
240.28606	0.7
255.02950	18.5
256.03720	2.7
284.03265	26.6
285.03867	5.9
315.07248	1.0
318.20166	0.8
321.00159	0.8
417.08258	47.9
418.08752	2.9
462.18939	1.0
479.26205	1.7
480.20288	1.4
480.26639	3.5
481.13428	4.6
481.27014	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	480.2597
Annotation	18-Demethylpubescenine
Peak:m/z	Relative Intensity
52.14086	0.6
55.01859	0.6
57.03440	1.6
59.01376	2.8
61.98825	2.0
67.01889	1.4
67.66226	0.4
69.03449	2.2
69.14344	5.6
71.01386	1.7
71.05020	0.9
73.02946	1.1
74.02515	0.5
78.95905	1.4
81.40690	0.6
82.03006	0.6
83.05021	2.5
84.04552	3.5
85.02956	0.7
93.03448	9.7
95.05020	1.0
97.02981	0.5
97.06586	2.8
98.06127	0.6
99.04520	5.5
99.08104	0.5
101.02455	0.6
102.05606	26.6
107.05034	0.8
109.06567	1.1
110.06844	0.6
111.04507	2.4
119.08633	2.3
123.04482	0.9
123.08154	1.0
124.07690	0.9
128.03543	11.9
131.25427	0.6
133.02969	2.1
134.03717	2.5
135.04512	1.4
137.02420	2.7
137.09732	3.6
140.10786	1.2
146.04582	3.5
152.07230	0.6
152.99579	3.1
153.01907	0.8
153.05600	1.2
153.09174	0.8
155.03542	1.2
168.06577	1.0
173.04530	34.4
177.01947	1.3
178.02686	1.4
181.08705	2.2
183.08954	7.1
183.10338	0.4
184.09708	1.3
190.42958	0.5
201.16476	1.3
227.07935	1.8
238.14586	0.6
266.13910	1.2
275.09204	1.2
310.12985	1.2
333.20288	0.8
351.21771	18.6
352.22015	1.4
416.94843	0.6
436.27029	3.5
449.14688	3.3
462.24802	4.0
469.66083	0.6
480.25995	100.0
481.07959	1.3
481.26614	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	480.2602
Annotation	18-Demethylpubescenine
Peak:m/z	Relative Intensity
53.44160	0.4
55.04754	0.4
57.03444	1.1
57.20071	0.4
59.01377	2.5
61.98814	1.0
69.03445	1.2
71.01381	0.5
71.05017	1.0
72.04556	0.6
72.99298	0.7
73.02927	1.6
74.02453	0.8
79.05534	0.4
83.05029	0.9
84.04546	4.8
85.02921	1.0
87.04487	0.4
90.77401	0.4
95.04993	0.9
97.06573	1.2
98.06102	1.2
99.04516	7.0
102.05607	51.5
103.05914	0.6
107.04916	0.4
109.02929	0.5
112.07691	0.6
114.09222	1.5
121.10246	0.9
128.03534	27.1
135.04538	0.9
135.08182	0.9
137.02376	0.7
137.09717	2.4
139.07649	0.7
139.11296	0.6
140.10786	1.0
146.04587	8.5
150.03352	0.4
151.11282	0.8
153.01904	0.5
158.08238	0.9
159.15385	0.4
161.02477	0.6
163.04027	0.5
163.11295	0.8
165.09126	0.4
168.11589	0.6
179.03511	0.6
184.09752	0.5
185.11810	0.8
198.12582	1.6
219.17422	0.6
233.15425	0.5
238.14423	0.8
251.16582	0.8
256.94376	0.4
277.18137	1.1
289.21838	3.3
307.22791	1.8
322.76013	0.4
351.21808	9.7
351.26187	0.6
352.22211	0.7
436.27103	2.4
462.24887	1.5
480.25998	100.0
481.08270	0.7
481.26373	8.1
486.75674	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.1
59.01382	9.4
60.99288	3.5
61.98822	5.4
65.00303	1.7
67.01896	3.7
68.99809	2.9
69.03458	2.5
69.22857	5.4
69.23274	8.7
71.01375	17.5
71.85091	1.6
72.99298	3.1
79.01861	2.3
81.03455	5.7
83.00953	1.6
83.01382	8.3
85.02955	9.8
87.70694	1.6
88.98800	15.6
89.02420	2.6
93.03445	17.3
94.56276	1.5
95.01378	11.6
96.94836	1.6
97.02964	4.5
98.19852	2.9
99.00883	5.0
101.02441	9.6
107.01366	4.4
108.02206	3.9
109.02940	7.4
110.00097	2.0
111.00887	8.6
111.04526	3.4
112.98784	2.0
113.02458	8.1
117.62758	1.6
121.02949	10.4
123.00886	99.3
123.04522	8.1
124.01674	86.9
125.02463	54.2
125.99568	2.3
127.00349	6.9
127.17657	1.7
131.01437	2.0
135.04559	2.7
136.98802	7.9
137.02435	23.1
138.03232	31.9
139.00371	14.1
139.04013	39.0
149.02428	2.0
149.99590	40.0
151.00345	3.2
152.01099	5.2
153.01926	12.8
153.05574	14.8
154.02690	6.1
155.03468	8.3
161.04597	2.3
166.02635	1.8
166.99847	6.4
167.03520	17.8
168.00644	69.7
169.01363	6.8
170.91837	1.5
173.04547	54.1
173.06055	3.2
174.04927	2.3
174.06813	1.8
179.03589	1.8
181.01419	9.7
181.05043	2.4
182.02194	24.2
183.02969	21.2
186.92339	1.7
187.07671	4.2
191.05569	4.3
195.03017	1.7
196.03813	4.4
197.04543	40.9
199.84918	1.6
207.10194	2.5
226.11749	2.3
227.12051	2.1
231.10222	4.5
245.12947	1.8
275.09348	9.9
296.05249	2.8
307.11871	5.2
311.07697	13.8
312.04669	1.8
313.05505	3.4
326.06372	6.5
327.07104	14.3
331.06671	4.1
341.08752	76.8
342.09082	4.2
449.14413	2.4
463.08890	2.5
466.11249	4.5
481.09290	62.0
481.13547	100.0
481.22302	7.8
482.03592	2.2
482.08969	2.5
482.13770	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	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47516	0.5
59.01374	2.9
61.98832	3.5
67.01892	0.6
67.30155	0.6
67.49239	0.6
71.01377	1.8
72.99310	1.2
78.95908	1.1
83.01377	1.0
83.05032	0.7
85.02947	1.5
87.00850	0.8
87.24697	0.6
89.02435	0.6
93.03452	5.2
96.95997	5.2
97.06579	6.1
99.00873	0.8
99.04528	0.9
102.05606	1.0
106.04282	0.8
108.02149	2.8
109.02946	2.5
111.04528	3.8
113.02419	1.1
119.05000	2.9
121.03001	0.7
123.04522	12.5
128.03526	0.7
133.02948	4.4
134.03734	100.0
135.04573	10.3
137.02429	3.4
139.04086	0.6
139.07707	1.0
143.07085	0.9
146.04585	0.6
152.01141	1.7
152.99553	1.1
153.01944	2.3
153.04332	1.0
153.05568	19.2
154.05853	0.7
155.03461	4.5
161.02431	0.9
163.03957	1.6
173.04532	10.8
173.08098	0.7
177.01927	6.9
178.02699	18.6
179.03494	2.5
185.11787	0.7
187.07663	0.8
191.05585	1.2
210.53485	0.6
218.38866	0.5
231.10272	4.1
275.09235	5.8
285.03995	0.6
307.11838	99.8
308.12216	5.8
310.59479	0.6
315.10703	0.9
319.19070	0.8
327.10696	1.1
393.13861	1.9
481.07950	2.3
481.17032	12.9
481.25394	1.2
482.16583	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06814	0.5
57.03444	1.0
59.01378	5.7
59.23864	0.5
61.98841	2.2
69.03445	0.5
69.64039	0.7
69.64440	2.1
71.01376	2.9
72.99331	0.7
73.02953	2.0
78.95884	0.5
81.03455	0.9
83.01369	3.5
85.02972	1.0
89.02444	0.6
93.03445	1.6
95.05019	1.0
96.35443	0.5
96.96017	1.9
98.19959	0.6
99.04537	0.7
101.02438	2.1
106.04281	1.2
107.05033	0.6
108.02196	1.4
109.02943	7.6
111.00864	0.9
111.04542	0.9
113.02455	0.9
115.39483	0.6
119.05006	0.8
121.02959	0.8
121.06612	4.9
122.03738	1.5
123.04525	79.5
124.04887	1.5
125.02474	0.8
133.02950	2.1
134.03731	1.4
135.04518	3.1
136.07703	0.7
137.02457	1.7
139.07672	6.7
145.06653	1.1
147.04466	0.6
149.06139	0.5
151.71391	0.5
152.01172	1.6
153.01974	10.5
153.05571	100.0
154.05920	3.3
161.09743	2.3
163.07654	1.9
164.01108	1.0
165.05568	2.0
173.04585	2.2
177.01900	1.5
178.02655	1.5
179.03493	0.9
179.07140	0.5
181.08696	0.8
183.06631	1.6
189.05606	2.7
205.08707	2.0
207.06665	1.4
225.07690	1.8
231.06602	0.7
249.07649	5.4
267.08701	1.6
275.09122	1.6
285.04495	0.6
307.12109	0.6
315.10822	7.1
316.11188	0.6
327.10846	5.6
401.12476	0.6
449.14310	0.7
481.08698	2.2
481.17123	42.4
481.25528	3.0
482.17599	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	481.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23620	0.1
54.47684	0.1
57.03446	8.7
59.01378	7.8
60.99300	0.6
61.98822	0.5
64.57323	0.1
65.03972	0.2
65.12283	0.1
67.01889	4.8
69.03456	1.1
71.01376	4.1
71.05014	0.2
71.11830	0.2
71.30702	0.2
72.99305	0.2
73.02939	0.5
78.95904	0.7
81.03465	0.7
83.01413	0.5
83.05010	0.9
85.02937	0.9
87.00869	0.5
93.03454	26.4
94.03790	0.4
95.01418	0.3
96.96016	0.9
97.06618	0.3
99.04517	8.1
101.02442	2.4
102.05617	0.4
105.03466	0.2
109.02943	1.0
111.00880	0.8
111.04517	5.1
113.02422	0.8
115.03961	0.2
121.02937	0.4
123.04539	0.2
125.02453	2.9
127.04015	0.4
128.03539	0.3
133.02945	3.5
134.03737	5.8
135.04552	1.7
137.02440	7.4
138.02710	0.2
139.03999	0.8
146.04608	0.2
149.02415	0.4
150.03215	0.4
152.99599	1.0
153.01930	1.0
155.03510	4.4
160.01564	0.2
161.02440	0.7
161.04622	0.4
162.03235	0.2
163.00377	0.2
164.01123	0.9
165.01930	0.3
173.04536	100.0
174.04901	2.1
177.01904	3.3
178.02696	8.4
178.04288	0.3
179.03470	1.0
231.10292	0.5
245.04266	0.4
253.21643	0.2
267.06766	0.2
275.09259	2.9
285.03796	0.2
289.18124	0.6
300.02582	0.3
306.07370	0.2
307.11807	2.5
319.18991	1.2
337.02557	0.7
352.08032	0.3
383.10809	0.2
449.14548	2.0
450.15378	0.2
481.08063	2.1
481.17172	3.0
481.25284	2.2
482.17737	0.2
482.27469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.1
59.01380	1.7
59.84282	0.1
60.99299	0.6
61.98833	0.4
65.03951	0.2
67.01890	4.7
69.03449	1.1
69.16648	1.9
69.40913	0.2
71.01378	2.7
72.99311	0.3
77.04034	0.2
78.95909	0.6
81.03454	0.7
83.05000	0.9
85.02957	0.5
87.00866	0.3
93.03457	28.3
94.03790	0.5
97.06612	1.1
99.04543	0.3
101.02470	0.2
102.05664	0.2
105.03436	0.3
108.02183	0.6
109.02959	1.6
111.00877	1.0
111.04516	4.6
113.02448	0.5
123.04512	0.4
127.04008	0.5
133.02942	1.1
134.03741	16.6
135.04584	1.6
137.02441	5.6
139.04036	0.2
152.01134	0.7
152.99582	1.0
153.01930	0.5
153.05545	0.4
155.03493	4.9
164.01205	0.3
173.04544	100.0
174.04893	2.2
176.29442	0.2
177.01909	1.3
178.02689	3.2
179.03409	0.5
231.10225	0.7
275.09247	1.1
307.11847	9.8
308.12308	0.5
368.00958	0.2
391.79297	0.2
437.67130	0.2
449.14377	0.7
481.08975	0.4
481.17007	4.3
481.27493	0.3
482.17322	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01222	0.5
51.04340	0.5
51.69250	0.5
54.18033	0.5
57.03437	0.8
57.63288	0.5
58.00592	0.9
59.01376	7.4
59.03765	0.5
61.98825	1.2
64.14825	0.5
67.61198	0.5
69.56787	1.6
69.57200	1.6
71.01380	4.7
71.76608	0.6
72.99305	0.7
73.02946	1.1
78.95890	0.8
80.02668	1.3
83.01393	0.8
83.05027	3.8
85.02953	1.1
87.00851	0.8
89.02455	4.8
93.03480	0.7
95.01417	0.5
96.96020	0.7
98.20571	1.1
101.02446	5.5
113.02440	1.8
119.03490	1.2
122.06100	1.5
123.04509	0.6
125.02441	0.6
125.09686	1.5
126.90458	2.8
127.11276	2.2
135.04506	0.7
137.02405	0.9
151.03966	0.7
153.01912	0.8
155.10770	1.5
161.04523	2.5
163.11296	2.9
165.09189	1.1
165.12793	2.3
171.10239	1.4
173.04587	0.7
179.05573	0.9
181.12360	0.8
191.10805	0.7
193.04558	0.6
199.09694	0.7
201.11313	52.8
202.11681	1.1
202.94460	0.6
209.11809	100.0
210.12135	4.1
227.12880	18.4
235.08302	0.8
243.27640	0.6
253.09268	24.6
254.09579	1.5
257.12933	0.7
275.09167	0.8
281.46005	0.6
301.11902	1.9
419.44354	0.7
437.20132	3.5
445.20560	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
77.13462	1.4
78.95901	49.7
96.96939	3.8
103.91798	1.4
138.31465	1.2
152.99582	82.8
171.00629	20.7
178.24649	1.6
183.71793	1.5
216.07387	1.3
227.03218	6.4
245.04300	100.0
246.04503	1.7
253.21713	71.1
254.21896	2.0
409.30963	5.7
481.25681	96.1
482.26035	7.2
508.95801	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	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86783	2.1
77.00874	2.3
78.95900	56.5
96.96011	5.3
96.96939	7.1
98.20756	5.1
115.89064	1.9
121.88293	1.9
129.57983	2.1
152.99576	79.1
153.22060	2.0
164.35370	2.0
171.00645	21.5
227.03192	6.2
231.99388	2.1
245.04283	100.0
253.19005	2.6
253.21709	68.0
481.25558	91.8
482.25885	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	481.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39995	0.6
69.44874	3.0
69.45287	1.4
78.95900	40.5
89.70241	0.6
94.67064	0.7
95.60706	0.8
96.96950	3.0
137.02924	0.7
152.99579	75.2
154.00000	0.8
156.76846	0.7
171.00630	13.8
186.47873	0.8
221.69124	0.7
224.13139	0.7
227.03262	7.0
245.04289	56.7
246.04637	1.8
253.21696	39.1
254.22035	2.1
328.71475	0.9
400.13028	0.7
481.25693	100.0
482.26080	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	482.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20532	0.5
57.03453	0.9
59.01373	2.2
59.76970	0.5
61.98827	2.3
66.48343	0.5
69.03448	0.5
71.01373	1.3
71.05020	0.6
71.45997	1.0
72.99264	0.6
73.02960	0.5
74.02465	0.6
76.67825	0.5
78.95908	0.7
83.05029	0.7
84.04533	3.2
85.02946	1.1
93.03476	0.9
96.95972	0.5
99.04556	1.0
101.02417	0.7
101.06081	1.9
101.54588	0.6
101.74412	0.5
102.05608	78.2
103.05979	0.6
104.16045	0.6
109.06585	0.8
110.49100	0.5
111.04569	0.8
111.08138	0.6
120.13274	0.5
120.38483	0.5
121.06582	0.5
123.04514	0.7
128.03539	68.3
129.03893	0.7
132.00325	0.5
133.02971	0.7
135.04523	1.0
137.02435	0.6
137.09700	0.9
139.11319	1.9
146.04590	44.1
147.04831	0.5
150.03177	0.6
151.11371	0.7
152.99579	1.1
161.02399	1.6
161.48083	0.5
163.03946	0.5
168.11542	1.7
169.12387	2.5
169.92027	0.5
179.03403	0.6
183.13945	2.2
230.10326	0.5
233.19101	0.6
251.20155	1.7
309.24423	1.5
353.23300	10.8
436.25818	0.5
438.28665	1.9
464.26416	8.4
465.26544	0.9
481.51163	0.7
482.27567	100.0
483.27979	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	482.2757
Annotation	Delcaroline
Peak:m/z	Relative Intensity
57.03437	0.9
57.94966	0.5
59.01369	2.6
61.75106	0.6
61.98823	1.1
65.92565	0.6
70.53623	0.5
70.72720	1.1
70.73037	0.9
71.01387	1.2
72.76765	0.8
73.02917	1.2
74.02480	1.1
78.95904	1.1
83.05049	1.1
84.04546	2.3
85.02930	0.9
85.06567	0.8
87.04446	0.7
89.02328	0.5
97.06565	1.7
99.08129	1.6
99.92579	10.2
100.41502	0.6
101.02405	1.1
102.05606	71.0
103.05956	0.7
115.92062	1.5
128.03537	61.3
130.72122	0.6
135.04498	1.0
137.09657	0.7
139.11270	2.6
146.04591	40.4
147.04852	1.1
151.11284	2.3
152.99606	1.4
161.02470	1.2
169.12350	3.1
192.39128	0.6
198.12651	1.4
265.72000	0.6
294.05664	2.6
309.24387	3.3
353.23267	11.8
354.23483	0.9
438.28482	1.0
464.26511	8.2
465.27332	0.9
482.27567	100.0
483.28085	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	482.2759
Annotation	Delcaroline
Peak:m/z	Relative Intensity
57.03442	2.5
59.01380	5.5
61.98831	13.7
69.03454	2.0
71.01379	1.9
71.05017	1.2
71.52077	0.6
73.02930	1.5
78.95901	7.2
82.03037	0.6
83.01366	0.9
83.05021	1.9
84.04553	4.4
85.02956	1.4
87.04513	2.3
94.65607	0.4
95.05029	0.8
96.96022	1.3
97.06560	0.8
98.03738	0.6
98.06100	0.7
99.04527	4.5
100.04065	0.6
101.02439	1.6
102.05606	37.5
109.06606	0.6
113.02490	0.8
121.10250	0.9
123.08178	0.8
125.09730	0.6
127.07631	0.8
128.03534	17.3
128.04469	1.1
129.01935	0.5
129.09225	0.7
133.02957	0.8
135.04515	1.5
137.02469	1.2
140.10815	3.0
146.04575	7.1
150.98055	0.5
151.11258	0.7
152.99594	12.1
153.01938	1.5
153.09158	2.4
154.02383	0.7
161.02388	2.6
161.04561	0.8
164.01152	0.6
164.10869	0.7
170.38925	0.5
173.04518	1.1
181.12254	0.5
183.08955	0.6
187.85826	0.6
199.13376	3.3
209.15413	0.9
238.14485	1.6
245.74644	0.4
335.22150	1.9
353.23312	20.0
354.23618	1.3
420.27573	0.6
438.28683	3.8
464.26447	3.9
480.87177	0.5
482.09241	2.5
482.27594	100.0
483.09268	2.0
483.22931	2.9
483.29080	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	483.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03462	0.6
57.03456	0.6
59.01376	12.4
61.50449	0.6
61.98827	3.9
71.01379	10.0
73.02947	2.3
76.76536	0.5
80.91695	1.6
83.01377	0.8
85.02943	5.1
86.71326	0.6
87.00843	1.3
88.98795	1.2
89.02440	8.9
93.03434	0.7
95.01369	0.8
95.05036	7.7
96.96004	1.6
96.96950	1.2
97.06584	48.8
98.06933	0.8
99.04492	0.8
101.02441	7.7
113.02470	4.0
115.07652	9.9
119.03490	1.8
123.04503	0.9
131.03493	0.8
135.04468	0.9
137.06058	0.6
139.07661	1.9
141.05583	1.5
143.03505	1.3
143.94019	0.5
147.17377	0.5
153.05566	1.1
155.07089	1.1
159.06619	100.0
160.06972	2.0
161.04514	0.9
173.04500	3.6
173.08153	1.2
175.07629	1.2
179.05664	1.1
183.06619	19.1
191.05655	3.2
196.27724	0.6
201.07706	6.4
203.07188	0.8
209.13814	0.6
227.67247	0.5
231.08739	5.2
261.09784	17.2
303.10699	0.9
321.11884	32.1
322.12277	1.3
341.10846	2.6
478.81915	0.7
483.17160	60.0
484.17673	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	483.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01380	10.3
59.26408	0.5
61.98824	1.7
69.03431	0.7
71.01380	10.2
73.02955	2.0
78.95895	0.8
80.91675	0.9
81.03484	0.5
83.01385	0.7
85.02944	5.8
87.00879	1.4
87.93587	0.4
88.36785	0.4
88.63802	0.4
89.02444	9.0
93.03478	0.7
95.01371	1.2
95.05025	8.5
96.96019	0.8
97.02906	0.8
97.06586	50.0
98.06923	1.3
99.04522	0.9
101.02446	7.3
111.04568	0.6
113.02459	4.4
115.07645	10.1
119.03487	1.3
123.04493	0.6
131.03552	0.5
135.04546	0.7
137.06067	0.7
139.07629	2.6
141.05573	1.5
143.03494	0.9
153.05568	0.8
155.07155	1.4
159.06621	100.0
160.06981	2.3
161.04520	1.2
165.05586	0.6
173.04543	1.7
173.08208	1.7
175.07602	1.0
179.05649	1.3
183.06607	18.4
184.07025	0.8
191.05583	2.0
195.06387	0.5
201.07684	7.6
203.07179	0.8
231.08710	4.7
243.08774	0.5
255.23167	0.9
257.62466	0.5
259.53653	0.5
261.09772	17.5
261.12488	1.0
262.10086	0.5
299.43076	0.6
303.10757	0.8
321.11877	32.6
322.12283	1.5
341.10876	2.2
401.18878	0.6
455.29022	0.5
483.17154	58.4
484.17441	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	484.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37759	0.9
59.01371	2.8
60.03882	0.9
66.40863	0.9
70.06026	4.2
71.01379	15.1
72.99312	1.7
77.03320	0.9
85.03047	0.9
86.00094	1.8
87.92533	34.5
89.02499	1.0
90.94846	1.2
93.34235	0.8
97.02921	1.8
99.00829	2.3
103.92023	31.0
104.92806	26.8
105.93605	5.8
106.94388	1.2
113.02407	0.9
114.94865	4.9
115.92981	0.9
123.94650	4.7
130.94353	8.5
142.05077	2.9
142.94431	1.4
142.99908	1.6
143.03568	0.9
156.95932	2.5
158.93822	1.7
168.95921	1.8
171.94644	100.0
172.95450	5.4
184.95415	1.9
185.96167	2.4
197.96141	1.5
201.91972	3.6
201.95692	34.3
202.95793	1.1
213.95686	3.1
214.96405	2.5
215.97331	1.3
216.98030	3.8
225.95638	2.7
226.96284	1.5
231.96739	5.9
233.98148	1.3
234.99086	1.9
249.97755	7.1
255.96690	2.6
257.98297	20.6
258.98764	1.8
271.96228	1.6
273.97797	7.2
274.98581	2.5
275.99420	1.5
287.99371	3.9
299.99243	1.4
301.97253	2.1
303.98837	1.1
306.00400	7.0
321.96390	2.1
321.99722	9.3
341.10864	2.8
361.99359	3.3
373.99338	1.3
378.02371	3.3
380.00513	1.6
392.00391	2.1
396.03546	38.5
397.03830	1.7
410.01575	3.4
412.03085	11.3
439.90823	1.0
484.01505	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	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
61.98829	100.0
65.51390	0.7
69.15563	5.8
69.15972	1.3
83.05049	0.7
110.72395	0.7
111.00899	2.3
125.09762	1.0
126.52912	0.7
131.76434	0.7
135.04559	1.0
151.50916	0.7
161.02498	1.1
171.10277	1.2
187.07932	0.8
233.15480	2.0
233.23930	0.6
311.22034	0.8
379.13715	0.8
403.24948	2.5
421.26013	13.0
422.26578	0.9
423.02606	0.7
435.82773	0.8
485.28308	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	484.2916
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
52.60022	0.4
53.16341	0.4
57.03448	2.0
59.01383	2.6
61.98825	3.9
68.99581	2.6
69.19144	3.8
70.54030	0.4
71.01387	1.6
71.05027	0.6
72.04535	0.9
72.99276	0.5
73.02975	0.4
74.02475	0.5
83.05034	0.5
84.04554	3.8
85.02944	1.3
85.06584	0.8
95.05020	0.7
95.98315	0.4
97.06606	1.9
98.19884	1.0
98.20580	1.4
100.55079	0.4
101.02419	0.9
102.05606	19.0
105.48225	0.5
112.98584	2.6
114.09240	1.5
119.44695	0.4
120.05611	0.4
123.08150	0.6
128.03537	29.4
129.12207	0.4
133.02905	0.5
134.03683	0.6
135.04568	0.8
137.02388	0.5
139.11288	3.8
145.02988	0.8
146.04578	3.2
148.72540	0.4
152.99596	0.6
153.12865	1.4
161.02426	1.1
161.04576	0.7
173.04448	0.8
179.03479	0.5
185.11775	0.5
209.11671	0.4
227.16342	0.6
239.16579	0.6
240.19633	0.8
257.49847	0.4
268.22745	1.2
280.22842	0.7
302.13345	0.4
307.22781	0.5
317.15891	0.4
325.23853	7.6
326.24112	0.6
336.88382	0.4
337.23849	2.6
338.30716	0.6
338.80872	0.4
355.24863	39.1
356.25134	2.2
410.29010	2.1
422.29126	0.7
440.30154	7.4
454.28204	0.5
466.28067	7.0
467.28476	0.7
484.29169	100.0
485.12863	0.7
485.22568	0.6
485.29544	10.3
485.62735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2919
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
57.03444	1.3
59.01389	2.8
61.98830	5.5
70.04746	0.5
71.01385	1.3
71.05015	1.2
71.09619	0.5
72.07057	0.5
72.99306	1.1
74.02463	0.9
77.69523	0.7
78.95900	1.1
82.95293	0.6
83.60019	0.5
84.04530	1.5
85.02956	0.8
85.06584	1.7
85.31003	0.5
97.06607	1.0
99.08167	1.1
99.92597	1.9
101.02468	0.5
102.05609	69.1
103.05923	0.8
107.51076	0.5
119.05030	0.7
128.03539	61.3
129.03902	0.7
133.02875	1.0
135.04568	1.2
137.02428	1.3
139.11244	1.4
141.12836	2.8
146.04587	39.5
152.99591	0.5
153.12865	1.3
159.81606	0.5
161.02423	3.2
162.72771	0.5
169.12325	0.7
169.77524	0.5
171.13921	7.4
179.03537	0.7
200.14139	1.4
201.11310	1.2
209.11829	2.4
227.12895	0.5
311.26053	3.5
355.24863	8.9
356.25473	0.6
380.12341	0.6
440.30164	2.0
461.70370	0.6
466.28015	6.6
467.28891	0.7
484.29153	100.0
485.29449	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	485.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31220	1.1
55.01859	1.2
58.00608	1.8
59.01377	49.2
61.31749	1.2
66.02634	1.3
66.13048	1.3
68.99804	1.7
70.67559	3.0
71.01382	70.8
72.01739	1.6
72.99305	3.8
75.00864	3.4
83.01382	1.8
85.02953	5.5
87.00889	4.1
87.92532	2.5
89.02444	50.9
99.00876	37.0
99.04483	1.6
101.02440	14.0
102.02756	1.2
103.92046	3.7
104.92812	2.3
113.02451	14.8
115.00371	35.8
117.01944	1.8
119.03493	16.1
126.01973	3.0
131.03479	2.6
142.99858	97.7
143.03456	6.7
144.00233	2.8
144.03003	3.7
145.01392	2.4
149.04591	2.6
160.89241	2.1
161.00914	44.4
161.04532	4.4
171.94676	7.3
172.94844	2.9
179.05621	19.1
201.95781	2.6
238.04472	1.2
257.98050	1.4
258.98572	2.4
307.00705	1.5
341.10858	100.0
342.11188	4.3
372.56238	1.3
397.03888	3.1
481.53336	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.8
59.01378	93.4
61.98824	2.0
67.00364	1.5
68.62479	1.9
69.03438	2.7
69.57788	10.8
71.01377	39.7
73.02944	67.2
79.34148	1.7
83.01377	19.6
85.02949	4.5
87.00883	1.7
89.02435	12.2
93.03468	3.5
101.02441	49.7
107.43661	1.5
109.02956	3.4
110.00333	1.8
113.02449	10.9
119.03505	3.6
119.05002	2.9
125.02426	2.2
131.03493	5.1
134.03720	6.8
135.04546	3.5
136.01660	5.3
137.02420	2.0
143.03535	2.1
149.04587	2.5
161.04553	8.9
163.03983	2.9
173.04517	9.5
175.11270	26.7
191.05620	2.8
193.12320	2.4
219.10255	8.9
231.10204	2.1
293.10321	3.0
311.11539	4.8
324.99405	1.8
399.16599	31.2
433.29779	2.4
441.17621	100.0
442.17941	5.6
467.15799	2.9
485.16504	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03431	1.3
58.00589	2.5
59.01379	84.7
64.72517	1.3
69.55802	6.7
71.01379	36.7
72.99307	2.7
73.02946	70.3
76.88908	1.2
81.59885	1.1
83.01393	18.5
85.02948	3.4
86.05216	1.0
86.95401	1.1
89.02446	11.1
99.00881	1.4
101.02444	49.4
102.02804	1.4
113.02467	10.7
119.03517	4.5
125.02427	2.2
131.03534	3.9
132.24390	1.2
134.03745	2.6
135.04549	1.7
136.01689	1.9
143.03502	1.3
149.04526	2.1
155.03476	2.2
159.08188	1.5
161.04608	7.2
161.05779	1.6
171.16916	1.2
173.04543	4.9
173.09744	1.8
175.11247	27.2
176.11671	1.2
193.12392	2.9
219.10233	4.4
311.11346	1.9
399.16574	29.2
400.16849	2.4
441.17633	100.0
442.17975	7.8
448.18912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24184	1.0
53.59035	1.0
54.21579	1.1
58.45348	1.0
59.01382	34.9
61.98826	2.3
69.95949	4.5
71.01382	18.8
72.99305	2.0
73.02942	30.6
83.01387	6.7
83.05029	5.0
85.02942	2.1
87.00890	1.1
89.02454	3.4
91.05532	2.4
93.03445	3.9
93.07088	3.8
101.02441	19.9
109.02922	1.7
113.02448	4.6
119.03515	1.3
119.05038	2.3
123.08133	1.2
133.10202	6.7
134.03755	2.3
135.04457	1.5
136.01617	1.1
137.02405	2.1
144.05794	1.4
145.06583	7.8
151.03941	1.3
153.62021	1.3
157.10156	2.2
158.07411	1.8
159.08070	4.8
160.08934	54.0
161.04556	2.4
167.93007	1.1
173.04529	8.9
173.09731	9.1
175.11266	94.8
176.11638	3.6
191.05571	1.4
197.64508	1.2
219.10245	100.0
220.10567	4.4
293.10474	1.2
311.11234	2.2
336.40753	1.1
399.16486	10.5
400.16763	1.2
441.17642	48.6
442.17953	4.1
467.15527	2.1
468.43002	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	485.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	6.6
61.98844	7.4
61.99095	1.5
67.01885	1.5
71.01391	2.6
71.52375	2.1
72.99316	2.2
75.00867	31.0
78.95896	6.0
87.00877	4.7
89.02438	4.7
111.00877	76.7
135.02991	31.0
149.76872	1.4
159.96979	1.4
173.00919	6.5
195.13889	13.7
197.96231	1.5
277.21655	11.4
295.22766	100.0
296.23135	5.7
377.57831	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	486.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	21.5
59.01378	29.7
61.98828	100.0
63.42979	0.7
69.53429	1.3
69.53830	3.0
71.01373	5.0
72.99301	1.3
73.02947	3.2
80.23470	0.8
81.03448	1.0
83.01380	1.4
85.02966	3.1
87.00905	1.2
89.02460	1.0
93.03479	1.6
96.96002	4.5
99.00890	0.7
99.04517	24.8
100.04866	0.8
101.02438	9.2
109.02958	2.3
113.02479	2.4
123.04532	2.3
124.40240	0.8
125.02441	8.0
133.03011	1.0
134.03694	1.6
135.04527	2.5
137.02531	1.2
143.03474	1.1
151.04031	1.3
155.03329	0.7
161.02443	2.6
161.04561	1.7
173.04526	6.2
174.04953	2.0
179.03549	2.0
191.05670	1.3
197.04520	0.8
205.12347	1.0
209.11900	0.7
241.40628	0.8
279.14447	5.2
289.02994	0.7
292.90381	0.7
293.10272	0.9
294.10434	0.7
312.11664	1.4
321.15576	2.9
361.18567	1.0
423.18689	10.5
468.16003	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55567	0.5
59.01390	0.6
61.98819	0.8
68.70963	0.6
88.04039	52.2
103.84687	0.5
109.81246	0.5
110.64754	0.5
116.55566	0.5
116.82726	0.6
122.70391	0.5
133.43788	0.6
147.08186	2.0
149.09746	1.6
161.09729	1.5
163.11293	3.2
169.72914	0.5
177.95522	0.5
185.14786	0.5
187.11288	2.4
229.01529	0.8
280.14771	1.2
307.17136	0.8
309.22171	1.8
337.21716	100.0
338.22009	7.4
382.27209	0.9
486.26852	19.7
487.27295	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01381	2.6
61.98824	1.3
68.99561	0.7
69.03455	0.6
71.01382	0.6
71.05010	0.8
71.56929	0.3
72.04530	0.5
72.99300	0.7
73.02959	0.3
73.27534	0.4
81.03460	0.8
82.03018	0.5
83.05009	0.7
84.04549	5.3
85.02940	0.5
87.00866	0.3
95.05061	0.4
97.06600	1.0
98.20722	0.5
101.02422	0.5
102.05612	15.1
105.01939	0.8
112.98602	0.7
114.09252	1.2
123.04514	2.6
123.08176	0.4
128.03534	31.0
130.62234	0.3
133.03062	0.4
135.04506	1.0
137.02350	0.6
139.11287	1.8
146.04613	2.3
149.02432	0.5
151.04007	1.0
153.12820	0.8
156.13939	0.6
161.02425	1.0
166.82545	0.4
167.03490	0.6
169.12357	0.9
173.04483	0.6
178.02664	0.5
179.03528	0.6
185.11829	1.5
198.18648	1.8
211.02501	0.6
226.18179	1.0
240.19632	0.8
268.22849	0.6
280.22513	0.4
292.22824	0.5
293.10419	0.4
309.24362	1.5
311.22372	2.5
325.20120	0.6
327.25305	2.8
334.27481	0.5
339.25354	2.6
352.28534	1.6
357.26434	42.0
358.26898	2.2
396.27200	0.5
412.30792	0.7
442.31671	8.7
443.32065	0.8
468.29688	4.4
486.30725	100.0
487.25244	0.9
487.31110	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	487.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01372	1.3
62.11010	1.3
69.52843	7.8
71.01380	12.9
87.00887	1.2
99.00878	8.2
101.01806	2.3
101.02448	43.7
102.05581	1.5
128.03503	1.5
144.02972	1.4
145.01427	100.0
145.06209	10.2
146.01753	2.3
146.04582	5.3
173.04517	2.8
191.05569	4.3
211.53964	1.3
214.32333	1.3
216.56248	1.4
310.68079	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80246	2.1
57.03439	8.9
58.08563	2.4
58.95631	2.0
59.01381	81.7
61.98825	12.2
68.66892	2.4
70.46554	4.7
70.46922	4.6
71.01382	26.4
73.02947	52.4
75.41957	2.3
83.01382	10.7
85.02943	2.3
89.02425	5.1
89.37386	2.1
93.82500	2.0
98.20041	2.3
98.60844	2.0
99.04517	7.8
101.02440	31.6
104.48892	2.0
113.02429	4.5
121.01766	2.0
125.02419	2.9
131.03470	3.2
143.08655	18.8
159.11824	17.6
160.78905	2.0
161.02461	3.7
161.04543	7.8
175.11295	2.3
176.71704	2.0
177.12819	4.9
179.03561	2.4
181.08704	2.9
201.97676	2.4
205.12294	3.9
221.11806	59.2
237.25902	1.9
334.41037	2.2
427.19873	3.1
443.19196	100.0
444.19562	7.6
496.36905	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	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
58.00611	1.4
59.01377	100.0
69.44160	10.6
71.01382	43.1
72.99320	2.0
73.02943	78.6
76.01463	1.3
76.08480	1.7
83.01389	18.4
85.02952	5.1
87.00903	1.6
87.47927	1.3
89.02441	9.2
99.00820	1.4
101.02440	60.9
102.35056	1.6
113.02435	12.3
119.03481	4.9
125.02460	1.9
131.03539	3.8
143.03450	4.3
149.04536	5.4
155.03496	1.6
161.04568	15.4
173.04546	1.5
177.01923	2.4
203.05341	1.5
203.10820	1.7
221.06630	2.2
221.11778	9.8
401.17911	7.1
443.19211	41.2
444.19559	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.66942	1.5
67.91947	1.5
69.03462	2.1
69.73274	5.5
69.73708	2.3
71.01380	36.9
72.99311	2.4
73.02943	86.2
83.01384	21.8
83.16413	1.4
85.02946	4.5
89.02433	9.9
98.19919	2.2
101.02438	69.0
110.22450	1.6
113.02463	14.0
119.03485	4.6
131.03522	4.8
143.03484	4.2
149.04509	5.8
161.04549	13.7
178.77342	1.5
196.01784	1.4
221.11800	8.5
401.18073	9.8
443.19128	49.4
444.19531	3.7
445.46921	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.7
57.03442	3.0
59.01378	100.0
60.56498	1.4
61.67177	1.4
63.26352	1.4
70.62797	2.3
70.63123	1.9
71.01380	17.2
73.02950	22.4
79.95739	1.4
80.96504	2.9
83.01382	4.4
85.02953	4.9
89.02447	4.5
95.01414	2.0
101.02442	18.8
108.73361	1.3
113.02458	6.4
113.57996	1.5
123.08158	1.3
126.06555	1.3
132.03700	1.4
135.08168	1.7
143.03474	1.6
143.08644	2.4
159.11760	6.2
161.04535	5.3
171.10211	3.7
173.45927	1.3
175.11252	1.7
176.68448	1.5
177.09109	3.8
203.10741	8.3
207.85378	1.5
221.11806	19.6
225.00742	1.7
239.12975	1.9
382.47141	1.5
383.17020	4.0
401.18234	7.2
443.19174	47.4
487.14917	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	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88037	1.1
55.01863	1.0
57.03431	3.1
59.01379	100.0
61.98827	2.3
69.03465	1.2
69.69998	3.2
69.70403	2.7
71.01382	26.2
72.51812	0.9
72.99311	2.6
73.02557	1.8
73.02946	23.1
83.01382	7.2
85.02948	6.3
89.02439	11.2
93.03476	1.9
95.01373	2.4
99.00825	1.5
99.04521	3.2
101.01804	2.0
101.02447	27.8
113.02452	10.9
119.03519	5.3
119.04974	1.7
121.02968	2.1
123.04511	2.7
125.02420	2.6
131.03508	1.2
133.02946	2.7
134.03796	1.3
135.04544	5.2
137.09831	1.3
139.04010	10.0
143.03493	3.5
149.04555	4.0
153.01932	1.6
159.11740	1.9
161.02496	5.9
161.04512	8.6
167.03450	3.5
173.04445	1.5
177.12770	1.3
179.03387	2.2
179.05644	2.6
205.12366	2.4
221.06577	1.2
221.11917	5.3
223.13390	1.8
251.65895	1.1
309.60855	1.2
311.07764	5.0
359.07880	1.2
401.17935	4.0
433.11395	5.7
443.19144	40.7
444.19687	2.4
484.60507	1.2
487.08389	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	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76986	0.6
59.01378	100.0
60.01718	0.7
69.25424	4.2
69.46448	0.4
71.01382	7.9
73.02944	7.1
82.76591	0.5
83.01406	1.3
85.02955	3.1
87.00902	0.7
89.02462	1.9
97.02924	0.7
98.20099	2.1
99.00871	0.7
101.02447	5.9
109.02964	0.5
111.04533	0.7
113.02438	5.1
119.03545	0.6
123.04540	3.0
123.08199	1.0
125.02400	0.6
125.06069	0.7
127.07680	0.7
129.05606	0.6
136.05330	0.7
138.06866	3.0
139.07677	1.8
143.03435	0.6
144.39157	0.6
149.04567	0.5
151.07664	3.7
152.08430	8.2
153.05632	3.0
153.09207	21.9
154.09613	0.6
161.04520	2.7
173.04607	0.6
203.05589	0.7
205.12311	9.4
206.12822	0.9
219.08176	0.9
223.13416	5.0
235.72769	0.5
237.09268	1.3
267.33783	0.5
281.08261	3.3
294.11444	0.5
312.23474	0.6
314.40744	0.5
367.17587	29.5
368.17978	1.2
385.18631	4.5
427.19717	14.3
428.20432	1.1
487.18042	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	487.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
56.17575	1.4
57.03436	1.6
59.01380	55.7
61.98826	3.3
69.03454	1.7
71.01376	34.0
71.52438	3.4
72.99309	9.4
73.02945	27.9
81.03444	10.5
82.95391	1.4
83.01373	7.6
85.02941	5.2
87.00854	1.8
89.02436	6.5
93.03441	2.6
93.43406	1.3
95.01386	2.9
95.05032	1.7
96.96016	3.5
97.06625	1.5
97.61160	1.5
99.00932	2.4
99.47416	1.7
101.02438	23.0
102.05617	7.6
108.02143	1.6
112.98566	3.1
113.02480	9.5
113.78690	1.7
116.92865	5.0
119.03529	3.2
119.05032	5.5
121.02981	3.9
123.04523	21.9
128.03537	7.4
133.02914	2.0
134.03728	8.1
135.04498	6.3
137.02432	1.8
145.33781	1.5
146.04532	2.2
149.02396	3.6
150.03180	2.0
151.04024	2.3
161.02393	4.0
163.03989	2.0
167.03464	4.3
173.04573	2.5
177.01907	1.8
178.02682	6.5
179.03444	2.5
181.05028	1.9
181.06566	2.7
209.11833	1.6
211.02466	6.5
221.15411	13.4
231.34839	1.4
239.16470	2.1
275.09250	2.6
293.10291	6.8
295.82425	1.3
325.20145	1.6
334.47906	1.7
347.81244	1.3
358.26700	4.2
383.20428	7.0
401.21768	22.4
402.22043	2.1
421.57324	1.7
443.22830	100.0
444.23166	6.3
469.30740	1.6
487.25351	4.9
487.31613	15.8
488.31992	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	487.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.7
58.00592	0.6
59.01379	100.0
60.01731	0.6
61.98841	0.9
68.99838	0.4
69.03451	0.4
69.57275	2.3
71.01379	10.7
72.99310	3.4
73.02946	14.1
75.00849	0.9
81.03453	0.9
83.01402	3.8
85.02948	2.6
87.00895	1.8
89.02448	4.3
89.18365	0.4
93.03490	0.5
95.01443	0.4
96.96014	0.8
99.00889	0.7
99.04579	0.8
101.02441	14.6
113.02452	3.9
119.03485	2.6
121.02996	0.8
123.04540	1.8
125.02460	1.2
127.00378	1.1
131.03496	1.1
133.02962	0.8
135.04532	2.2
137.02550	0.5
143.03503	1.6
149.04565	2.1
151.04013	1.3
161.02461	4.2
161.04535	4.7
161.05812	0.7
161.09738	1.4
169.95512	0.4
173.04570	0.9
175.07593	0.5
176.08412	0.9
179.03519	1.2
179.05681	0.7
187.07681	3.4
187.11258	6.0
189.09219	0.6
190.10004	0.8
197.04538	1.0
202.06316	0.6
203.05685	0.6
203.10861	0.6
204.11542	1.1
205.12331	8.9
206.12680	0.8
215.10628	0.9
219.10388	0.5
221.06685	0.8
231.10297	1.6
233.11801	5.0
259.13275	2.2
275.09402	1.3
277.14407	2.9
293.10236	3.6
320.39587	0.5
349.16592	0.9
359.07651	0.7
367.17371	0.5
427.19586	2.0
443.19153	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	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02377	2.6
57.03442	5.9
59.01379	71.3
61.98829	29.8
67.01890	4.6
68.99567	60.3
69.03484	2.9
69.36079	13.9
69.36482	5.4
71.01392	27.6
72.99297	18.0
73.02945	11.0
75.00877	2.6
81.03459	32.6
82.51340	2.3
83.01371	6.3
85.02979	12.4
87.00865	5.7
88.63737	2.3
88.98814	15.0
89.02452	9.7
93.03419	2.8
95.01407	4.9
95.05046	2.7
96.95991	7.9
97.02995	4.3
98.19920	5.5
101.02435	21.0
102.05597	11.9
105.01938	5.4
109.02936	3.1
112.98569	78.1
113.02428	9.0
121.02945	5.5
123.04522	64.0
125.09693	2.8
128.03531	21.1
133.02954	5.8
134.03783	14.4
135.04527	14.1
137.02438	7.4
139.04015	2.6
149.02414	9.3
149.06235	2.6
150.03232	3.5
151.03970	9.1
158.09683	2.7
161.02431	7.8
161.04552	3.9
162.02917	2.7
167.03481	13.0
173.04562	5.0
178.02716	14.1
179.03470	9.7
181.12367	5.5
193.01378	3.1
211.02499	18.6
219.02969	2.4
220.37022	2.8
221.15451	6.7
222.07695	2.3
235.04044	3.6
239.16486	10.2
261.70786	2.6
265.05121	2.7
275.09207	4.2
293.10211	15.8
307.02524	3.8
307.19196	3.5
325.20221	8.2
353.02765	3.1
357.26678	4.1
358.26871	20.1
373.25848	10.1
383.20782	16.1
397.21838	3.5
401.21805	43.3
443.22864	100.0
443.32117	6.4
444.23248	7.7
469.29944	5.0
487.25220	30.0
487.31091	73.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02909	0.7
59.01366	2.8
59.27415	0.8
59.31071	0.9
62.02755	1.0
70.71423	1.8
71.01375	2.1
72.99328	0.9
73.02925	1.1
96.96011	1.1
97.06562	1.4
98.10442	0.9
110.91848	0.7
125.09702	2.8
127.11258	3.9
130.04245	3.4
133.02934	1.1
134.03786	1.0
135.04486	2.8
141.12889	1.0
146.03709	4.2
148.91739	0.9
149.02405	1.3
155.10760	1.9
158.03728	7.5
159.04497	15.2
160.05289	3.9
161.02371	4.0
162.83922	2.4
163.11255	1.1
169.12357	1.0
171.10268	12.5
172.05305	4.7
173.04549	3.3
173.06018	14.0
174.06848	17.6
175.07594	2.1
176.04631	0.8
179.03488	3.0
179.10638	1.3
185.06041	2.0
186.06819	2.0
187.03970	1.2
197.06055	3.3
197.11807	4.7
199.09744	1.3
201.11301	4.2
209.11891	2.6
210.07144	0.9
211.07634	2.3
212.04741	2.7
213.05525	1.1
213.09290	1.4
213.11299	10.8
215.12868	70.0
216.13222	2.2
225.09280	1.2
225.11322	1.5
227.10764	100.0
228.11154	5.7
229.12314	10.9
231.06563	1.8
241.12280	3.4
243.13940	7.6
267.06610	1.1
271.13361	12.5
282.12561	2.0
311.05695	1.2
323.12778	0.9
341.14148	1.0
355.15588	1.0
359.15045	12.2
373.16388	2.7
374.17245	9.1
407.22296	4.9
425.23337	14.8
443.24347	72.9
444.24680	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	489.1035
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
57.03452	0.3
58.60936	0.1
59.01374	2.5
60.82190	0.1
62.70872	0.1
63.02396	0.5
65.00335	0.4
70.74996	0.3
70.75310	0.2
75.99505	0.1
79.01850	0.1
83.01387	0.5
83.65772	0.1
91.01892	0.4
93.03441	1.2
107.01392	2.1
108.02164	0.4
109.02954	0.5
117.03480	0.4
117.06979	0.1
119.01354	0.2
120.02171	0.2
124.80569	0.1
125.02421	0.2
131.05054	0.2
132.02159	1.5
133.02936	0.2
135.00877	1.8
137.02405	0.2
141.07101	0.2
143.05025	0.8
145.02992	0.4
145.06551	0.2
151.00359	1.6
153.01968	0.2
154.04245	0.2
155.05025	0.2
156.05739	0.2
157.06546	0.6
158.03763	0.3
159.04482	1.1
161.02493	0.2
163.00345	2.1
164.01117	0.5
165.01967	0.4
167.05022	0.6
169.02788	0.2
169.06581	0.6
171.04468	0.6
173.06042	0.3
177.01906	0.4
182.03673	0.2
183.04504	0.9
183.10298	0.3
184.05174	0.2
185.02501	0.6
185.06082	1.7
187.03995	2.8
189.05553	0.7
190.99968	0.3
195.04504	0.8
196.05299	0.4
197.06082	0.8
198.03204	0.3
199.03970	1.1
200.04793	0.4
201.05524	0.5
209.00740	0.2
210.03162	0.2
211.03976	2.9
211.05875	0.2
212.04704	0.3
213.01933	0.3
213.05540	1.7
214.02473	0.3
215.03474	0.2
217.04964	0.2
223.04018	0.4
226.02740	0.3
227.03482	31.1
228.03874	1.9
229.05023	9.1
230.05338	0.4
239.03476	1.8
240.04257	0.8
241.05052	1.3
243.02980	0.4
253.67894	0.2
255.02968	66.0
256.03531	5.5
257.04538	5.7
258.04947	0.2
267.02963	0.8
283.02515	0.8
284.03241	85.2
285.03992	100.0
286.01138	0.3
286.04346	5.2
327.05118	0.7
354.67938	0.1
401.10635	0.3
429.07782	0.2
445.20309	0.1
447.09030	0.3
489.10342	47.4
490.10632	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1038
Annotation	6''-O-Acetylastragalin
Peak:m/z	Relative Intensity
57.03436	0.6
59.01378	6.4
61.98826	0.7
71.28752	0.4
71.29111	0.6
73.02958	0.7
83.01405	0.5
85.02959	0.4
93.03463	0.6
101.02444	0.6
107.01387	1.0
113.02430	0.6
116.92843	0.5
120.92702	0.4
125.02398	0.7
132.02180	0.6
133.03011	0.5
135.00844	0.6
135.04488	0.6
139.11319	0.6
145.02962	0.4
151.00363	2.0
154.04219	0.3
159.04486	0.5
163.00307	0.6
165.01883	0.4
173.04610	0.3
175.03909	0.4
179.03455	0.4
183.04451	1.2
183.10245	0.4
185.06075	0.6
187.03923	0.5
199.51730	0.3
207.13773	0.5
211.03970	1.8
213.05696	0.4
227.03481	74.7
228.03889	3.1
229.04994	2.2
239.03459	0.9
241.05025	0.5
255.02969	90.1
256.03595	10.4
257.04492	0.9
283.02356	0.5
284.03247	64.6
285.03979	27.2
286.04355	1.1
307.08258	0.4
327.04947	1.0
403.19412	0.6
445.20715	1.3
489.10349	100.0
490.10641	8.1
490.30350	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	2.3
59.01379	16.8
70.78513	1.8
70.78846	1.3
71.01381	94.6
72.99310	27.2
73.02924	1.1
74.96159	1.0
80.39475	1.0
85.02969	2.6
87.00874	30.7
88.98772	1.1
89.02442	11.0
92.96001	8.4
94.09418	1.0
101.02435	6.2
101.06082	1.4
113.02456	3.8
115.00370	25.6
119.03512	3.7
123.04502	1.1
129.01944	8.8
130.02278	1.0
131.71178	0.9
133.01440	1.3
143.03471	1.6
146.04610	1.9
146.93434	17.6
146.94585	1.4
147.02994	100.0
147.06625	22.2
148.03334	1.4
170.97803	2.7
179.05635	6.2
325.42108	1.0
341.10870	34.8
453.07367	1.8
491.75650	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.4
57.19037	1.3
59.01379	100.0
70.52143	5.4
71.01376	30.2
72.99305	2.0
73.02944	41.8
81.03477	1.9
83.01385	7.1
85.02937	8.5
87.00874	4.1
89.02454	11.4
95.01382	2.6
99.04530	1.5
101.02438	34.3
113.02448	19.9
119.03480	4.6
123.04556	1.6
123.08139	4.9
125.02444	2.4
131.03496	3.2
135.04466	1.7
143.03461	5.7
149.04517	5.4
155.03397	1.5
161.04526	11.1
175.11263	3.0
195.24718	1.6
221.06786	1.6
223.13391	3.1
235.69681	1.7
241.14407	4.2
278.03018	1.4
382.30502	1.7
385.18488	8.6
403.19412	4.2
445.20987	2.3
489.23285	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08937	1.5
57.03434	1.5
59.01377	100.0
69.03447	1.5
71.01382	33.0
71.17912	2.2
72.99294	1.5
73.02944	55.6
81.03448	3.4
83.01395	13.2
85.02965	3.9
87.00859	2.0
89.02443	6.9
95.01406	2.5
97.02941	1.6
101.02437	41.6
113.02451	16.2
119.03471	4.5
119.41279	1.3
123.04540	5.4
131.03508	4.4
143.03485	3.7
149.04539	1.9
161.04506	8.1
211.02440	1.5
223.13318	2.3
249.58453	1.4
452.85297	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94780	2.7
57.03442	5.8
59.01379	100.0
61.98822	5.5
69.03446	4.1
69.23365	23.7
70.86135	2.8
71.01385	29.1
73.02942	27.0
74.99097	7.5
83.01381	7.8
85.02943	7.9
89.02428	11.7
95.01363	2.7
96.96001	3.9
98.19860	4.7
100.87016	2.6
101.02424	27.8
113.02441	18.5
118.98075	93.9
119.03519	3.0
123.08176	3.4
143.03516	4.1
148.66843	2.8
161.04510	8.4
165.05751	3.4
175.11237	8.8
190.06400	2.6
211.13576	3.1
238.24295	2.6
265.52594	2.7
325.25534	2.7
385.18686	20.2
403.19662	4.6
429.88226	2.6
444.78076	2.8
445.20251	9.8
489.10464	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	489.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82887	0.6
54.23557	0.6
57.03445	1.2
59.01379	100.0
60.01704	0.9
61.98840	2.1
69.83611	1.5
69.84007	1.4
71.01379	13.0
73.02944	16.8
73.03358	0.8
78.95908	1.0
80.30158	0.8
80.96518	3.8
83.01387	4.5
83.05038	1.0
85.02954	3.1
87.00895	1.5
89.02446	5.1
94.98098	0.8
96.96019	1.6
97.02959	1.0
99.04534	1.0
101.02437	15.2
104.81405	0.6
113.02444	6.9
119.03535	2.1
125.02469	1.7
125.06127	0.8
131.03540	1.6
143.03546	1.1
147.08272	1.0
149.04517	1.1
151.07715	0.8
152.99637	1.2
161.04538	5.5
171.10240	5.3
187.11278	3.6
187.67375	0.7
204.11595	0.8
205.12315	9.4
219.61197	0.6
221.06670	1.1
223.13426	1.4
225.00818	1.4
225.11606	0.9
227.49646	0.8
231.01881	0.6
233.11848	2.0
259.13681	0.7
277.14539	1.2
369.19385	1.4
387.20374	1.3
399.14615	1.4
403.19846	1.3
427.19849	1.6
429.21323	1.7
445.20911	3.8
471.15421	3.5
489.16400	6.8
489.22556	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.2
59.01377	100.0
60.01714	0.9
60.02721	0.4
60.40773	0.5
61.98824	4.0
62.55704	0.4
69.24263	0.4
69.89632	0.4
70.63436	0.4
71.01389	4.9
72.72061	0.4
73.02943	3.7
78.74101	0.4
83.01402	0.6
85.02956	0.8
87.00896	0.8
89.02451	2.9
99.04547	0.9
101.02443	6.3
113.02457	3.2
119.03526	1.3
125.02522	0.8
131.03508	0.6
143.03519	1.1
144.18083	0.4
149.04524	0.8
159.52182	0.4
161.04556	2.2
179.05653	0.8
181.04944	0.5
183.10269	1.6
221.11839	0.7
222.12082	0.6
223.12738	0.6
369.19205	0.9
387.20279	1.8
429.21146	3.5
445.19748	4.1
497.13266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02197	0.3
56.90917	0.2
57.03442	1.8
59.01378	100.0
60.01707	0.8
61.98841	1.5
69.22520	2.3
71.01385	1.7
72.99336	0.6
73.02943	1.5
75.00877	1.1
76.39111	0.2
83.01390	0.3
85.02962	0.8
87.00899	0.4
89.02448	0.7
91.01878	0.3
92.56568	0.2
93.03439	0.5
95.41856	0.3
96.96001	0.5
99.04536	1.5
101.02440	1.8
104.02659	0.3
105.03454	0.3
107.01392	0.4
109.02950	0.3
113.02443	0.7
114.05547	0.3
120.27641	0.2
121.02991	0.3
123.04510	1.0
125.02437	1.1
133.02945	0.4
134.14490	0.3
135.04503	0.7
137.02446	0.3
151.00377	0.7
161.02437	0.7
161.04536	0.8
167.03497	1.0
173.04576	0.4
176.01083	0.5
177.01923	12.1
178.02307	0.4
179.05757	0.3
183.10225	1.5
185.02084	0.3
207.10234	0.3
211.03981	0.6
227.03479	6.6
229.05040	0.9
232.44966	0.3
240.07399	0.7
240.57625	0.3
241.05016	0.5
255.02988	13.7
256.03467	1.0
257.04556	1.1
261.05481	0.4
283.02567	0.3
284.03241	24.7
285.03964	9.1
286.04401	0.4
286.68530	0.3
339.07120	1.1
369.18661	0.3
387.20258	1.0
401.10242	0.3
413.73065	0.3
429.21332	1.3
445.20569	0.5
447.09073	0.4
454.87567	0.3
489.10312	17.9
490.10593	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.3
58.00616	0.4
59.01378	100.0
60.01720	0.7
61.98830	1.0
69.17644	3.4
71.01378	2.4
72.99297	0.6
73.02942	3.0
75.00928	0.4
83.01411	1.0
85.02985	0.9
85.55536	0.3
87.00923	0.3
89.02467	1.2
93.03516	0.3
96.95994	0.7
99.04525	1.9
101.02441	3.9
113.02467	1.3
114.43401	0.3
116.92920	0.7
119.03510	0.8
123.04531	0.4
125.02470	1.0
125.37338	0.3
133.02977	0.4
135.04581	0.5
143.03520	0.4
161.02480	0.7
161.04536	1.7
173.04482	0.5
179.05664	0.4
183.10257	1.6
187.07655	0.4
187.11250	4.2
227.03435	0.4
243.53114	0.4
255.03134	1.1
284.03378	1.2
285.04150	1.1
323.09897	0.9
324.10364	0.7
345.15747	1.3
363.00345	0.4
387.16684	0.8
489.10388	0.6
489.20865	0.4
489.27405	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22020	0.2
57.03479	0.4
59.01378	100.0
60.01700	0.5
70.56931	0.6
70.57277	0.3
71.01375	3.7
73.02950	2.6
79.95736	0.4
80.96526	1.2
83.01421	0.3
85.02966	1.1
89.02456	1.3
89.39523	0.3
98.20600	0.3
101.02446	3.1
108.17998	0.3
113.02458	1.5
113.24442	0.3
119.03535	0.4
142.83485	0.3
144.42612	0.3
156.53539	0.3
161.04562	1.1
163.11409	0.2
179.05615	0.4
179.14444	0.7
203.05690	0.3
205.68037	0.2
207.14012	0.4
209.14838	0.3
223.13292	0.5
225.00804	0.4
231.98868	0.3
359.20474	1.9
429.21277	0.5
445.20694	5.0
445.25967	0.4
462.77255	0.3
471.15561	1.1
489.16672	2.4
489.23318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.6
59.01122	1.5
59.01380	14.8
59.81879	1.7
61.98817	12.0
64.70831	2.1
67.01487	2.2
69.94639	7.2
71.01377	6.1
71.04961	2.0
72.99302	2.3
73.02934	2.6
76.31709	2.0
78.95905	38.7
81.41139	1.8
83.04988	1.9
96.95993	3.2
125.09690	4.2
127.11293	4.5
130.04192	2.8
133.02914	4.7
134.03772	2.7
135.04500	5.9
140.01157	6.7
147.04550	2.6
149.02490	2.1
152.99590	5.0
155.10715	3.4
158.03706	5.3
159.04498	6.7
160.05247	4.7
161.02426	25.5
169.12488	2.6
171.00583	3.1
171.10257	15.6
172.05272	14.8
173.06029	6.4
174.06799	2.4
179.03477	3.7
179.10727	3.1
187.03979	5.6
187.07648	2.9
195.13843	7.2
196.03728	10.3
197.11813	5.9
201.11255	9.6
201.12946	2.1
204.04256	5.2
213.11272	12.6
215.12862	65.5
215.14951	3.1
216.11403	2.4
216.13335	2.4
223.13403	5.2
229.12321	100.0
230.12628	5.4
231.13887	24.5
243.14005	10.3
245.15462	8.2
275.20004	2.9
285.20660	2.7
293.21225	51.2
325.34665	2.0
330.01663	2.1
409.12662	2.5
409.23706	5.5
427.24884	7.3
445.25894	94.5
446.26251	10.4
489.25455	8.6
490.25754	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10502	0.8
57.03448	23.5
59.01379	38.9
60.01681	1.4
61.98829	100.0
69.03449	0.6
70.21471	2.6
71.01381	7.8
73.02951	5.1
74.32754	0.6
83.01389	1.7
85.02950	1.0
87.00915	0.7
88.98826	0.7
89.02449	4.2
93.03472	1.2
96.96019	0.9
99.04516	21.3
101.02441	13.5
113.02427	4.2
119.03510	1.5
123.04549	2.2
125.02439	10.2
131.03456	0.9
135.04520	2.8
137.02519	0.9
141.05550	1.3
143.03497	3.3
149.02541	0.7
149.04596	1.5
161.04541	3.8
163.04071	0.9
173.04568	1.1
175.41861	0.8
179.03577	0.8
179.05568	0.8
183.10229	1.5
187.06790	0.7
227.03545	1.1
228.03899	1.5
255.03040	1.9
256.03421	3.8
284.03366	2.2
285.03830	8.6
286.00232	0.6
286.01331	0.9
286.04312	6.3
427.16089	10.9
431.23251	1.0
452.63745	0.8
469.02576	0.6
490.10657	4.6
490.30948	1.3
491.21365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23386	0.8
59.01397	4.4
61.98820	7.6
69.19341	1.4
69.19740	7.3
71.04996	3.3
75.09895	0.8
75.11427	0.9
78.95901	72.1
85.20546	0.9
96.96960	4.7
98.20718	1.8
127.38412	1.0
131.04648	0.9
133.02921	1.9
135.04552	2.6
140.01178	5.4
149.02440	1.5
152.99567	13.7
161.02449	9.1
161.41138	0.9
171.00626	11.4
179.03459	2.4
188.04527	1.2
196.03763	2.5
209.15408	1.2
214.04813	8.4
221.15501	1.5
223.16992	4.3
229.23331	1.0
231.21065	1.8
235.17006	24.6
236.17395	1.4
272.13525	1.0
273.14838	1.9
274.15259	3.7
275.20148	25.6
276.20560	2.2
293.21210	100.0
294.21542	6.5
306.14041	0.9
353.07715	1.1
409.12796	1.4
410.24121	3.7
416.22076	1.5
428.25653	1.3
446.26349	6.6
490.25705	69.2
491.25763	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	490.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.0
59.01379	2.1
59.24678	0.4
61.98827	3.1
71.27398	0.4
71.52599	0.5
72.99306	0.6
78.95901	23.7
84.76524	0.4
96.96959	0.5
97.06560	0.5
100.27117	0.5
101.53271	0.4
109.06620	0.6
113.09723	17.2
122.00125	1.2
122.98541	0.5
133.02939	1.3
135.04507	1.6
135.11812	0.7
139.11267	1.7
140.01178	8.0
146.42282	0.4
149.09726	0.5
152.99579	2.4
153.09132	0.4
161.02472	4.7
167.10788	2.7
171.10249	0.8
177.12865	1.4
179.03455	1.0
179.10751	2.4
183.13919	2.0
195.13873	3.0
196.03778	13.4
214.04869	3.7
217.13078	0.4
223.13277	0.8
249.22223	2.4
267.06577	0.6
275.20099	1.5
293.21210	100.0
294.21539	5.0
409.12701	0.7
446.25861	0.7
486.53122	0.4
490.25708	57.5
491.25952	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	490.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91941	0.3
56.72283	0.3
57.03452	3.2
59.01387	2.5
59.20917	0.3
61.93532	0.3
61.98826	2.3
69.85017	1.2
69.85416	0.7
71.01382	0.4
71.05003	0.4
71.92438	0.3
72.99308	0.5
78.95900	37.6
83.05050	0.3
96.96979	2.3
97.06596	0.4
98.20553	0.5
109.02902	0.4
109.06573	0.6
111.49982	0.3
113.09724	12.9
121.03007	0.4
122.00136	0.5
133.02937	1.2
135.04527	1.2
135.11842	0.4
136.04933	0.3
139.11275	1.1
140.01178	4.2
149.02402	0.7
149.09694	0.5
152.99577	5.8
161.02429	4.7
162.02791	0.7
167.10756	1.8
171.00623	4.8
171.10297	0.6
177.12834	1.2
179.03459	1.2
179.10773	1.5
183.13887	1.1
195.13850	2.6
196.03802	4.5
211.13316	0.4
214.04858	5.6
223.13321	0.6
223.16985	0.6
231.21176	0.4
235.16982	3.4
249.22165	2.0
267.06635	0.4
275.20160	4.1
276.20575	0.5
293.21210	100.0
294.21536	5.4
315.92850	0.3
409.13028	0.5
416.22021	0.4
490.25720	46.9
491.26044	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	490.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98838	1.2
64.13362	0.4
69.03432	0.4
70.62108	0.5
70.62457	1.0
71.01393	0.6
78.95901	21.7
84.00216	0.4
96.96973	1.2
109.02950	0.7
111.08193	0.6
113.09721	0.5
122.74937	0.4
123.04547	0.4
127.11302	0.4
133.02930	1.1
135.04538	2.0
140.01198	3.9
149.02435	0.4
152.99582	3.7
161.02461	4.0
162.02728	0.4
167.10715	0.4
171.00655	3.3
179.03477	2.4
179.14391	1.1
179.26804	0.4
183.10353	0.6
195.13898	8.2
196.03758	2.2
196.14626	0.5
198.26427	0.4
205.15993	0.6
209.11903	0.4
214.04852	5.7
223.13387	7.5
223.30257	0.4
228.13655	1.0
231.21146	0.5
256.13190	1.4
265.21655	0.5
267.06573	1.0
275.20145	3.5
284.13779	0.5
293.21213	100.0
294.21481	4.0
302.14941	0.5
311.05429	0.6
392.18405	1.3
446.26361	0.5
490.25729	48.9
491.25769	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	491.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
70.26417	0.3
70.26761	1.2
98.19966	0.3
107.05020	1.0
109.02957	3.0
121.02960	1.0
133.02969	5.0
134.03735	2.1
135.04523	79.3
136.04866	1.5
144.04002	0.3
145.02951	0.7
149.02422	3.4
150.03207	1.6
161.02441	15.7
162.02840	0.4
173.02435	0.9
174.03229	0.8
175.03850	0.3
175.77351	0.3
179.03499	100.0
180.03889	2.7
193.06512	0.4
197.06160	0.5
201.01917	0.6
208.36919	0.3
211.07613	0.6
222.06844	0.5
237.05646	0.6
238.06363	0.5
239.07155	1.4
249.05554	0.7
250.06325	1.2
255.06573	0.4
266.05914	0.7
267.06607	23.9
268.06985	1.5
283.06091	3.0
283.20950	0.3
311.05597	19.9
312.05939	1.1
341.06580	0.9
376.37167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11362	0.4
54.54975	0.3
55.33488	0.4
56.11843	0.3
59.01370	0.6
64.63824	0.4
70.26633	0.7
89.97802	0.3
95.01329	0.4
107.05031	0.8
109.02943	2.5
117.03439	0.5
120.96996	0.4
121.02943	0.9
133.02950	6.2
134.03746	1.5
135.04521	73.8
136.04831	1.7
145.02924	0.6
146.52536	0.3
149.02454	4.6
150.03217	1.5
160.82182	0.3
161.02434	23.1
162.02733	0.5
163.84010	0.3
174.03195	0.7
175.00354	0.4
179.03490	100.0
180.03790	2.4
207.42470	0.4
211.07602	0.4
238.06305	0.5
239.07268	0.5
250.06210	0.6
266.05798	0.4
267.06610	14.2
268.07028	0.5
283.06223	1.2
297.07678	0.4
306.63947	0.4
311.05597	11.3
312.05936	0.7
341.06808	2.2
431.61316	0.4
491.27118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32300	0.2
55.49761	0.1
59.01367	0.7
67.21579	0.1
69.23125	1.3
71.01386	0.2
73.03851	0.2
82.25974	0.2
90.19035	0.2
91.05511	0.3
93.03448	0.8
98.20610	0.3
107.05029	0.7
109.02941	2.3
117.03444	0.3
121.02972	1.7
132.02205	0.5
133.02950	6.6
134.03745	1.9
135.04517	74.2
136.04840	1.7
137.02454	1.3
145.02937	0.8
149.02422	4.2
150.03207	1.5
159.04453	0.2
160.01572	0.2
161.02429	25.2
162.02769	0.4
169.57849	0.2
173.02458	0.4
174.03227	0.4
175.03853	0.2
179.03484	100.0
180.03818	2.6
196.52605	0.2
197.05925	0.2
201.01901	0.4
211.07632	0.6
211.94087	0.2
221.06114	0.2
222.06831	0.2
237.05585	0.2
238.06281	0.2
239.07083	0.8
249.05565	0.5
250.06319	0.7
255.06593	0.2
265.05093	0.2
266.05865	0.6
267.06589	15.0
268.07059	0.7
283.06061	1.4
297.07629	0.7
311.05573	12.6
312.06000	0.8
341.06583	2.4
371.09448	0.2
491.11752	0.5
492.13412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01373	8.1
60.99008	1.1
60.99303	15.9
69.46198	3.8
71.01390	2.7
73.02940	2.4
79.99342	0.5
85.02951	0.7
87.00876	2.2
88.98804	100.0
89.02452	1.4
89.99143	1.4
97.59823	0.6
99.04501	1.1
101.02440	2.5
113.02507	0.8
120.99592	0.9
123.04524	15.2
135.04506	0.6
148.90971	0.6
153.05577	35.3
154.05936	1.2
158.90054	0.6
161.04384	0.6
167.00311	0.6
170.47879	0.5
242.95201	1.0
357.11884	7.0
387.20349	1.5
491.13904	1.0
510.86490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.0
59.01377	11.0
60.01714	0.3
61.98828	4.8
69.78210	0.5
69.78607	0.8
71.01390	1.4
72.99318	0.3
73.02951	0.7
74.99094	0.4
77.38659	0.2
83.01369	0.3
83.05016	0.3
84.48541	0.3
85.02956	0.4
88.98772	0.4
89.02448	0.7
89.03986	0.3
90.88499	0.2
91.05527	0.3
91.72180	0.3
93.03481	0.5
96.96004	5.0
98.20323	0.7
99.04512	1.6
99.92550	0.3
101.02437	1.8
107.05031	0.8
108.02164	0.3
111.00861	0.3
113.02451	0.9
116.92844	0.5
117.03463	0.2
119.05060	0.4
123.04553	0.7
125.02459	0.9
128.03571	0.3
133.02991	0.3
134.03738	3.0
135.04521	84.4
135.98376	0.6
136.04855	2.2
139.11238	0.2
143.31047	0.3
152.01144	0.6
159.04486	0.3
161.02425	0.7
161.04546	0.6
163.03929	0.4
164.04312	0.3
167.03465	1.3
168.74550	0.2
173.04530	0.4
179.03491	100.0
180.03868	2.8
181.05064	0.3
185.08264	0.3
191.05289	0.2
193.05063	0.3
209.11824	4.9
211.72701	0.2
225.11472	0.2
227.12883	0.3
238.73235	0.2
243.12350	0.9
282.13885	0.3
287.15012	0.5
311.07800	1.0
318.85355	0.3
329.15982	0.3
342.30066	0.2
347.16998	1.0
371.20605	0.7
491.11679	0.9
491.21979	0.6
514.81696	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.5
57.03448	0.8
59.01379	11.9
60.99305	3.3
61.98819	0.6
65.00330	1.5
67.01888	1.2
68.99822	0.5
70.30345	1.4
70.30695	0.5
71.01383	9.8
72.99300	0.8
73.02953	1.7
75.00877	0.6
81.03439	0.7
83.01397	2.1
85.02940	2.8
87.00878	7.0
88.59472	0.4
88.98804	24.7
89.02445	6.6
91.01890	6.9
94.98132	0.7
95.01376	2.0
96.96022	1.4
97.02966	0.6
99.00875	0.7
101.02441	6.0
107.01379	1.7
108.02180	6.9
109.02955	2.1
109.71848	0.4
111.00885	1.8
113.02457	5.8
119.03461	0.9
121.02986	0.6
123.00930	2.8
123.04521	31.2
124.01631	1.2
124.04830	0.7
125.02449	1.7
139.00435	0.5
141.01923	0.7
143.03458	0.7
150.03201	0.7
151.00343	5.0
152.01143	11.7
153.01915	1.8
153.05586	4.9
161.04538	1.6
165.01921	0.6
166.02724	4.4
167.03488	100.0
168.03827	2.7
181.05089	5.1
194.02185	3.9
195.02917	0.9
209.04539	30.3
210.04823	0.8
236.28551	0.4
239.05606	5.1
269.06683	12.6
270.06998	0.9
296.05328	1.3
311.07791	6.7
323.09738	1.7
329.08780	2.0
343.00888	0.4
357.11908	0.7
387.20282	1.6
405.21524	0.7
447.22195	0.5
491.14032	43.7
492.14252	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08161	0.5
59.01376	4.3
71.01376	4.7
71.07315	1.1
73.02956	4.6
75.00868	3.3
87.00861	1.3
89.02444	24.0
103.04006	2.1
105.69160	0.5
130.99861	7.5
131.03496	5.3
149.04553	100.0
150.04881	1.9
160.16348	0.5
187.63803	0.5
228.34225	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13972	0.8
51.57862	0.8
54.81448	0.8
57.03438	3.0
59.01378	35.4
61.98826	2.1
69.17812	6.6
71.01376	2.4
72.99303	1.1
73.02948	3.1
83.01383	1.1
83.05016	1.1
85.02983	1.0
89.02466	0.8
93.03460	2.3
96.96016	6.7
96.96940	1.7
99.04536	1.8
101.02448	2.1
109.02965	0.9
113.02452	2.0
119.04974	1.1
123.04498	1.2
124.71341	0.7
125.02456	0.9
130.08479	1.0
135.04512	3.6
137.02409	1.6
139.11302	18.7
161.02336	1.8
163.03979	1.4
164.71227	0.8
165.09177	0.9
167.03484	1.0
173.04466	0.8
177.01878	2.8
178.02240	1.3
181.12346	10.4
183.08658	1.3
183.10246	20.5
199.13446	5.6
206.95581	0.8
209.11769	4.4
225.11365	6.8
225.14925	3.8
243.12357	100.0
244.12587	4.2
265.23196	0.8
269.14050	0.8
285.13419	2.6
329.16089	2.5
369.02298	0.8
447.18591	8.4
491.10730	1.8
491.27963	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.5
59.01380	100.0
60.99310	10.6
61.98812	3.9
71.01382	26.8
71.51501	2.8
72.99308	5.0
73.02937	7.6
78.95924	2.0
83.01379	5.2
85.02957	11.5
86.13481	1.7
87.00873	3.5
88.98808	64.9
89.02447	17.9
95.01375	3.8
96.95982	4.0
99.00913	2.4
99.04491	2.8
99.92621	1.8
101.02451	15.3
109.02982	2.4
113.02439	22.7
119.03509	5.9
120.99617	2.6
125.02463	3.6
135.04482	5.5
137.02469	1.9
143.03514	3.4
149.04521	3.2
161.04552	7.0
163.03947	2.2
165.01909	2.9
173.04535	2.6
179.03535	3.5
179.05487	4.7
209.11929	2.0
219.10191	4.1
243.16031	2.2
269.13846	2.8
317.07172	2.0
338.65887	2.4
339.18018	2.2
387.20276	41.0
405.21283	6.7
447.22324	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	491.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98033	2.1
57.03447	14.7
59.01378	100.0
60.01704	2.2
61.98534	1.6
61.98831	24.8
71.01382	25.5
71.52276	1.2
72.99297	2.7
73.02944	30.7
74.99073	1.8
75.00867	3.3
81.03448	2.1
82.49645	1.1
83.01379	9.0
83.05016	1.6
85.02966	6.4
87.00876	2.4
89.02442	5.4
93.03446	4.2
95.01392	1.2
95.05019	1.2
96.95998	17.4
97.02940	1.7
99.00877	1.4
99.04524	14.8
99.34061	1.0
101.02448	27.0
109.02919	1.9
113.02439	11.6
118.98066	4.1
119.03517	3.4
119.05030	3.6
120.99651	1.9
123.04491	2.3
125.02411	6.4
125.08827	2.1
125.09715	33.3
128.03554	1.5
131.03481	2.8
133.02899	1.9
134.03716	1.6
135.04535	19.3
135.98318	1.4
136.99136	1.2
137.02429	4.2
137.09674	1.1
143.03473	3.9
145.02911	1.4
149.02467	1.1
149.04546	1.7
153.01877	1.4
161.02414	3.1
161.04541	8.8
163.03976	1.3
163.11305	1.3
167.03436	1.5
167.10788	1.8
169.28127	1.2
173.04530	4.1
177.01868	6.0
178.02284	1.9
179.03546	19.3
181.05035	2.1
181.12364	1.3
185.11824	2.0
191.05612	1.4
193.05072	2.6
203.05589	1.3
207.13857	2.7
209.11815	28.5
225.11443	1.0
225.14941	19.8
227.12894	4.8
243.12305	5.4
261.01004	1.1
267.12460	1.1
269.13818	2.7
287.15005	16.5
291.12259	1.5
329.15958	4.9
345.10608	1.3
347.17038	3.2
353.08490	1.4
371.20776	1.9
387.20233	8.1
405.21420	1.6
431.22687	3.1
447.22345	16.0
455.91901	1.1
468.14124	1.0
491.11218	1.7
491.15796	1.1
491.22430	5.5
491.29010	1.5
492.24966	1.1
504.11374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05804	1.5
50.85669	1.7
57.03434	5.0
59.01379	100.0
60.01704	1.5
61.98827	2.1
69.31322	6.5
69.31755	5.8
69.40298	1.3
69.58857	1.4
71.01378	24.8
72.99316	1.7
73.02945	25.3
75.00870	1.8
83.01375	4.5
85.02927	5.8
88.98792	3.5
89.02441	12.9
98.19923	2.3
99.04532	3.7
101.02438	24.1
107.72869	1.5
113.02433	11.0
119.03487	4.9
120.99711	1.9
125.02401	1.9
131.03497	3.5
139.07600	1.6
142.29840	1.4
143.03450	1.9
149.09680	9.2
153.09184	4.9
161.04552	7.5
167.10757	15.2
179.05544	2.3
181.04994	1.6
191.99898	1.6
203.05730	1.7
225.14847	3.0
243.15950	5.4
309.17041	2.4
387.20313	12.0
388.20532	2.2
405.21338	19.8
431.19357	1.6
447.22440	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	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.69455	1.5
57.03450	40.3
58.00605	1.4
59.01381	79.5
60.49656	1.5
61.98817	6.8
62.24774	1.6
63.99751	1.4
68.82127	1.5
71.01379	33.5
71.51895	2.5
72.99312	11.1
73.02937	15.1
75.00858	1.8
79.31332	1.4
81.03458	3.7
83.01390	6.0
83.05011	2.2
85.02944	18.5
86.00075	2.0
87.00851	2.8
87.04503	1.7
88.98817	1.7
89.02432	5.0
93.03433	3.6
95.01406	2.9
96.95970	2.7
97.02964	2.2
99.00877	6.2
99.04524	9.3
101.02438	41.4
106.06618	6.8
109.02933	5.3
113.02454	14.1
116.92783	2.4
118.98079	3.7
119.03609	1.6
119.05037	16.2
120.60960	1.4
121.02980	2.7
123.04530	14.1
125.02435	5.6
129.02002	1.7
132.02252	1.8
133.02983	8.3
134.03770	1.7
135.04524	42.0
137.02406	2.1
145.02959	2.4
149.02411	5.7
150.05600	5.9
153.05569	6.8
161.02451	26.1
161.04575	5.0
162.02893	1.8
163.03990	9.3
171.10321	1.9
173.04530	4.9
179.03482	41.2
181.05023	7.5
185.11794	2.4
197.04517	3.4
209.11891	1.7
211.07616	2.0
227.12708	1.7
239.07118	2.7
240.04070	2.3
255.06548	4.6
265.04947	3.3
267.06479	10.7
293.04483	4.7
303.18060	4.4
305.34009	1.9
311.05521	9.4
327.05103	3.1
328.08084	2.3
329.06177	10.7
347.17099	100.0
348.17557	5.1
371.20441	3.6
371.24579	3.6
373.25949	2.0
389.18146	57.2
389.23032	3.7
390.18472	3.8
405.21191	2.6
417.60794	2.0
429.21170	13.0
447.21970	12.1
491.10260	1.6
491.21463	15.4
491.27942	15.0
492.15201	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.6
55.69455	1.5
57.03450	40.3
58.00605	1.4
59.01381	79.5
60.49656	1.5
61.98817	6.8
62.24774	1.6
63.99751	1.4
68.82127	1.5
71.01379	33.5
71.51895	2.5
72.99312	11.1
73.02937	15.1
75.00858	1.8
79.31332	1.4
81.03458	3.7
83.01390	6.0
83.05011	2.2
85.02944	18.5
86.00075	2.0
87.00851	2.8
87.04503	1.7
88.98817	1.7
89.02432	5.0
93.03433	3.6
95.01406	2.9
96.95970	2.7
97.02964	2.2
99.00877	6.2
99.04524	9.3
101.02438	41.4
106.06618	6.8
109.02933	5.3
113.02454	14.1
116.92783	2.4
118.98079	3.7
119.03609	1.6
119.05037	16.2
120.60960	1.4
121.02980	2.7
123.04530	14.1
125.02435	5.6
129.02002	1.7
132.02252	1.8
133.02983	8.3
134.03770	1.7
135.04524	42.0
137.02406	2.1
145.02959	2.4
149.02411	5.7
150.05600	5.9
153.05569	6.8
161.02451	26.1
161.04575	5.0
162.02893	1.8
163.03990	9.3
171.10321	1.9
173.04530	4.9
179.03482	41.2
181.05023	7.5
185.11794	2.4
197.04517	3.4
209.11891	1.7
211.07616	2.0
227.12708	1.7
239.07118	2.7
240.04070	2.3
255.06548	4.6
265.04947	3.3
267.06479	10.7
293.04483	4.7
303.18060	4.4
305.34009	1.9
311.05521	9.4
327.05103	3.1
328.08084	2.3
329.06177	10.7
347.17099	100.0
348.17557	5.1
371.20441	3.6
371.24579	3.6
373.25949	2.0
389.18146	57.2
389.23032	3.7
390.18472	3.8
405.21191	2.6
417.60794	2.0
429.21170	13.0
447.21970	12.1
491.10260	1.6
491.21463	15.4
491.27942	15.0
492.15201	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79263	0.5
59.01369	1.2
62.96393	0.5
68.01135	0.6
68.35702	0.6
69.28824	3.9
69.29230	1.0
69.83469	0.6
74.95596	0.5
78.95900	16.5
81.70004	0.5
120.96967	3.4
138.98012	5.0
143.99997	0.6
145.43886	0.5
152.99580	14.5
166.66173	0.5
179.30247	0.6
195.00645	7.3
203.03352	0.6
213.01711	10.3
259.20654	1.0
275.20239	1.0
277.21707	100.0
278.22073	4.4
328.21338	0.6
423.31345	0.6
473.23087	35.3
474.23465	2.0
491.24094	13.1
492.24783	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52360	0.5
57.03444	4.5
57.27237	0.6
59.01379	100.0
59.63712	0.6
60.01719	1.6
61.01812	1.1
61.98843	1.9
70.32390	2.3
71.01376	10.5
72.99297	1.6
73.02946	6.7
83.01387	2.9
85.02966	3.6
87.00873	0.8
88.98807	1.2
89.02448	5.2
93.03451	0.9
95.01434	0.9
96.96028	0.9
97.02975	1.2
99.00890	1.6
99.04528	3.9
101.02452	8.6
105.01987	1.3
113.02446	7.3
119.03527	1.7
123.04545	1.1
125.02451	5.3
129.20815	0.6
131.03487	0.9
135.04547	1.7
135.98312	1.3
143.03505	1.7
145.01396	0.9
149.02467	0.6
149.04578	0.6
151.00438	1.5
153.01891	0.7
161.02602	0.7
161.04514	3.2
173.00929	0.7
173.04591	0.8
178.99913	0.9
179.03459	0.9
179.05585	1.0
196.15926	0.7
209.11870	0.8
215.07137	0.8
223.06154	1.0
227.16570	2.0
259.06152	6.4
283.06226	1.1
287.05600	5.2
311.05713	0.9
344.37680	0.7
347.17188	1.3
371.20724	28.2
372.21030	1.4
389.21936	5.1
401.18262	1.5
424.61627	0.6
431.22934	12.8
463.12448	1.1
491.22479	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	491.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.6
59.01378	100.0
60.01710	0.7
61.98827	2.9
68.19902	0.6
69.64138	2.4
69.64541	1.2
71.01379	8.1
72.99313	2.3
73.02943	3.4
80.64393	0.7
83.01414	1.5
85.02968	2.4
87.00883	0.7
88.98830	0.9
89.02422	3.9
89.60445	0.7
93.03471	2.0
95.01392	0.9
96.96065	0.7
99.00911	1.6
99.04534	2.6
101.02442	5.9
113.02433	5.4
119.03526	1.4
120.99686	1.2
121.03001	0.7
123.04569	1.1
125.02475	2.2
128.03539	1.1
129.03893	0.7
134.03798	1.1
135.04546	3.3
135.98344	1.1
137.02461	2.1
148.04079	2.2
149.02394	1.4
153.05614	1.0
160.04033	1.4
161.02481	1.3
161.04640	2.8
163.04013	0.8
164.04813	1.1
165.01947	0.8
168.06604	1.0
173.04601	0.7
178.02774	0.7
178.05096	0.8
179.03505	1.4
191.01941	0.9
193.05121	1.6
197.04538	0.7
207.44907	0.7
208.06239	1.0
209.11816	1.2
210.46375	0.6
223.06165	2.2
223.08432	1.3
224.09288	0.6
226.91910	0.6
227.16631	0.9
238.10878	1.7
253.09764	2.9
255.11516	1.5
267.11389	0.8
283.10974	1.7
285.12518	2.6
311.05667	1.7
329.11578	3.7
329.15598	0.7
347.17136	1.7
362.19012	0.7
371.20703	13.6
389.22009	3.2
431.23038	6.8
437.84232	0.8
491.10397	1.0
491.16876	6.8
491.23206	3.6
492.17300	0.9
512.81952	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
57.03453	0.5
58.00592	1.9
59.01377	20.5
61.98820	5.2
68.07299	0.5
70.70271	1.5
71.01381	11.3
72.99296	1.7
73.02958	3.9
78.95918	0.7
83.01385	0.9
85.02943	2.9
87.00877	1.9
89.02431	9.7
95.01402	0.9
97.06593	1.2
101.02441	6.9
109.02934	0.9
111.08133	1.5
113.02445	3.7
113.09715	0.9
119.03498	3.1
119.05023	0.5
123.08157	0.9
125.09698	3.1
133.02907	1.9
135.04518	13.6
135.08162	0.7
136.04901	0.8
137.02397	0.8
141.09192	1.1
143.03496	0.5
145.02936	0.7
149.02481	1.2
150.03128	0.7
153.09213	7.5
155.10808	0.7
161.02437	6.0
179.03490	16.4
180.03935	1.0
185.11818	0.5
191.03459	0.9
209.11867	0.7
211.07603	0.5
217.10793	1.7
247.20708	0.5
258.82440	0.6
267.06628	2.9
311.05624	2.5
311.22159	1.4
325.23862	0.6
329.23285	25.8
330.23630	1.7
346.81284	0.5
349.20035	0.6
400.61752	0.7
428.15826	3.7
473.21866	1.5
491.28583	100.0
492.29031	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	492.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.3
59.01379	3.6
61.98829	0.8
67.01880	0.4
67.67490	0.1
70.37193	0.3
70.37523	0.2
71.01384	0.7
72.99301	0.2
73.02940	0.3
74.99107	0.2
75.38369	0.1
81.03458	0.3
83.01376	0.3
83.05022	0.2
85.02940	0.3
91.01884	0.3
92.02699	0.2
93.03405	0.2
94.29231	0.2
95.01395	0.5
96.95998	0.1
97.02903	0.2
101.02445	0.5
107.01398	0.8
108.02167	9.2
109.02448	0.2
111.00895	0.5
113.02461	0.4
118.98089	0.6
120.99651	0.3
123.00888	1.0
123.04532	1.7
125.02438	0.4
126.38657	0.1
135.04535	0.4
137.02414	0.2
138.01964	100.0
139.00439	0.2
139.02313	1.9
149.02437	0.2
151.00368	0.9
151.02715	0.4
151.03862	0.2
152.01154	1.3
161.02464	0.3
166.02719	0.6
167.03476	3.6
173.99791	0.1
179.03522	0.2
187.04079	0.2
204.02937	0.2
209.04581	0.3
278.04391	0.5
293.06650	0.4
311.07748	1.2
329.23343	0.3
330.23630	0.2
353.08844	0.9
382.17871	0.1
432.09299	3.2
433.09882	0.2
441.70410	0.2
491.28497	1.2
492.11478	1.7
492.22992	0.2
492.29004	2.4
493.29227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	2.0
61.98819	2.8
70.83679	2.3
75.69065	0.9
78.46016	0.7
78.95903	42.9
79.99894	0.8
96.96980	1.4
113.09712	1.7
122.00141	1.5
135.04524	0.9
140.01190	9.3
152.99556	3.0
161.02452	1.8
166.02527	0.9
171.00630	1.8
171.10252	8.0
177.12794	1.2
179.14420	1.6
195.13898	19.1
196.03801	13.8
209.11797	1.4
214.04797	5.5
245.32956	0.9
277.21698	25.9
295.22766	100.0
296.23151	6.3
431.22095	0.9
492.27267	83.3
493.27728	5.9
512.71088	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16706	0.7
57.03400	0.8
59.01361	2.1
61.98829	3.5
66.48394	0.7
66.95573	0.7
69.45708	5.2
69.95348	0.7
72.25358	0.7
78.95901	65.5
86.43659	0.8
96.96954	4.5
98.19988	1.2
113.09682	2.2
135.04485	0.9
140.01183	3.5
149.59723	0.7
152.99574	12.4
161.02428	1.5
171.00644	11.9
173.04512	0.9
179.14391	0.8
183.13853	3.4
183.48662	0.8
195.13893	16.6
196.03760	1.6
196.14233	1.1
214.04785	4.6
249.53397	0.7
277.21686	16.2
278.21973	2.1
278.24844	0.8
295.22760	100.0
296.23120	11.9
378.84241	0.7
418.23834	1.3
492.27344	67.8
493.27420	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48830	0.4
57.03448	0.8
59.01371	1.1
61.98848	0.4
64.84738	0.4
69.15866	4.3
78.95904	11.7
83.04986	0.5
96.35619	0.5
113.09721	1.6
118.48046	0.4
140.01193	3.4
152.99562	1.7
169.12503	0.4
171.00636	1.3
179.14389	1.3
195.13884	16.1
196.03781	1.7
196.14206	0.6
214.04855	4.1
223.86127	0.4
277.21704	15.4
278.22025	0.8
294.66858	0.5
295.22757	100.0
296.23111	5.9
334.08121	0.5
492.27283	37.5
493.27695	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	492.273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52868	0.7
57.03450	1.0
59.01376	1.8
59.37775	0.6
59.93438	0.6
61.98813	0.7
64.26347	0.7
67.50015	0.7
69.82703	3.2
77.22736	0.7
78.95901	31.4
86.78764	0.7
93.05197	0.6
93.76881	0.7
95.64751	0.7
98.20587	1.1
107.84100	0.6
113.09715	2.1
140.01193	8.3
152.99608	2.3
154.04747	0.6
171.00551	0.9
171.10243	8.6
179.14444	1.1
191.38255	0.8
195.13898	17.4
196.03766	12.6
196.14180	1.0
214.04865	4.3
233.22803	0.7
277.21692	26.8
278.22058	1.8
290.71469	0.8
293.21051	0.9
295.22766	100.0
296.23175	5.2
353.15009	0.8
433.96902	0.7
492.27261	73.2
493.27692	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	493.1156
Annotation	Salvianolic acid A
Peak:m/z	Relative Intensity
57.01249	1.1
57.03444	4.8
59.01381	41.4
61.98833	5.4
66.11699	1.0
67.01886	2.7
69.38668	5.3
69.39091	2.1
71.01382	7.7
72.99306	14.3
73.02944	3.3
81.03449	1.9
81.56419	1.0
83.01397	1.5
85.02959	4.0
89.02431	2.0
90.49529	1.2
90.65090	1.0
91.01915	2.7
93.03451	1.6
95.01384	6.3
99.00900	0.9
99.04512	3.0
99.92590	1.6
101.02445	4.6
101.78271	1.0
107.01395	5.0
107.04993	1.4
108.02162	7.1
109.02953	88.8
110.03290	1.4
111.00872	3.8
112.28471	0.9
113.02467	2.8
115.92088	2.6
116.92849	2.4
117.03462	1.0
119.04981	1.9
120.99633	1.8
121.02930	2.8
123.00887	49.4
123.04521	15.5
124.01675	22.5
125.02470	6.2
129.03419	1.4
133.02959	2.1
134.03720	2.5
135.04530	26.4
136.01672	1.6
137.02499	1.1
137.06120	1.3
138.03220	15.4
139.04015	9.3
139.11293	1.5
145.02957	3.7
147.04520	4.1
150.03270	1.7
151.00368	8.2
151.03978	2.5
151.99976	1.5
152.01149	10.4
153.01959	7.7
153.05501	1.1
157.02911	6.7
158.03749	1.4
159.04518	16.0
161.02472	4.3
161.47496	0.8
166.02698	3.7
167.03493	32.7
173.02409	8.5
175.03949	3.8
177.05515	2.0
179.03526	9.1
181.05023	3.2
181.12433	1.4
183.10260	3.4
184.10555	1.7
185.02434	68.3
185.64816	1.0
186.03189	9.9
197.04581	7.3
203.03523	9.6
221.04482	1.5
225.11273	1.2
239.07130	1.0
243.12361	7.0
244.12697	5.4
245.12903	4.6
249.05606	1.6
253.05118	3.0
264.95169	1.0
267.06668	2.6
269.08142	2.3
277.05017	5.2
278.04272	2.8
293.06985	1.6
295.06097	100.0
296.06320	5.7
311.07782	15.5
313.07172	9.3
323.07437	1.3
328.82651	1.2
331.04776	2.0
353.08710	3.8
359.07846	1.0
433.05490	2.0
433.11368	40.3
434.11618	3.1
449.19077	1.3
451.12515	3.2
493.13568	58.7
493.23770	3.9
494.13953	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03222	1.0
57.03458	4.8
59.01377	51.4
61.98825	3.8
63.53969	0.7
67.01880	4.2
68.99821	1.6
69.03448	1.0
69.36997	1.9
69.37408	5.4
71.01381	11.7
72.74322	1.0
72.77605	1.0
72.82115	0.9
72.99297	4.4
73.02946	2.5
79.01886	0.9
81.03442	2.9
83.01397	3.0
85.02956	6.7
87.00881	1.7
89.02430	1.7
91.01887	3.0
93.03473	1.2
95.01398	12.5
96.96000	1.2
97.02944	1.7
99.00860	1.9
99.04504	2.2
101.02418	7.5
107.01405	8.9
108.02174	8.5
109.02949	29.5
109.06622	1.5
110.03263	1.0
110.76797	1.0
111.00894	8.1
113.02448	5.5
115.92117	1.1
116.92849	2.3
119.04989	2.4
121.02938	3.3
122.03807	1.3
123.00883	89.0
123.04503	19.8
124.01669	44.1
125.02463	8.1
133.02942	1.0
134.03789	1.2
135.04526	9.7
136.01651	1.6
137.02477	1.5
137.06075	10.0
137.84070	0.9
138.03226	29.8
139.00374	1.6
139.04022	16.1
143.03519	1.6
147.04526	1.8
147.29944	1.2
149.02420	1.2
150.03233	3.8
151.00392	12.2
151.03966	3.4
152.01152	22.1
153.01932	15.5
153.05544	1.5
157.02988	2.3
159.04529	4.4
161.02443	3.5
161.04597	2.6
163.03989	1.2
165.05569	2.3
166.02701	8.6
166.97038	0.9
167.03487	58.9
168.03860	1.4
173.02396	2.3
173.04541	1.8
174.03239	1.0
175.04094	2.3
177.02031	0.9
177.05560	1.9
179.03516	3.6
181.03479	1.6
181.05063	22.8
183.10236	2.7
185.02425	13.5
186.03242	2.8
193.05038	1.0
195.02975	1.4
197.04547	3.1
203.03523	1.9
208.23560	1.1
209.04437	1.2
210.69771	1.1
214.93028	1.0
221.04498	3.7
225.11142	0.9
235.06215	1.9
243.03375	2.1
243.12209	1.2
251.05719	1.1
256.03342	1.3
278.04248	6.4
279.05063	2.0
279.23785	0.9
280.06070	1.5
293.06662	4.8
295.05969	21.5
296.05698	3.1
297.06204	2.5
311.07681	46.5
312.07910	2.2
323.07626	2.3
331.04895	2.0
339.07205	1.4
353.08585	8.0
408.99719	1.0
413.21954	1.7
423.60400	1.1
433.11353	76.7
434.11639	5.0
451.12436	7.9
478.11053	1.6
493.13519	100.0
493.22867	7.0
494.13879	9.0
499.69064	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	493.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00642	0.4
57.03453	0.4
59.01369	3.4
61.98840	0.7
64.55946	0.3
71.01373	0.6
75.74934	0.3
76.57679	0.4
81.03450	0.6
85.41146	0.4
88.98804	0.5
94.06589	1.8
96.08186	0.5
100.04040	1.0
101.02423	0.4
102.98536	0.4
106.06627	1.6
108.04575	0.7
115.05134	0.5
118.06594	0.6
119.03666	0.5
122.06072	0.8
124.07674	2.3
134.03716	0.4
134.06094	3.6
135.04532	0.8
136.03992	0.4
136.07672	1.6
137.02478	0.8
138.05629	0.6
144.02931	0.5
148.07686	0.5
150.05621	1.8
152.07147	3.0
153.01962	0.5
158.84373	0.3
161.02458	0.7
162.05656	0.5
167.03537	0.4
178.05049	2.6
180.06656	3.7
195.05287	0.5
197.49812	0.4
206.04527	1.3
231.11314	0.7
239.07988	0.4
241.13301	0.8
243.11295	1.1
254.10535	2.0
258.13745	0.8
269.12936	5.7
287.13907	1.4
302.09000	0.7
303.13452	4.2
307.09402	0.8
307.96451	0.4
315.09967	0.4
330.12311	1.3
331.12970	100.0
332.13312	5.5
373.14099	0.7
493.18369	5.4
493.25174	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	493.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02687	1.2
57.03444	10.5
59.01377	100.0
60.01714	1.4
61.02285	1.1
61.98806	5.1
67.01891	1.7
69.22729	7.0
69.23151	3.5
71.01378	16.9
72.99295	3.2
73.02946	5.5
83.01376	3.2
85.02923	5.3
88.98798	1.3
89.02435	3.8
95.01363	4.8
97.02944	1.1
98.20755	1.2
99.00871	2.8
99.04517	8.4
99.92560	2.5
101.02445	13.1
105.40558	1.1
107.01358	1.5
108.02176	2.2
109.02949	7.8
109.06579	2.0
111.00832	1.3
113.02444	6.9
115.92114	2.8
116.92856	22.8
119.03499	1.5
119.04987	2.8
121.02937	3.7
123.00871	17.6
123.04535	7.2
124.01694	6.4
125.02435	6.9
125.09701	8.5
134.03723	1.5
135.04497	4.9
137.02463	1.5
137.06085	11.8
138.03192	5.6
139.03987	2.7
139.11218	2.2
151.00316	3.3
151.03906	1.4
152.01163	7.7
153.01964	5.7
161.02429	3.6
161.04532	5.6
163.73041	1.1
165.05617	1.3
166.02655	2.0
167.03485	21.4
179.03394	2.0
179.05666	1.5
181.05060	27.8
183.10306	1.7
183.23630	1.2
185.02345	2.0
187.09738	21.7
188.10106	1.4
196.74014	1.2
226.96434	2.1
240.07449	3.4
243.03316	1.4
285.07925	1.4
287.16559	1.3
295.06039	4.6
296.05249	1.3
311.07745	30.4
331.04889	1.3
331.17389	2.3
349.14914	2.2
349.18671	3.2
353.08670	1.8
371.20578	2.3
391.19571	2.0
413.21973	2.8
433.11243	13.3
493.13232	29.4
493.22552	9.3
494.13739	1.9
494.23242	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26924	0.6
54.36978	0.6
57.03438	3.5
59.01377	95.3
63.27701	0.6
70.26670	1.7
71.01382	9.7
72.99303	0.7
73.02942	4.2
78.91879	3.9
79.14810	0.5
79.99580	0.6
83.01393	2.2
85.02943	5.7
87.00895	0.8
89.02421	1.1
89.48145	0.5
91.09201	0.5
93.03455	1.2
95.01371	0.8
97.06617	0.6
98.20580	0.5
99.00877	1.6
99.04506	4.1
101.02435	10.7
103.05842	0.6
109.02962	1.4
109.06629	0.6
113.02459	4.5
121.02964	0.7
125.02472	0.9
130.90559	0.6
135.04482	0.8
139.04018	1.6
143.03462	0.9
159.03030	0.9
161.04543	5.6
163.11461	0.5
165.12852	0.8
167.03456	0.7
189.12843	1.4
191.10754	0.6
207.13881	3.0
209.11823	7.6
223.08199	9.2
225.14938	5.1
227.12865	27.0
228.13217	0.9
265.09171	3.3
269.13895	3.4
287.14935	1.5
295.06082	1.2
349.18835	0.6
452.32693	0.6
475.21844	11.9
476.22299	0.8
493.22888	100.0
494.23129	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	493.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.5
69.92709	1.4
69.93095	0.7
78.95898	11.5
80.98849	0.3
89.48302	0.4
98.19977	0.6
120.96958	2.7
137.00093	0.5
138.98024	4.7
152.99573	11.2
195.00632	5.1
213.01688	7.9
261.22266	0.4
279.23264	100.0
280.23642	6.4
475.24622	32.1
475.31790	0.6
476.24985	2.2
493.25629	11.0
494.26111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.4
62.96415	0.7
67.23352	0.4
70.03017	1.2
78.95428	0.9
78.95897	15.4
96.96912	0.9
120.96964	2.1
131.87183	0.4
138.98044	3.8
152.99574	17.7
195.00633	5.7
199.43486	0.3
213.01662	7.0
227.21065	0.3
277.21719	0.5
279.23270	100.0
280.23618	6.5
431.21841	1.8
475.24615	30.8
476.25064	2.1
483.19028	0.4
493.25632	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	493.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	12.0
82.53499	0.4
88.56956	0.4
98.19765	0.9
120.96986	2.8
123.92345	0.4
138.98030	4.6
152.98380	0.8
152.99579	12.6
153.00819	0.6
195.00636	5.6
213.01675	8.3
217.15750	0.4
279.23264	100.0
280.23618	5.7
344.55087	0.4
442.39053	0.4
474.40759	0.4
475.24628	33.3
476.25021	2.5
493.25693	12.9
494.25967	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	493.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	22.1
61.98805	2.1
63.19340	0.6
64.76254	0.9
64.88001	0.7
71.01382	11.2
71.51453	1.0
72.64118	0.6
72.99316	1.2
73.02936	1.1
78.95909	1.4
83.01384	1.1
83.05016	2.3
85.02940	2.5
89.02448	7.8
93.03469	0.8
95.05007	0.8
101.02441	6.6
113.02469	3.5
113.09753	0.8
119.03489	2.2
119.04990	0.8
123.08137	1.8
125.09735	2.4
127.11322	0.7
133.02917	1.1
135.04549	2.0
135.08160	1.0
141.09248	1.9
141.12807	4.9
153.09222	1.5
161.02429	4.8
163.11385	1.1
165.12866	0.8
171.10271	14.1
171.13881	3.2
179.03470	1.2
191.10794	0.9
203.14294	0.9
209.11809	38.4
210.12091	1.0
220.53505	0.7
227.12839	1.1
237.15208	0.7
247.13333	5.1
265.14584	1.7
265.21613	2.6
267.23209	1.3
283.22702	1.2
285.24350	1.7
313.07184	1.6
315.25345	1.7
327.25406	1.3
331.24896	27.7
332.25381	1.2
377.62903	0.8
401.23114	1.7
475.27792	3.4
493.30191	100.0
494.30627	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	494.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82444	0.5
55.58487	0.5
59.01374	0.7
61.98826	5.0
65.38747	0.4
70.67015	0.5
70.71878	1.2
78.95901	58.0
85.56527	0.5
96.96964	5.7
97.21309	0.6
120.96958	1.6
138.98006	3.0
150.98015	1.8
152.99580	100.0
153.99908	2.5
171.00627	4.5
195.00606	3.9
196.00995	0.6
213.01697	4.3
214.02054	1.8
223.20702	1.9
231.02812	0.6
267.19733	2.9
277.21744	1.5
278.22101	1.7
279.23282	25.3
280.23615	62.0
281.23941	1.9
431.22012	29.9
432.22583	1.8
475.24753	1.6
476.24933	23.0
477.25400	0.8
494.19424	0.9
494.26062	10.9
512.01465	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.0
61.70538	0.3
61.98829	100.0
70.11298	1.5
71.01383	1.6
72.99335	0.5
78.95919	1.6
85.02954	0.4
88.66814	0.4
89.02460	1.7
101.02453	2.2
113.02389	0.6
114.59689	0.4
118.35651	0.4
119.03483	0.8
152.99579	2.1
223.20723	1.4
226.10225	0.5
245.04196	0.5
251.20166	0.4
267.19641	0.5
269.21234	7.7
270.21472	0.5
278.22208	0.6
288.95087	0.4
431.26486	32.2
432.26917	2.5
476.24179	0.6
507.31534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.3
61.98829	100.0
69.88217	1.3
69.88628	1.2
71.01377	2.6
87.00928	0.5
89.02453	2.1
98.20541	1.0
101.02481	1.1
113.02446	0.9
119.03463	1.2
131.36426	0.5
148.30617	0.5
149.04860	0.5
151.01971	0.5
152.99568	0.7
162.38113	0.6
177.37407	0.5
184.92029	0.5
202.35042	0.5
223.20705	1.2
251.20105	0.5
256.90405	0.6
269.21210	6.1
278.22144	0.9
280.23206	0.5
315.77869	0.6
431.26434	26.3
432.27029	2.4
476.24203	0.9
481.20163	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1142
Annotation	tarocin A1
Peak:m/z	Relative Intensity
52.01935	0.7
53.05898	0.8
53.83370	0.7
57.03461	0.9
59.01378	2.0
64.53632	0.7
69.48885	1.8
69.49313	2.9
71.01375	3.0
72.99255	0.7
73.02953	0.9
79.01924	0.7
81.03465	1.4
85.02940	2.3
93.03424	0.9
95.01393	2.5
96.62080	0.8
97.02935	1.2
101.02425	1.7
107.01375	3.0
108.02171	56.6
109.02958	23.8
111.00864	1.1
113.02425	1.6
117.03352	0.6
121.02915	3.8
123.00876	6.2
123.04533	1.2
124.01663	1.9
125.02398	1.4
127.00350	2.2
135.00883	2.3
135.04488	0.8
136.98770	1.6
137.02444	3.3
138.03256	1.0
139.00368	2.4
139.03993	3.4
152.01147	61.2
153.01932	19.9
153.05554	3.7
154.02634	1.1
157.37175	0.8
161.04567	0.9
163.03983	1.7
165.01787	1.1
166.99854	1.7
168.00623	2.3
169.01501	1.1
176.95236	0.8
177.01869	0.8
181.01422	2.0
182.02180	5.4
183.02977	15.0
192.55098	0.7
197.04544	8.5
225.04099	0.8
231.13217	0.7
244.60379	0.8
283.21124	0.9
293.57269	0.9
311.07782	1.5
315.07193	4.0
318.07465	0.9
326.06546	1.1
327.07114	7.9
341.08719	2.8
350.24326	0.8
451.12122	3.8
463.08896	3.0
495.11414	100.0
496.11847	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	495.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01384	2.4
59.43189	0.5
59.45327	0.3
60.99302	0.6
61.98822	0.8
66.63902	0.4
67.01861	0.4
68.99796	0.4
69.93951	1.8
71.01382	5.0
72.99306	0.8
73.02957	0.9
80.20825	0.3
81.03458	0.7
83.01384	0.8
85.02966	2.0
87.00851	0.4
88.98804	2.8
89.02440	0.5
93.03459	1.1
95.01405	1.1
95.05017	1.2
96.96038	0.7
98.19973	0.7
99.00893	0.7
99.04529	0.4
101.02438	2.1
105.03459	0.6
108.02168	0.8
109.02946	0.9
111.00907	0.5
113.02430	1.1
121.02950	5.4
121.95340	0.4
122.03773	1.1
123.00937	2.4
123.04520	100.0
124.04856	2.1
125.02457	0.8
127.00349	0.5
135.04517	0.7
137.02434	3.5
138.03218	3.5
139.00343	1.3
139.04047	0.5
152.01105	0.6
153.05566	85.4
154.05931	1.7
154.38632	0.5
155.03456	0.7
166.99861	2.2
167.03491	1.5
168.04289	3.3
169.01407	0.5
177.01924	0.6
179.03416	0.8
181.01419	3.7
182.02202	5.3
183.02979	3.1
183.06577	4.0
195.02945	0.4
195.06654	0.4
196.03928	0.8
197.04536	21.2
198.04814	0.5
211.06111	0.4
225.04025	1.2
243.12331	1.5
277.08441	0.4
311.04224	0.7
311.07681	4.4
326.06439	6.0
327.07001	0.7
333.05975	1.1
341.08734	84.1
342.09103	3.8
345.15463	0.5
394.05783	0.4
405.17572	1.1
495.15045	3.6
495.24243	0.9
496.15750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.0
59.01377	60.7
60.99301	2.2
61.98829	5.3
64.77116	1.6
69.83392	3.5
69.83807	5.7
71.01382	7.7
71.05027	2.0
72.99305	1.9
85.02965	1.5
85.51524	1.6
87.00870	7.0
87.04477	1.6
88.98803	20.3
89.02467	8.2
89.30117	1.5
96.96006	3.6
98.20650	1.9
99.04517	9.1
99.08153	3.8
101.02438	6.1
103.00395	9.4
109.06607	4.4
113.02450	3.2
115.04003	4.7
115.07665	1.9
117.05573	5.0
121.06545	1.9
123.04511	2.6
127.07655	32.8
131.76419	1.7
143.07141	2.9
151.07628	3.6
153.05576	3.6
161.08192	100.0
171.06613	22.6
181.05022	2.4
195.03036	1.7
195.06647	2.0
203.09285	21.0
213.07692	2.7
243.08676	3.5
264.62924	1.6
271.10928	3.4
273.09839	7.7
332.91187	1.9
333.11902	19.7
453.81207	1.7
495.10938	2.7
495.16986	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2596
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
57.03438	1.7
59.01376	29.2
61.98825	7.4
62.50842	1.4
65.47072	1.2
69.14748	12.5
71.01378	30.5
72.99312	2.7
73.02919	1.1
85.02951	2.8
87.00873	1.7
89.02439	45.0
95.01376	2.3
98.19939	2.4
101.02441	9.9
106.08810	1.2
113.02451	11.2
119.03483	6.2
131.03488	2.4
136.20567	1.2
137.09695	2.3
143.03511	4.4
149.04520	2.4
161.04543	5.3
179.05592	23.4
197.11859	3.2
218.17488	1.1
226.82671	1.3
235.13385	2.5
253.16010	1.5
255.17546	5.3
269.19144	2.3
271.20651	27.0
272.20920	2.4
315.19601	100.0
316.19858	5.8
333.20584	1.3
357.21545	1.4
403.24423	1.7
479.75488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23788	0.6
62.02685	0.6
71.14544	1.1
78.95898	49.0
82.07156	0.7
96.96950	3.9
138.98000	1.5
152.99576	68.4
170.99258	1.3
171.00633	16.0
180.26471	0.6
195.00603	1.7
213.01602	2.3
227.03278	4.7
245.04288	100.0
246.04645	2.3
267.23257	62.8
268.23621	3.4
269.77286	0.7
281.24835	33.9
282.25232	1.6
299.99741	0.7
433.17529	0.7
437.96396	0.6
477.26141	11.9
478.26352	0.8
495.27255	73.4
496.27533	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	496.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.6
59.01385	6.7
60.01694	1.2
61.98827	23.2
69.96405	1.5
69.96791	1.7
71.01371	2.7
73.02957	1.1
80.91673	1.1
81.03476	0.7
82.95414	2.0
85.02940	1.6
89.02443	0.9
93.03510	1.0
96.96006	0.9
99.04508	2.2
99.69092	0.7
101.02419	1.8
102.05605	5.4
102.82876	0.8
107.01395	1.4
108.02171	1.0
109.02962	0.7
123.04516	0.8
125.02412	1.0
128.03519	5.8
134.04736	0.8
135.04587	1.2
146.04567	3.4
151.00339	6.5
153.01904	1.3
153.05583	1.0
161.02403	1.1
161.04626	0.8
163.00391	0.9
173.04559	1.5
178.99818	2.6
179.03453	0.8
196.06126	0.9
209.11916	0.9
227.03412	0.9
229.13222	0.8
241.21440	0.7
243.02969	5.5
247.63486	0.7
254.02132	2.3
255.02974	18.1
271.02460	39.0
272.02948	2.5
273.03891	0.9
300.02725	94.8
301.03427	21.0
373.05716	1.2
433.07712	100.0
434.08044	7.2
495.23599	4.3
496.25308	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	496.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50654	0.3
59.01381	2.8
60.56979	0.3
61.98828	100.0
64.82770	0.3
65.88817	0.3
70.33173	0.3
71.01394	1.9
78.95901	3.3
82.38744	0.3
89.02452	1.3
96.68930	0.4
101.02462	1.2
113.02461	0.9
119.03534	0.4
152.99617	0.8
171.00618	2.4
173.29094	0.4
223.20758	0.4
224.21103	0.3
225.22244	2.7
253.21761	0.9
267.19647	0.4
268.20123	0.7
271.22720	5.3
280.23700	0.7
282.24222	0.5
289.02106	0.4
430.88367	0.3
433.28027	22.6
434.28674	1.4
478.25955	0.5
496.27469	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60482	0.3
57.03448	2.6
58.00612	0.3
59.01380	7.6
59.01658	0.6
61.98824	1.3
69.03462	0.7
69.72987	0.4
71.01373	6.0
71.51470	0.3
72.99295	0.5
73.02949	1.5
78.95929	0.3
83.01382	0.6
83.05019	5.2
85.02958	1.3
87.00876	1.5
88.98806	1.1
89.02444	5.6
95.01363	0.7
96.96004	0.9
97.02934	0.6
99.04525	0.8
101.02441	7.6
109.06599	1.4
111.08160	54.7
112.08498	1.3
113.01756	0.5
113.02453	2.5
114.31742	0.4
118.68736	0.3
119.03510	0.8
121.02986	0.4
125.02457	0.9
128.47299	0.4
129.09187	2.2
131.03516	0.4
135.04489	0.4
137.02478	0.4
143.03505	0.6
152.99609	0.3
153.09221	4.3
161.04527	0.7
173.08180	100.0
174.08493	2.1
180.54916	0.4
187.09734	4.2
197.08185	18.8
198.08611	0.5
201.11325	1.2
215.09232	11.0
245.10307	5.0
246.10664	0.5
275.11356	18.9
276.11710	0.7
317.12244	0.8
335.13452	36.5
336.13724	2.1
341.10919	0.4
453.15857	0.4
497.12021	1.5
497.18628	41.2
498.18951	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.3
60.84464	0.6
61.98811	0.5
69.48824	3.3
71.01383	1.6
71.05020	7.0
75.50656	0.4
78.16998	0.5
78.95901	11.3
83.05048	1.0
89.02448	1.3
89.12280	0.5
96.96997	1.0
98.20662	0.8
99.00883	0.9
117.01987	1.2
152.99573	13.7
153.00816	0.7
171.00591	1.6
171.98358	1.8
195.17549	2.0
197.19083	15.0
198.19461	0.6
209.36267	0.5
223.20650	6.4
225.22229	22.9
226.22606	1.1
227.03233	2.9
245.04320	1.9
251.20059	3.1
269.21210	100.0
270.21606	4.7
341.67242	0.6
417.20972	0.5
458.38419	0.5
497.17966	1.9
497.25192	48.4
498.25903	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	497.2755
Annotation	Simplexin I
Peak:m/z	Relative Intensity
55.01867	0.8
57.03440	1.4
59.01380	45.2
60.31776	0.5
61.98826	2.1
69.03443	1.1
71.01382	27.7
71.06731	0.9
72.99287	1.6
73.02943	25.7
78.95889	0.6
83.01387	8.2
85.02945	4.9
86.98067	0.4
87.00882	1.8
89.02444	6.1
95.01386	1.1
97.02937	1.2
99.00856	0.9
101.02441	20.6
112.57970	0.4
112.98508	0.5
113.02446	6.6
119.03499	2.0
125.02478	1.2
125.27218	0.5
131.03494	1.2
133.02951	0.5
135.04555	0.7
139.64302	0.5
142.86028	0.4
143.03511	0.8
149.04565	1.1
152.99573	1.4
153.14505	0.4
161.02426	0.8
161.04588	2.3
191.05576	0.6
204.52480	0.5
223.13400	0.8
223.16971	1.5
245.04201	0.5
269.21255	0.7
275.20126	12.3
276.20462	0.7
277.21674	2.5
293.21198	12.2
294.21481	0.5
437.25360	6.9
438.25748	0.6
455.20056	0.9
455.26462	16.0
456.26852	1.0
497.27533	100.0
498.27866	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	498.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09607	0.7
61.98833	5.9
78.95900	44.8
83.95584	0.6
96.96960	5.7
103.30449	0.9
110.04173	0.9
150.98013	2.4
152.99579	100.0
153.99934	0.9
158.88014	0.7
171.00624	4.8
269.24796	1.7
270.25095	3.6
310.58307	0.7
316.47910	0.7
349.15060	0.9
435.25150	36.2
436.25955	2.0
483.08038	1.0
498.28992	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	499.2674
Annotation	Kadcoccilactone E
Peak:m/z	Relative Intensity
50.96090	0.7
58.81602	0.8
59.01376	75.2
61.98816	2.0
78.95900	23.7
96.96962	2.2
98.08686	0.8
102.17646	0.7
143.00977	0.8
150.98018	1.0
152.99576	43.6
164.07245	0.9
171.00639	2.7
181.53635	0.7
222.56287	0.9
225.22197	1.6
227.03261	7.8
245.04268	6.0
253.21635	1.4
271.22769	89.1
272.23157	5.2
273.61667	0.8
499.26752	100.0
500.27106	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	500.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
59.01362	1.7
61.98811	0.7
69.29482	3.6
69.41278	0.4
71.01374	0.8
71.05025	0.6
72.04542	0.7
73.02937	0.7
74.02453	0.5
74.50896	0.4
79.29314	0.4
82.02962	0.4
84.04551	3.2
85.02979	0.6
86.22861	0.4
87.87478	0.4
97.06573	2.3
102.05607	12.7
111.71012	0.4
114.09221	0.9
118.06351	0.4
119.05069	0.4
121.10166	0.5
123.08158	0.6
128.03535	31.6
129.03899	0.5
137.09680	1.0
139.11267	2.7
140.13887	0.4
146.04576	2.5
156.13919	1.0
162.73618	0.4
169.12314	0.7
170.08234	0.9
185.11824	4.6
198.18610	3.4
213.11316	0.5
214.12134	0.9
215.12602	0.5
226.18091	1.8
243.15945	1.2
311.22293	0.4
339.20813	0.5
341.23282	4.2
353.23340	1.6
371.24356	37.9
372.24713	2.5
426.28647	1.4
456.29623	6.7
457.30194	0.7
482.27496	5.5
500.28629	100.0
501.28973	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	500.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01385	1.6
61.98812	0.6
69.35870	0.3
69.53339	0.2
69.53683	2.0
71.01376	0.5
71.05013	0.4
72.04553	0.5
74.02467	0.7
82.02999	0.5
84.04546	2.7
85.02940	0.8
87.04484	0.3
97.06585	2.6
98.20632	0.6
99.04514	0.5
102.05610	14.2
114.09248	0.8
120.05259	0.3
123.08159	0.7
125.09698	1.0
128.03539	31.4
128.83897	0.3
137.09712	0.9
139.11308	3.0
146.04597	2.8
155.10753	0.5
156.13881	0.8
157.12308	0.7
170.08191	0.8
172.57689	0.3
184.13457	0.6
185.11823	5.8
185.13460	0.3
196.17067	0.4
198.18617	3.2
213.11324	0.7
214.12105	1.3
215.12865	0.5
224.16600	0.3
226.18042	1.5
231.98128	0.3
243.15971	1.2
255.18478	0.4
270.17047	0.6
293.21118	0.3
341.23355	4.3
353.23346	1.8
369.22800	0.5
371.24341	40.1
372.24768	2.0
426.28592	1.8
438.28616	0.6
456.29700	5.4
457.29813	0.5
482.27576	4.7
500.28632	100.0
501.29031	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	501.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
55.10574	0.7
57.03439	2.2
58.00547	0.9
59.01377	50.3
69.03422	1.1
69.92210	3.6
70.44223	0.8
71.01378	20.4
72.99303	1.6
73.02944	34.7
76.75415	0.7
78.95893	0.9
83.01392	5.4
83.05024	1.3
84.70419	0.7
85.02941	3.0
87.00848	1.1
89.02448	6.1
95.05016	0.9
96.14663	0.7
96.96011	8.0
96.96964	1.7
97.02950	1.9
101.02438	19.6
103.73939	0.8
109.02917	0.9
109.06602	1.3
113.02436	5.1
119.03506	2.4
121.06598	2.1
122.03742	10.9
123.08177	1.0
131.03517	0.8
133.06602	1.1
135.04512	1.9
137.06090	10.9
139.07626	2.1
149.09702	3.2
161.04552	2.3
161.05974	1.0
165.05574	2.5
173.09695	3.8
191.10764	16.1
192.11174	1.0
194.15462	0.7
219.10126	1.3
235.09703	2.0
337.40613	0.8
415.16074	27.3
416.16559	1.7
457.17123	100.0
458.17465	5.5
501.25525	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46621	0.8
57.03436	2.6
59.01379	31.9
62.44541	0.8
67.64845	0.7
69.03442	0.9
71.01382	13.3
71.26791	1.6
73.02944	26.0
75.88573	0.8
78.95930	1.0
83.01395	4.5
83.04998	1.5
85.02962	2.1
89.02449	2.6
94.89253	0.8
95.05002	0.9
96.95992	2.3
97.06590	1.6
101.02438	14.6
107.04995	1.2
109.02946	2.2
109.06580	1.8
113.02470	4.2
116.92865	1.9
119.03498	0.8
121.06582	3.5
122.03755	4.2
131.03462	1.0
133.06602	1.8
135.04512	4.8
136.64737	0.9
137.06075	5.1
139.07648	1.1
143.03462	1.0
149.09743	5.7
161.04552	0.8
165.05606	1.0
173.09682	3.9
189.09219	1.3
191.10777	29.8
235.09727	1.1
350.00790	0.9
415.16107	5.3
457.17133	100.0
458.17453	7.4
478.91199	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03448	60.2
59.01378	100.0
61.98833	2.0
67.80366	0.7
69.27956	5.3
71.01381	28.2
72.99312	1.1
73.02943	8.1
78.95918	0.9
81.03479	1.7
83.01376	3.6
85.02950	13.3
87.00896	1.4
89.02494	1.1
93.03468	1.0
95.01430	2.1
96.96007	2.3
97.02976	0.8
99.00873	3.4
99.04517	81.2
100.04852	1.0
101.02436	28.0
102.05654	1.3
106.05910	0.7
109.02896	0.7
113.02442	11.1
113.03160	0.9
115.00354	0.7
118.87540	0.8
125.02442	40.5
126.02762	0.9
135.04500	1.5
143.03479	3.6
159.03020	2.0
161.02492	1.3
161.04544	15.8
163.04031	1.0
165.09213	10.2
173.04597	1.8
175.05101	0.8
339.14603	2.7
357.15527	20.5
358.16071	1.0
399.16592	17.8
439.19943	3.2
457.20697	5.2
501.19736	16.1
501.27499	1.1
502.30023	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.4
61.98823	0.6
66.38850	0.3
69.24758	0.3
69.56931	2.0
71.01411	0.4
78.95899	11.2
85.17426	0.3
96.96959	0.8
152.99574	13.8
168.00684	1.1
171.00658	0.8
210.85858	0.3
224.03299	3.2
231.21349	0.4
241.05829	0.3
242.04295	2.6
259.20587	0.7
264.72824	0.3
275.19989	0.8
277.21704	100.0
278.22037	5.6
299.40829	0.3
357.95212	0.3
502.25729	28.7
503.26059	2.4
527.94342	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.68252	3.2
78.95903	1.3
117.65827	0.6
128.07376	0.6
151.63402	0.6
152.99678	0.7
202.48103	0.7
277.21616	1.0
340.00525	0.8
413.57806	0.7
502.28223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
59.98504	0.0
61.98820	0.0
63.23352	0.0
69.78341	0.1
71.01362	0.2
78.95899	6.8
83.05023	0.2
96.96951	0.1
97.06567	0.0
99.04521	0.0
113.06084	0.0
127.07640	0.2
141.09267	0.1
143.30783	0.0
152.99573	1.1
167.10793	0.0
168.04297	1.7
171.00641	0.2
181.16075	0.0
182.13194	0.0
197.11836	0.0
205.19659	0.2
214.12245	0.0
224.06912	1.2
225.07220	0.0
231.21188	0.2
233.15442	0.1
233.22728	0.4
242.07973	3.3
243.08336	0.1
245.04292	0.6
256.26443	0.0
259.20587	0.5
275.20105	0.6
277.21683	100.0
278.22018	4.9
278.25229	0.0
502.29355	10.8
503.23880	0.2
503.30099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.00583	0.8
59.01379	2.2
61.98824	0.5
69.35823	1.1
69.36241	1.4
71.01376	0.5
71.05012	0.8
72.04540	0.4
73.02939	0.5
74.02469	0.4
75.42825	0.3
84.04552	2.5
85.02928	0.5
87.04518	1.0
95.01344	0.3
97.06580	0.9
98.20658	0.8
100.04018	0.4
102.05608	13.3
114.09250	1.1
121.10217	1.6
123.08160	0.5
125.09702	0.6
126.96852	0.4
128.03539	29.7
135.04457	0.4
139.11304	1.2
141.12860	0.5
146.04605	3.1
157.12331	0.9
169.12256	1.0
184.13472	0.5
185.11786	1.6
186.40706	0.4
196.00153	0.4
198.18629	4.2
215.12865	5.5
226.18115	2.4
256.19232	0.6
307.22842	0.5
316.85367	0.4
325.23853	2.0
337.23743	0.6
343.24875	5.3
344.25064	0.5
348.87680	0.4
355.24838	4.1
371.24454	0.9
373.25916	40.8
374.26413	2.1
374.30206	0.3
378.50391	0.4
428.30176	1.8
429.30280	0.4
440.30170	0.6
456.29727	0.4
458.31244	6.5
459.22449	0.4
459.31888	0.6
484.28949	3.9
502.30219	100.0
503.30481	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	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.2
58.87590	0.7
59.01377	100.0
60.01741	0.9
70.31613	0.7
70.63704	1.9
71.01382	18.9
73.02949	17.3
83.01387	5.5
83.05032	2.3
85.02957	4.0
89.02441	8.2
91.15558	0.7
95.01386	0.8
95.48423	0.9
96.96043	1.6
99.00886	0.9
101.02442	16.1
109.06614	1.4
113.02441	11.0
119.03493	2.9
123.08177	3.0
125.06103	2.5
131.03543	1.9
133.02788	0.7
135.08156	1.4
143.03491	1.5
149.04564	2.1
151.07663	2.6
152.47919	0.8
153.09203	1.3
161.04578	7.5
161.09827	0.8
163.07663	1.7
175.11314	1.4
175.26309	0.8
179.05682	2.1
179.10770	0.7
191.05655	0.8
191.10759	1.7
193.12386	1.2
201.09229	1.0
203.05629	1.0
203.10814	1.4
209.11858	1.1
211.13351	2.5
221.06694	0.8
221.11856	7.2
244.47688	0.8
255.12326	4.0
383.17233	1.8
399.16849	2.2
413.18655	1.3
417.17880	3.3
443.19583	1.3
459.18710	18.2
460.18875	0.9
470.72784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14551	0.9
55.01862	1.1
56.32348	0.9
57.03444	1.4
58.00577	0.9
59.01377	100.0
69.03442	0.8
71.01381	30.3
71.26768	1.7
72.99289	1.6
73.02944	30.9
83.01384	9.7
85.02946	6.0
87.23127	0.9
89.02438	13.4
90.13079	0.9
95.01395	1.2
96.96011	2.6
101.02438	33.1
113.02429	11.3
119.03510	5.4
123.08184	1.5
125.02409	1.3
129.26787	0.8
131.03465	2.5
135.04535	1.0
139.07640	2.6
143.03491	3.8
149.04568	4.4
155.03494	1.2
161.02492	1.9
161.04561	9.1
164.77658	0.9
168.07896	1.4
175.11250	1.9
179.03264	1.1
179.05624	3.4
187.57672	0.9
191.10703	1.8
193.12231	2.3
221.11847	2.5
225.70122	1.1
237.11357	2.4
239.12936	1.3
281.13922	1.5
383.17010	3.3
417.17755	7.6
443.19101	1.6
459.18649	45.2
460.18961	3.2
503.13678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03447	1.2
58.00617	0.6
59.01379	100.0
62.95306	0.5
66.00864	0.5
69.03446	0.6
69.42973	3.8
70.17650	0.7
71.01382	13.8
72.92034	0.7
72.99341	0.8
73.02945	16.4
75.85313	0.6
83.01401	3.2
85.02956	3.9
87.00877	1.2
89.02437	4.7
95.01377	1.1
95.05020	0.9
96.96045	0.8
97.02982	1.6
99.00873	1.2
101.02444	14.2
101.35297	0.6
111.04582	0.6
113.02442	6.2
119.03525	2.4
121.06623	0.7
123.08206	0.8
125.02466	0.7
125.06074	0.8
135.04558	0.7
143.03499	2.0
149.04576	1.7
151.07692	0.9
159.08186	0.7
161.04575	5.5
163.07707	2.1
179.05692	1.2
181.08786	0.9
191.10802	1.4
193.12372	1.1
203.10809	0.9
209.11914	1.2
221.06676	1.1
221.11916	1.1
226.60831	0.6
237.11354	0.7
246.39716	0.6
253.08887	0.7
255.12552	0.7
345.19266	1.6
355.17749	0.9
373.18832	2.4
383.17166	1.3
417.17587	3.1
443.19467	1.9
455.04532	0.6
457.88019	0.6
459.18729	20.6
459.24817	1.2
460.19128	1.9
503.15839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30557	0.4
59.01379	100.0
60.01717	0.7
71.01383	5.0
71.50188	0.6
73.02949	6.2
78.52863	0.5
78.95905	0.6
83.01389	1.6
84.05894	0.4
85.02962	1.2
87.00911	0.5
89.02454	1.7
96.95980	2.1
96.96949	0.7
99.00901	0.6
101.02456	5.8
113.02478	2.7
119.03540	0.8
123.04494	0.7
123.08178	0.5
125.09743	1.2
131.03583	0.6
135.04558	0.6
135.08199	0.5
143.03505	1.0
149.04543	0.7
160.44186	0.5
161.04535	2.4
175.11440	0.4
179.05566	0.5
182.33246	0.5
187.09729	1.0
191.10802	1.3
203.05609	0.5
203.10826	1.4
212.13345	0.4
217.13130	0.4
221.11795	2.6
226.53638	0.5
239.12881	0.9
240.61143	0.4
252.81319	0.5
383.17056	1.1
401.17975	0.7
417.17377	0.9
443.19031	2.3
459.18591	3.0
503.15341	1.2
503.21887	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23257	0.9
69.07918	1.0
69.27737	6.9
69.97386	0.9
78.06156	0.9
78.95899	45.1
85.04655	1.0
96.96951	3.8
121.44682	0.8
135.58292	0.9
145.85704	1.0
150.97917	1.0
152.99580	55.9
171.00630	16.3
224.06917	1.6
227.03329	1.6
231.18944	1.7
231.21165	32.1
232.21454	1.9
245.04295	100.0
246.04562	1.4
275.20132	43.9
276.20483	2.3
277.21750	5.0
278.22009	12.5
359.31073	0.9
400.61731	0.9
503.23962	37.0
503.29919	3.6
504.24347	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	504.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
58.00585	0.4
59.01388	2.4
61.98826	1.6
69.03445	0.4
69.38007	2.2
71.01393	0.7
72.04532	0.4
73.02946	0.6
74.02478	0.4
82.02937	0.3
83.05053	0.4
84.04562	1.9
85.02920	0.3
87.04515	1.2
96.96029	1.9
97.06573	0.5
98.20607	0.5
99.04521	0.5
101.02443	0.5
102.05608	12.1
109.06577	0.8
111.04498	0.4
111.08125	0.4
113.09742	0.5
114.09231	1.3
119.05019	0.4
119.38292	0.3
123.04565	0.6
123.08187	1.6
127.07735	0.3
128.03542	28.7
129.03889	0.6
129.09256	0.3
133.03027	0.3
135.04535	1.0
135.08173	0.9
138.06882	0.5
139.11253	0.6
141.09280	0.4
142.46941	0.3
146.04608	2.4
153.09180	0.8
156.13940	0.6
157.12337	1.0
161.02469	0.5
163.00497	0.3
169.12338	1.1
184.13458	0.4
185.11819	1.3
198.18629	3.5
214.12216	0.3
215.12866	0.9
226.18109	2.6
251.20152	0.7
255.03267	0.3
256.03333	0.4
256.19186	0.5
311.22299	0.7
327.21643	0.3
327.25409	0.8
329.23242	2.7
339.25504	0.4
357.26410	5.8
373.25784	1.3
375.27496	47.5
376.27759	2.5
442.31894	1.0
460.32819	9.1
461.32776	0.7
486.30722	4.5
487.31281	0.4
504.31778	100.0
505.09378	0.3
505.26642	0.6
505.32336	6.9
533.07440	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23416	0.1
57.03437	0.1
58.74223	0.1
59.01389	0.5
61.98838	0.1
63.02390	0.7
65.00316	1.3
69.21922	0.3
69.22331	0.8
71.01350	0.2
73.02942	0.1
81.03430	0.1
83.01377	0.9
83.16989	0.1
91.01903	0.3
93.03463	0.3
96.96020	0.2
98.20650	0.3
99.92593	0.1
101.02438	0.1
107.00723	0.2
107.01386	2.5
108.02174	1.7
109.02938	1.5
115.92139	0.2
116.92844	0.2
119.01379	0.3
120.02178	0.1
121.02956	2.0
123.04523	0.2
124.01623	0.4
125.02404	0.3
135.00882	1.1
135.04498	0.2
137.02414	0.2
147.00874	0.3
148.01654	1.7
149.02402	0.4
151.00362	10.5
152.01033	0.3
153.01897	0.3
157.03044	0.1
157.06595	0.2
159.04477	0.3
161.02464	0.3
163.00368	2.7
163.04007	0.1
164.01154	1.1
165.01968	0.2
167.04927	0.2
169.01410	0.3
171.04494	0.3
174.03207	0.3
175.03986	0.3
178.99847	5.1
183.04472	0.5
185.02441	0.2
185.06122	0.2
187.03960	0.6
188.04767	0.1
190.02734	0.2
190.99850	0.5
192.00632	0.5
193.01289	0.1
198.03212	0.4
199.03922	1.0
201.01915	0.4
201.05545	0.3
203.03487	0.5
208.96022	0.1
211.04001	1.3
212.04431	0.1
213.01871	0.3
213.05559	0.2
214.02612	0.2
215.03517	0.9
216.04185	0.6
226.02676	2.0
227.03497	3.6
228.04047	0.4
229.01360	0.3
229.04941	0.6
239.03419	0.3
242.02313	0.2
243.02953	12.7
244.03394	0.7
245.04485	1.3
254.02182	2.5
255.02960	29.2
256.03394	1.3
257.04562	0.2
266.02216	0.2
271.02444	62.6
272.02966	4.2
273.03967	1.1
283.02411	1.4
299.01971	1.5
300.02710	100.0
301.03448	40.8
302.03818	1.9
343.04459	0.5
393.17978	0.1
445.07950	0.3
461.20001	0.2
463.08737	3.2
464.09064	0.2
505.09821	76.1
506.10156	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	505.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01415	0.9
63.02429	0.4
65.00375	1.0
65.38844	0.4
66.52232	0.5
69.33975	2.7
69.34381	0.9
71.01418	0.8
81.03477	0.4
81.81765	0.5
83.01437	0.8
86.32942	0.5
92.79746	0.4
94.35876	0.5
95.01492	0.5
101.02509	0.5
107.01379	3.1
108.02251	2.1
109.03029	1.9
113.02496	0.7
119.01425	0.5
121.03038	1.8
123.00895	0.7
123.04602	1.8
125.02489	1.0
133.03079	0.7
134.03716	6.4
135.00937	1.1
137.02502	1.4
145.07433	0.5
145.67998	0.4
148.01724	1.5
149.02577	0.5
149.06145	2.0
151.00359	11.8
152.01103	2.7
153.02022	1.3
153.61176	0.5
161.02518	0.9
163.00327	3.2
167.03488	4.0
167.04657	0.4
175.03990	0.6
178.02711	5.0
178.99860	4.8
187.04076	1.0
190.99971	0.5
192.04314	0.6
193.05049	13.2
193.06808	0.8
198.03127	0.8
199.04086	1.3
201.01947	0.6
211.04008	1.3
216.04295	0.6
218.37491	0.5
226.02705	4.4
227.03488	4.1
228.04361	0.7
229.04985	0.6
243.02948	18.2
244.03485	0.7
245.04517	1.1
254.02132	5.2
255.02971	27.2
256.03357	1.3
271.02454	82.1
272.03012	4.7
273.04010	0.8
283.02356	1.1
297.06070	1.0
299.01898	1.3
300.02719	100.0
301.03470	38.9
301.06281	0.5
302.04025	1.3
311.07593	3.7
312.08411	0.5
343.04437	0.6
463.08795	2.3
505.09528	85.7
506.09738	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	505.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50813	0.2
53.99999	0.2
55.83724	0.3
59.01382	1.8
61.98834	1.4
69.16810	2.7
72.99308	0.7
73.02930	0.3
78.95893	1.0
83.01345	0.3
84.23722	0.3
89.75392	0.3
93.03481	0.5
98.19928	0.5
107.05029	0.3
108.02164	0.3
109.02946	3.8
109.06592	1.8
110.47102	0.2
117.03480	0.5
121.02957	1.8
123.04570	0.3
126.34954	0.3
132.02138	0.4
133.02959	11.6
134.03745	4.9
135.04512	4.2
137.02444	4.9
139.04008	1.8
145.03008	1.5
149.02432	3.6
150.03188	2.2
158.03737	0.4
159.04456	0.7
161.02435	33.7
162.02789	0.6
173.02386	0.5
174.03183	0.9
178.02699	1.5
179.03502	3.9
180.05910	0.3
193.05046	100.0
194.05380	2.3
197.06023	0.3
201.01906	0.5
202.02728	0.4
203.07011	0.4
209.06075	0.4
209.11804	0.7
211.07617	1.2
224.04695	0.3
237.05536	0.6
238.06308	0.5
239.07109	1.0
249.05679	0.3
250.06355	1.8
254.05823	0.3
257.08237	0.4
264.84729	0.3
266.05798	0.8
267.06601	23.6
268.07019	1.4
283.06113	2.9
291.19757	0.9
300.02567	0.4
309.20587	1.4
311.05591	16.6
312.06003	1.1
313.07175	0.6
325.07230	1.7
335.79575	0.3
355.08347	0.4
389.30676	0.5
443.24667	0.4
461.32794	1.2
505.09998	0.3
505.24597	0.8
505.31665	4.3
506.25143	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	505.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.1
61.98841	0.8
66.20820	0.2
69.57532	1.2
71.03366	0.2
72.99314	0.6
74.05278	0.2
78.95916	0.6
79.14649	0.2
93.03434	0.9
95.01379	0.4
95.19891	0.2
105.03466	0.4
109.02950	3.0
111.00883	0.2
117.34010	0.2
121.02960	2.3
123.04546	0.2
132.02168	0.7
133.02956	13.9
134.03755	4.6
135.04544	3.6
137.02437	5.7
139.04027	1.9
145.02930	0.9
148.05186	0.2
149.02441	5.7
150.03229	3.3
151.03970	0.2
159.04498	0.4
161.02440	47.4
162.02785	1.3
163.04025	0.2
173.02452	0.4
174.03238	0.8
178.02715	1.9
179.03502	4.0
183.04482	0.2
187.07635	0.4
193.05048	100.0
194.05392	2.1
197.04384	0.2
197.06082	0.4
201.02074	0.3
209.06076	0.3
211.07562	0.4
215.96777	0.2
221.05998	0.3
222.06874	0.2
225.05730	0.2
237.05467	0.2
239.07053	0.6
248.04771	0.3
249.05420	0.5
250.06355	0.9
254.05685	0.2
255.06502	0.3
257.08179	0.5
265.05032	0.4
266.05801	0.4
267.06607	16.6
268.07108	0.6
283.06207	1.5
299.12717	0.2
309.20731	0.5
311.05591	10.6
312.06003	0.5
325.07108	0.9
355.08194	1.6
443.24420	0.2
505.10559	0.2
505.24506	0.7
505.31363	0.5
506.24890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79752	0.8
55.01852	1.0
59.01373	5.0
63.30753	0.9
67.01873	1.5
69.27219	7.2
71.01366	7.4
73.02927	2.2
77.29385	0.9
78.83118	0.9
81.03452	2.5
81.45139	0.9
83.01376	1.6
85.02959	3.3
87.00881	1.4
91.01901	2.7
95.01398	2.4
96.99316	1.1
101.02435	5.2
107.01375	7.9
108.02177	8.7
109.02948	7.7
111.00863	1.6
113.02461	2.3
114.84657	1.1
121.02958	2.8
123.00858	6.1
123.04537	12.2
124.01648	1.3
125.02457	1.9
133.02950	1.5
133.37234	0.8
134.03743	60.6
135.04622	1.1
137.02455	9.9
139.04021	3.0
149.02411	1.0
149.06076	23.3
150.03226	2.1
151.00369	12.0
152.01147	13.9
153.01927	9.6
161.02412	2.1
163.00299	1.2
165.93591	0.8
166.02719	1.9
167.03487	35.4
171.10280	1.0
175.51099	0.8
178.02711	46.7
178.99860	2.0
179.03346	2.0
181.04988	1.0
182.49326	0.8
192.04285	4.1
193.05040	100.0
194.05405	3.4
195.03050	1.5
207.06612	2.5
221.04575	1.2
227.03430	2.0
228.52541	1.0
243.02985	7.6
255.02945	11.4
271.00085	0.8
271.02448	35.0
272.03110	2.5
296.05365	4.3
297.06140	10.3
300.02725	39.1
301.03464	17.4
301.06866	1.5
302.03748	1.0
311.07693	30.7
312.08026	1.4
461.14487	1.3
505.13245	91.1
505.26233	5.3
506.14432	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	3.2
59.01115	0.8
59.01377	10.3
69.92864	0.7
71.01057	0.7
71.01377	7.2
71.51785	1.5
72.99304	1.3
73.02925	3.1
81.03445	1.9
83.01398	0.8
85.02930	2.6
91.01897	1.0
93.03438	1.6
95.01363	1.9
96.95982	1.4
99.04487	1.1
101.02423	4.6
102.05592	0.9
107.01364	2.2
107.98823	0.7
108.02164	3.7
109.02243	1.0
109.02949	16.8
109.62399	0.7
111.00861	1.7
113.02467	3.5
114.51768	0.9
121.02948	2.5
123.00868	2.9
123.04515	9.6
125.02410	2.7
128.03496	1.9
133.02950	6.7
134.03735	90.5
135.04283	1.6
137.01459	1.3
137.02434	15.5
137.09718	1.3
139.03973	4.6
149.06075	27.8
150.03200	2.0
151.00314	5.5
151.32137	0.7
152.01146	5.6
153.01929	28.4
155.10764	10.1
161.02449	1.0
167.03481	19.7
173.04579	0.9
177.01953	2.0
178.02702	52.7
179.03419	1.6
179.10689	0.9
192.04276	17.3
193.05038	100.0
194.05389	2.9
195.02942	1.3
199.09749	12.6
207.06650	5.5
255.03041	1.0
269.06409	0.8
271.02725	4.0
296.05414	2.9
297.06134	40.3
298.06442	2.0
300.02695	5.1
301.03445	2.4
301.06702	0.7
305.08783	2.3
311.07690	50.0
312.08170	2.0
329.90747	0.8
343.21228	1.7
361.14981	1.7
375.27524	2.5
376.28101	1.2
390.26685	0.8
449.87756	0.8
461.14597	1.4
461.20367	3.0
473.10956	2.6
504.31918	3.0
505.13666	53.2
505.26572	5.1
505.31982	1.0
506.13745	4.1
527.10767	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94444	1.1
57.03446	40.6
59.01379	100.0
60.01721	3.1
61.01818	1.8
61.70221	1.1
61.98835	5.6
71.01375	11.5
71.51788	1.7
73.02945	11.8
75.00860	1.6
77.03980	2.8
78.95914	2.6
81.03464	3.5
83.01392	3.4
85.02932	2.9
87.00873	2.0
88.98795	2.2
89.02447	7.2
93.03466	3.7
95.01339	1.2
95.05027	13.9
96.96014	6.6
97.06577	1.1
99.00873	1.4
99.04520	41.8
101.02440	19.7
105.03460	29.8
107.01389	4.2
113.02470	7.2
113.05344	1.3
116.92855	9.5
117.01938	1.4
119.03524	2.0
121.02966	8.0
123.04523	8.5
125.02444	23.9
139.04071	1.3
141.05579	1.3
143.03493	2.7
149.02435	91.0
150.02686	1.8
152.99573	3.8
161.02425	5.1
161.04535	8.0
171.10243	7.6
176.04773	3.0
179.03497	6.4
179.05602	2.9
181.05058	55.8
182.05330	1.4
194.05836	7.5
205.12408	1.2
209.08179	31.1
239.12900	1.8
241.01111	1.1
263.07718	1.5
307.96729	1.2
309.01016	1.2
323.09723	1.4
355.17770	1.5
361.11163	3.0
385.18765	3.5
403.12650	1.9
403.19772	1.9
445.20767	3.0
461.20020	4.0
487.15811	3.9
493.52426	1.2
505.15994	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	505.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93730	0.6
58.00595	0.8
59.01379	100.0
69.39268	4.1
71.01380	15.0
72.99326	0.9
73.02950	10.5
83.01393	3.4
85.02952	4.4
87.00870	1.2
87.77661	0.7
88.98822	0.7
89.02440	8.7
95.01434	1.4
99.00903	1.0
101.02440	13.9
109.73702	0.5
113.02444	10.2
119.03498	3.0
123.44667	0.8
125.02431	0.7
126.69497	0.6
131.03471	0.8
138.53268	0.7
143.03505	1.1
161.04555	5.1
165.04347	0.6
166.76950	0.6
179.05638	0.8
181.05177	0.8
195.13899	1.1
213.14958	1.6
223.13422	1.3
233.71603	0.7
234.83519	0.6
357.19226	11.8
358.19449	1.2
375.20178	9.5
385.18732	1.7
419.19162	1.3
461.20285	19.4
462.20676	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.9
57.03449	25.3
59.01377	35.2
60.12109	1.0
61.98811	1.6
69.03444	1.5
69.26128	8.0
71.01382	16.0
72.99304	1.3
73.02950	6.2
81.03442	4.8
83.01388	3.7
85.02949	7.6
87.00867	2.8
89.02433	7.1
93.03433	1.2
95.01379	1.4
96.96030	2.3
99.00864	1.4
99.04521	4.7
101.02441	17.0
109.02988	1.3
113.02433	5.6
119.03534	1.9
123.04514	5.5
125.02409	2.0
133.02925	1.1
135.04492	1.9
137.02423	2.2
139.03876	1.1
149.02492	1.3
151.03947	0.9
161.02425	1.2
161.04607	1.8
167.03435	1.7
173.04561	2.5
177.01909	1.3
178.02838	1.1
179.03551	1.2
181.12372	4.9
191.10866	1.0
199.13393	8.5
209.10141	0.8
209.11818	5.8
211.02370	1.9
215.06795	0.9
241.01581	1.1
249.69559	0.9
271.02298	1.6
288.28497	0.9
293.10376	1.4
300.02582	2.2
343.17603	6.8
344.18271	1.4
361.18646	100.0
362.18777	5.6
386.34686	1.0
403.19681	50.0
403.52454	1.1
404.19827	2.7
443.22751	9.2
444.23019	1.1
445.20813	1.5
461.24094	7.6
505.10754	1.7
505.22546	19.5
505.33511	2.1
506.23364	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03014	0.5
57.03446	50.4
59.01377	11.0
59.21241	0.5
61.82372	0.5
69.23448	0.5
71.01373	5.3
71.05027	1.7
71.14829	0.5
72.99289	0.8
73.02937	6.1
79.05527	0.9
79.72588	0.6
81.03462	2.7
83.01379	2.5
85.02944	1.3
87.04497	1.7
89.02424	0.7
96.96029	0.6
97.06571	1.2
99.04517	38.2
100.04887	0.7
101.02439	14.5
109.02936	0.8
113.02452	2.1
113.06058	0.9
114.81806	0.6
119.03532	0.7
119.05022	1.2
123.04545	4.7
125.02440	26.9
135.04460	1.3
139.11281	1.8
143.03458	3.7
153.12888	0.8
155.03560	0.6
155.10777	0.9
161.04539	2.4
173.04480	0.7
176.53882	0.7
176.55431	0.7
177.01921	1.6
185.15428	2.7
199.13379	100.0
200.13715	3.9
203.05588	1.7
213.14935	6.1
227.21994	0.7
241.14476	4.7
247.60669	0.6
253.08598	0.6
257.78055	0.5
271.02457	0.8
300.02771	1.4
301.03598	0.6
305.08728	3.4
352.15387	0.6
361.18607	2.2
370.70087	0.6
402.05560	0.6
403.19656	0.9
477.97336	0.6
505.21939	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	505.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17246	0.3
56.15305	0.3
57.03453	1.8
59.01379	100.0
60.01711	0.9
69.71671	1.9
71.01383	7.1
73.02959	4.7
83.01403	1.3
85.02927	1.8
89.02447	2.2
95.01354	0.5
98.19988	0.5
99.00898	0.3
99.04539	0.7
100.47987	0.3
101.02451	5.7
102.63731	0.3
113.02448	5.7
119.03493	0.8
125.02470	0.6
131.03519	0.4
143.03522	0.9
149.02461	1.3
149.04524	0.7
159.08243	0.4
161.04529	2.3
170.70869	0.3
175.11285	2.4
177.47446	0.4
179.05721	0.6
181.05072	0.6
200.81248	0.4
203.05745	0.4
223.13396	2.5
241.14542	0.7
246.27899	0.4
354.76822	0.4
385.18680	9.6
386.19077	0.4
403.19489	2.0
445.20724	4.2
461.20544	1.2
505.23584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
65.38090	0.4
66.96137	0.4
67.26978	0.4
69.94163	0.8
69.94548	1.0
71.52293	0.3
77.68300	0.3
78.95904	11.2
81.81709	0.4
93.06443	0.4
96.96972	1.0
113.06137	0.4
123.06106	0.4
143.91649	0.4
152.99576	16.7
153.00827	0.8
171.00613	1.6
227.03271	2.9
233.22678	0.7
245.04254	1.6
269.82053	0.4
277.21701	100.0
278.22049	5.3
459.52985	0.5
466.16183	0.5
505.25677	40.6
506.26276	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	505.3012
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
57.03436	1.8
59.01373	8.5
61.98829	23.9
67.01893	1.1
69.03432	2.4
70.07690	4.0
71.01379	16.0
72.99304	2.9
75.00866	11.6
76.25589	1.1
78.95893	2.0
83.01378	1.4
85.02949	14.9
87.00869	3.8
88.20365	0.9
89.02432	3.5
95.01364	5.6
96.96010	2.4
99.00873	13.7
103.00365	1.9
111.00890	1.5
113.01722	1.7
113.02452	22.3
117.01936	1.3
131.03508	1.1
131.43834	1.1
133.02962	1.0
139.00388	1.2
153.91203	0.9
157.01413	1.4
175.02505	0.9
194.89771	1.1
205.07172	1.4
223.08258	1.6
233.43793	1.1
249.06143	11.9
255.23273	77.5
256.23618	3.4
267.07199	4.1
277.21600	1.5
279.23364	2.1
280.23538	2.1
471.65692	1.1
505.30118	100.0
506.30490	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	505.3171
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
56.70221	0.3
57.03447	6.8
59.01372	2.5
61.98821	1.2
69.03466	1.9
71.04987	0.4
71.06970	0.4
72.99300	1.1
73.15467	0.3
78.95893	0.7
80.02675	0.4
81.03503	0.4
91.05489	0.5
93.03499	0.4
107.05030	2.6
109.06590	44.2
110.06923	1.0
119.04990	0.4
133.02959	1.4
135.04518	1.2
145.02832	0.4
161.02419	5.2
162.02727	0.9
173.04544	0.4
175.03995	0.4
179.03465	0.6
181.04990	0.6
187.07663	0.4
191.85048	0.3
197.04469	0.6
202.06319	0.4
210.73093	0.4
273.22128	0.7
303.70602	0.4
311.23660	0.6
313.25342	7.1
325.25320	0.7
327.26895	2.0
329.24631	0.6
341.28476	6.0
343.26526	0.6
355.29953	1.5
357.27936	1.5
367.26279	2.1
382.87418	0.4
389.30606	8.6
390.31082	0.7
443.31653	4.3
461.32690	35.7
462.32990	2.4
492.64755	0.6
505.31680	100.0
506.24673	0.8
506.31985	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	506.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.1
61.98820	1.1
70.40760	1.5
70.41126	1.2
71.01381	23.4
72.00899	11.2
72.61520	0.7
72.99316	1.0
73.02930	1.5
83.01406	0.7
85.02936	3.8
87.00874	2.4
88.98811	1.1
89.02444	33.7
95.01381	1.0
101.02442	14.4
102.06785	0.8
102.16922	0.9
103.05530	1.1
113.02452	11.5
119.03500	13.0
120.81671	0.8
131.03409	1.5
143.03510	2.8
146.06079	0.7
147.04515	42.0
148.04837	1.1
149.04573	1.3
161.04565	4.2
164.07156	85.9
165.07477	2.6
171.89680	0.7
179.05591	19.0
341.10861	100.0
342.11136	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	506.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35894	2.9
60.18182	3.1
61.98832	100.0
70.73943	6.2
164.88542	3.2
305.49356	3.5
396.72098	3.5
456.29623	3.3
530.90619	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	506.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04984	1.0
57.03425	2.6
59.01378	5.9
61.98829	4.6
69.03435	1.0
70.74574	2.1
71.01384	1.8
71.05005	1.4
72.99291	1.1
74.45802	0.9
75.14458	0.9
78.95904	42.8
83.01383	6.3
83.05011	2.8
93.03439	1.1
95.05013	1.8
97.06594	2.7
108.02096	1.1
115.31649	0.9
122.00100	1.8
123.04552	1.7
123.95095	1.0
125.06068	1.1
125.09708	6.1
133.02969	2.4
134.03523	1.0
135.04539	1.9
137.09734	1.5
139.11296	4.6
140.01196	13.4
141.09242	1.0
145.02968	2.8
151.11282	4.1
152.99550	3.6
161.02435	8.1
162.02750	3.0
163.11304	3.4
165.12845	10.2
167.10762	4.1
167.69041	1.0
173.04559	1.8
173.29721	0.9
174.01031	0.9
177.12798	1.2
179.03563	1.4
179.10791	1.4
179.14548	1.0
181.12311	4.6
183.13881	1.6
191.10762	4.2
193.05069	5.9
193.15936	2.4
194.05359	3.1
196.03767	20.6
197.04420	1.0
207.10146	1.2
209.11812	41.4
211.13380	1.5
213.01744	1.0
213.37317	1.0
214.04871	5.8
247.20699	7.9
265.21832	2.1
273.18631	2.5
275.20200	1.4
281.21210	1.4
291.19644	36.9
292.20010	2.4
293.21167	3.8
309.20706	34.6
310.20880	2.3
382.80109	1.0
489.22714	4.3
506.25177	100.0
507.25436	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	506.252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	4.7
57.26183	1.6
59.01383	9.0
60.18670	1.5
61.98813	5.7
63.00948	1.4
69.03452	2.1
71.00732	1.8
71.01389	2.8
71.06313	2.0
71.06657	3.0
72.99316	2.6
78.95897	37.1
80.02647	1.6
81.03462	5.1
83.01369	9.4
83.05016	6.2
95.05038	3.4
97.06570	4.5
109.02909	3.6
109.06593	6.4
123.04527	4.3
123.08167	4.0
124.14251	1.5
125.06049	2.9
125.09719	10.2
127.11304	3.1
133.02985	8.4
134.03754	2.6
135.04501	4.5
137.02441	4.0
137.09734	4.1
139.11279	5.0
140.01164	9.2
141.09273	1.9
149.02477	2.0
150.03069	1.8
151.11259	3.3
152.99590	6.5
155.09541	1.7
155.10785	3.7
161.02473	22.2
162.02785	13.6
162.10501	1.8
163.11243	9.4
165.12859	17.6
167.10799	4.4
168.92662	1.4
171.10251	1.6
179.03477	4.2
179.10767	2.1
181.12314	10.4
191.05690	1.5
191.10773	6.5
193.05038	41.7
193.12143	1.7
193.15907	2.7
194.05383	25.6
194.06998	2.8
196.03772	6.7
197.04387	1.6
209.11812	84.8
210.12212	2.7
210.61229	1.8
214.04834	13.5
247.20691	10.1
263.20169	2.0
265.21729	4.8
267.06586	7.5
268.06943	9.0
273.18741	2.8
281.21210	2.7
291.19656	72.7
292.19965	4.0
309.20709	100.0
310.21060	5.9
311.05661	5.8
312.05893	6.5
327.21808	2.5
448.02979	1.7
462.33139	3.5
506.25220	89.9
506.31976	9.6
507.25629	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	507.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.4
57.03460	0.5
58.52452	0.4
59.01380	10.1
61.98824	1.1
63.25819	0.5
65.00323	0.9
67.01872	1.2
68.99791	0.8
69.53513	3.0
71.01377	4.5
73.02944	1.5
81.03465	1.5
82.95429	0.7
83.01390	1.1
85.02953	1.6
88.98811	0.5
89.02473	0.4
91.01894	6.4
93.03465	1.7
95.01395	1.6
95.05034	1.3
97.02953	1.9
97.89008	0.4
99.04517	0.8
101.02431	2.4
101.99712	0.4
107.01392	2.7
108.02174	4.8
109.02958	1.7
111.00884	1.8
113.02457	2.2
115.00355	0.8
116.92860	2.3
119.05009	0.6
120.88165	0.4
121.02972	5.8
122.03753	1.3
123.00909	3.1
123.04521	100.0
124.01717	0.9
124.04875	1.6
125.02442	3.2
127.03986	0.5
130.00423	0.5
130.85568	0.5
132.76466	0.4
133.02950	1.6
134.03697	0.5
135.04517	1.2
137.06026	0.4
145.03018	0.6
151.00360	5.0
151.04001	3.0
152.01160	8.2
152.04785	3.9
153.01964	1.8
153.05568	72.4
154.05876	1.3
160.01994	0.5
161.06065	0.6
163.04126	0.4
165.01907	0.6
165.05588	0.6
166.02684	2.4
167.03485	62.7
168.03835	1.4
173.04651	0.4
179.03491	0.5
181.05064	0.7
193.88811	0.4
194.02209	0.8
195.06590	3.4
202.54993	0.5
209.04543	3.4
219.06586	1.1
220.30420	0.5
227.12700	0.9
251.05623	1.8
278.04288	1.1
293.06665	4.1
296.05298	1.1
297.09848	0.7
311.07700	25.2
312.08279	1.0
327.35889	0.5
338.06265	0.6
353.08734	22.3
354.08896	0.6
387.20279	0.6
405.21091	0.5
447.12946	48.4
448.13226	2.7
465.14020	10.4
466.14606	0.5
472.73413	0.5
507.14951	2.6
507.28897	3.5
509.75775	0.5
529.01965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.3
57.03439	4.0
59.01377	61.7
59.65223	1.0
67.01880	2.5
68.99557	1.6
69.72037	5.2
71.01379	15.9
71.21591	0.8
72.99303	2.8
73.02950	7.5
81.03478	2.2
83.01382	2.9
85.02945	5.5
87.00877	1.5
88.98802	2.1
89.02432	2.0
91.01902	3.8
93.03462	1.2
94.99037	0.9
95.01373	3.2
96.99319	1.0
99.04517	2.4
101.02439	11.0
107.01350	4.4
108.02165	10.4
109.02949	17.6
111.00883	2.6
112.30138	0.8
112.98577	2.8
113.02446	5.1
116.57646	1.0
116.92858	1.3
119.05027	6.8
121.02968	4.3
123.00887	5.2
123.04524	21.0
124.01640	4.6
125.02494	4.3
133.02950	1.2
134.03717	1.6
135.04530	24.3
136.05296	8.0
137.02425	2.2
139.11218	1.6
147.00830	1.6
149.02385	1.5
150.03198	2.0
151.00366	9.2
151.04022	5.2
151.07655	9.3
152.01143	14.2
153.01923	31.5
161.02463	6.6
161.04506	2.2
162.03165	1.3
162.97163	0.9
163.03996	2.6
166.02696	2.2
167.03488	52.5
168.03818	1.7
173.04506	1.1
175.03484	0.9
175.05356	0.8
175.15306	0.9
177.01990	0.9
179.03508	3.3
181.05028	2.5
181.12401	1.0
183.10255	3.4
194.05867	1.5
195.06615	81.0
196.06995	1.7
209.08197	1.9
209.11743	1.2
223.06880	0.9
227.12906	3.5
236.47566	1.0
240.07326	1.4
242.37253	0.8
251.05482	1.0
273.03024	1.0
296.05292	7.5
297.06119	16.8
300.02591	1.5
311.07712	99.9
312.08014	4.1
323.10013	1.2
359.07559	1.5
400.73233	0.9
424.66534	1.0
475.12518	7.3
489.13965	1.3
489.23352	1.6
507.15009	100.0
507.24411	20.5
508.15637	9.1
508.23065	1.3
508.25455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.4
59.36898	0.4
60.09547	0.5
60.99281	0.5
71.01379	1.5
71.50505	0.6
72.99310	1.1
75.00870	6.4
85.02951	0.6
87.00873	19.3
88.98804	1.9
89.02437	1.4
92.93314	0.5
99.00879	4.0
101.02441	1.8
103.00375	0.5
105.01932	19.5
117.01962	0.7
119.03494	0.6
129.01944	1.0
135.03004	0.5
147.02986	4.2
153.05707	0.5
162.81461	0.4
163.06120	0.5
165.04034	100.0
166.04416	1.5
191.05550	2.4
193.06076	0.7
194.51140	0.5
259.75507	0.5
341.10828	0.5
455.69113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15193	2.9
56.79420	2.6
57.03433	8.7
57.49287	3.1
58.87625	2.9
59.01073	5.2
59.01378	100.0
61.98854	3.9
62.17787	2.7
62.51914	2.7
69.03407	3.2
69.61874	11.4
69.62307	10.8
71.01375	51.7
73.02946	41.4
80.74275	2.8
83.01403	14.8
85.02961	8.9
88.98804	11.9
89.02439	16.4
96.96002	5.9
98.03701	3.8
99.04556	3.6
101.02444	48.4
112.04041	5.5
113.02441	22.4
116.92823	3.9
119.03468	5.8
121.02939	5.6
123.08195	3.3
124.04024	4.2
126.90552	3.1
131.03539	5.1
135.08157	13.6
139.07674	5.7
143.03462	5.5
149.04559	6.0
153.09209	21.2
161.04558	15.6
166.05077	45.4
179.05539	6.7
184.06125	5.3
191.05618	4.8
193.12427	3.7
199.75313	3.3
211.13374	12.0
235.62874	3.1
241.14476	6.0
264.43808	3.3
301.51663	3.4
324.99881	3.0
341.10712	12.5
403.19611	11.5
421.20059	4.4
463.21698	16.0
508.16351	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	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01378	100.0
60.01691	0.5
71.01379	6.0
71.50487	0.7
71.50872	0.4
73.02947	5.9
83.01387	1.9
85.02969	1.7
89.02454	2.8
95.01403	0.5
96.96033	1.2
99.04537	1.4
101.02442	7.0
108.01123	0.3
108.48891	0.3
113.02443	5.2
119.03535	0.7
134.07402	0.7
135.04546	0.5
137.09702	0.6
139.07704	0.7
143.03516	0.7
149.04630	0.6
149.09720	7.3
149.10867	0.5
153.09227	3.2
161.04585	2.6
167.10765	16.0
180.10466	0.4
209.11847	0.7
217.02983	0.4
221.07007	0.4
225.14902	3.2
243.16003	2.5
387.20251	10.1
388.20801	0.5
405.21210	2.9
447.22327	18.3
448.22842	1.0
475.79614	0.5
522.91199	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03446	2.2
59.01379	88.6
60.01707	0.5
60.99301	0.6
61.60701	0.5
61.98824	0.7
69.58862	0.5
70.04646	0.8
70.04987	2.0
71.01382	10.9
71.04971	0.4
72.99312	1.4
73.02941	4.5
75.00861	0.6
76.97427	0.5
79.95746	0.5
83.01380	2.2
83.05029	0.6
85.02946	5.2
87.00895	1.2
88.98815	4.5
89.02449	3.0
93.03453	1.4
95.01391	0.7
96.95978	0.6
97.86494	0.6
99.00884	1.7
99.04521	3.1
101.02441	11.3
108.02154	0.6
109.02919	1.2
109.06597	1.1
113.02459	4.8
116.92834	1.7
119.03509	1.0
119.05007	1.5
121.02950	1.1
123.04526	1.4
123.08179	0.6
125.02466	0.8
133.02905	0.7
135.04509	2.8
137.02444	0.9
138.44048	0.5
139.04051	2.6
149.02400	0.6
152.01076	0.6
159.03049	1.1
161.02513	2.4
161.04550	4.6
163.03979	1.2
165.12799	0.5
167.03462	1.9
169.64334	0.5
171.10303	0.6
173.04524	1.1
179.03412	1.5
181.05034	0.8
183.10333	0.7
189.12798	1.0
190.02676	0.9
195.06621	1.0
197.04477	0.8
205.05029	0.7
207.13795	2.8
209.10156	0.7
209.11848	6.3
225.14897	5.0
227.12872	22.7
228.13042	1.0
237.09773	6.6
240.07495	5.2
251.12997	0.5
255.02710	0.6
269.13910	2.4
272.02649	0.9
273.02872	0.9
279.10687	2.3
284.03323	0.7
287.14975	1.0
295.37625	0.5
301.03009	1.0
302.03403	1.0
311.07559	0.6
329.63092	0.5
345.16907	2.3
345.22626	2.7
359.07727	0.9
367.10104	0.9
373.96054	0.5
387.17966	0.7
401.19882	2.0
427.19803	0.5
447.19974	0.6
461.19760	0.6
463.21689	1.1
471.22131	0.7
475.06610	0.5
489.10535	0.9
489.17035	0.8
489.23340	10.5
490.23483	1.0
507.24130	100.0
508.24481	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
67.75678	0.3
69.24165	2.5
69.24541	0.5
78.55831	0.3
78.95908	6.6
87.24838	0.3
96.96949	0.7
98.20675	0.7
108.65953	0.3
152.99594	12.9
163.14813	0.3
166.12296	0.3
171.00641	1.2
174.38782	0.3
200.13429	0.3
227.03223	2.8
245.04242	1.7
261.22226	0.5
279.23279	100.0
280.23618	7.0
336.19180	0.3
507.27274	33.7
508.27673	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	508.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.3
59.01374	6.2
61.98829	18.5
70.47323	0.7
70.47640	1.1
70.84409	0.6
71.01413	0.9
72.99303	1.0
78.95903	24.9
83.05053	0.7
84.71875	0.7
93.03473	0.9
96.96973	1.1
97.01510	0.8
99.08172	2.4
111.08197	1.1
113.09731	3.4
119.11811	0.7
129.09201	4.7
133.02983	1.9
135.04547	1.7
139.11197	0.8
140.01175	6.1
151.11298	0.9
152.99571	3.5
155.10689	0.9
161.02452	2.8
163.11258	0.7
169.12344	3.3
171.00662	2.7
171.10271	1.7
173.04593	1.6
175.03893	0.9
179.03456	1.4
181.12320	5.0
183.13892	2.3
185.11806	0.9
187.84032	0.7
193.12424	1.6
196.03773	4.4
197.11818	12.2
199.13440	5.7
201.11177	0.7
209.11832	2.5
211.13394	17.0
212.13660	0.8
214.04808	6.3
215.89397	0.7
227.12924	0.9
234.51387	0.7
253.23470	0.8
265.21582	1.4
275.20135	3.0
293.21219	14.0
311.22266	100.0
312.22629	4.8
508.26736	70.1
509.27225	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	508.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51387	0.7
57.03426	1.2
57.78682	0.8
59.01375	4.0
61.98824	5.6
71.52043	0.7
72.99290	0.7
78.95899	40.5
79.07138	0.8
80.27422	0.7
81.03471	0.7
93.03426	1.5
99.08133	2.8
109.02956	0.8
113.09729	2.2
122.00053	0.8
125.09689	0.9
129.09207	3.8
133.02963	1.0
135.04501	1.5
139.11288	2.7
140.01187	11.1
152.99556	3.4
160.75529	0.8
161.02415	2.5
163.11275	1.4
166.17258	0.7
167.10861	1.0
169.12312	1.6
171.00644	1.0
171.10260	6.3
173.04524	1.4
181.12296	3.7
183.13847	1.6
193.12283	3.3
196.03769	15.8
197.11815	8.0
199.13438	4.0
209.11800	2.1
211.13393	12.6
214.04861	3.7
225.11382	0.8
227.12823	1.0
249.22110	1.1
256.02341	0.8
265.21768	0.9
275.19980	1.2
293.21265	11.4
311.22244	61.3
312.22589	2.9
367.12119	0.7
406.87119	0.8
447.21851	1.0
508.26743	100.0
509.26834	5.9
509.33322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15350	0.6
51.81851	0.6
54.24275	0.7
55.63154	0.6
57.03445	1.1
59.01377	4.0
60.24448	0.6
61.98840	3.7
71.01387	1.4
72.99308	1.4
76.23861	0.6
78.95902	51.9
79.83971	0.7
83.05028	1.0
93.03475	0.8
96.96949	3.3
97.02959	0.9
97.06570	1.0
99.08148	2.4
105.56569	0.7
109.02887	0.7
111.08175	0.8
113.09724	2.8
121.10237	1.2
122.00128	0.8
123.08157	0.8
125.09719	1.1
129.09219	2.8
135.04553	1.0
139.11299	3.3
140.01193	5.8
152.99574	8.9
161.02379	1.8
163.11278	1.1
165.12805	1.2
167.10818	0.7
167.14378	0.9
167.68840	0.7
169.12321	2.3
171.00650	8.3
171.10269	11.1
173.04520	1.9
181.12335	3.9
183.13922	2.3
185.11790	0.8
193.12340	4.4
196.03778	3.0
197.11848	6.5
199.13364	2.8
201.11308	1.0
209.11798	2.0
211.13393	12.6
214.04839	6.2
224.34450	0.7
275.20117	0.9
293.21191	15.9
294.21173	0.8
297.77457	0.8
311.22260	100.0
312.22696	3.6
363.57224	0.7
372.02759	0.9
431.11841	0.9
434.22775	0.8
485.74176	0.8
508.26758	96.2
509.27216	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	509.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04062	0.6
57.03437	0.8
59.01380	41.8
61.98836	3.3
71.01364	3.6
71.52412	0.8
72.99305	15.7
73.02955	1.6
77.28082	0.6
78.95893	0.8
80.96503	3.1
85.02962	1.9
87.00887	0.9
91.05489	0.6
91.50336	0.7
93.03473	1.2
94.98045	0.7
95.05061	0.8
96.84521	0.7
101.02441	2.3
107.05000	0.8
109.02952	1.8
113.02478	1.3
119.05020	0.8
121.02911	1.0
123.00851	1.2
123.04516	7.6
123.35846	0.7
132.02194	1.1
133.02957	18.6
134.03712	1.2
135.04526	22.8
137.02466	1.0
149.02444	2.2
150.03230	0.7
153.05582	0.7
154.32321	0.7
161.02438	100.0
162.02779	2.5
163.04031	1.0
173.04524	2.3
176.84254	0.6
177.01822	0.8
178.02620	0.9
179.03476	16.2
181.05072	0.9
191.05569	1.0
193.05109	1.6
197.04538	21.9
198.05006	0.7
205.12125	0.7
209.11876	0.8
211.13399	1.4
267.06604	1.6
311.05646	2.8
359.07681	38.4
360.07831	1.8
436.20801	0.9
449.25345	1.1
467.26474	1.8
509.16992	5.4
509.23593	2.2
509.29361	1.2
510.17416	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95330	0.6
51.08410	0.7
54.42533	0.7
57.03450	0.9
59.01381	8.8
61.98811	1.7
66.78835	0.6
71.01369	3.2
71.08039	1.4
72.99309	76.0
73.02939	1.4
76.64111	0.7
76.98460	0.6
89.02444	1.6
91.01860	1.0
92.74577	0.7
93.03468	1.2
95.01344	0.7
101.02420	2.3
105.33707	0.7
107.05029	1.4
108.02179	1.0
109.02947	5.7
111.00832	0.8
113.02424	1.4
120.99654	0.9
121.03002	0.7
123.04527	34.4
124.04851	0.9
128.80383	0.7
128.90152	1.7
134.03749	3.4
135.04524	54.8
136.04813	1.1
137.02444	0.9
151.04008	3.4
151.97289	0.7
152.01152	2.7
153.01950	6.9
154.80782	0.8
157.09883	0.7
157.91016	0.7
161.04553	0.8
167.03506	10.8
173.71971	0.7
179.03494	49.8
180.03790	1.6
197.04550	82.5
198.04860	2.5
207.18263	0.7
209.11894	0.8
211.06129	3.2
224.21869	0.8
239.05545	2.3
245.77911	0.7
245.82565	0.8
297.06226	6.4
311.07791	10.1
341.08734	2.1
359.05408	1.2
359.09821	21.7
365.18198	1.4
439.96481	0.8
509.13000	100.0
510.13388	7.5
536.75165	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71467	1.0
52.50183	1.0
57.03457	2.0
59.01380	100.0
61.98831	1.2
69.37030	8.9
71.01381	8.1
72.99294	1.4
73.02945	3.4
85.02950	2.4
89.02442	3.2
99.04514	2.4
101.02420	6.8
108.02178	1.4
109.02940	3.0
113.02441	2.4
123.04513	5.6
123.08173	3.3
125.02399	2.1
128.90154	3.0
135.04526	73.3
136.04845	1.8
137.02446	5.1
137.09723	1.5
141.09209	4.7
152.01135	2.4
153.01910	1.9
153.05623	2.3
161.02472	1.2
161.04643	1.9
163.11240	3.5
167.03433	4.5
173.04553	1.3
179.03441	1.1
179.05722	1.0
185.08185	2.5
189.12869	7.6
201.11293	1.4
207.13892	7.2
209.11844	3.1
227.09367	1.5
287.11353	1.4
311.07779	13.3
338.21759	1.1
347.13187	1.1
365.18417	1.9
429.21381	10.7
447.12991	1.2
471.22159	1.2
509.12848	9.2
509.18689	1.0
509.23328	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	509.2389
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.39780	0.3
58.00573	1.3
59.01377	6.7
61.98800	1.2
71.01382	2.9
71.52103	0.5
72.99281	0.8
73.02918	0.4
78.95903	0.8
78.98574	1.1
79.95717	1.8
80.96516	12.0
85.02921	1.5
87.00867	0.8
93.03452	0.6
94.78217	0.4
94.98075	3.1
95.01366	0.6
96.95987	0.7
99.04510	0.5
101.02403	1.1
106.98057	0.5
109.02885	0.5
113.02416	1.7
120.05785	0.4
120.27856	0.3
122.97520	1.3
123.04503	0.6
124.05295	0.9
125.02451	0.7
133.02864	0.6
134.97577	0.7
135.04539	2.1
136.99202	0.4
137.02460	0.7
143.03543	0.3
148.99132	1.6
149.02394	0.5
151.04028	0.5
152.98656	1.6
161.02402	2.0
161.04593	0.4
161.09743	1.7
164.98628	2.9
165.01932	2.1
167.10770	0.5
171.10201	0.5
173.04529	0.9
179.03412	0.9
179.07112	1.8
181.04980	0.4
197.04485	1.2
206.99661	0.6
207.10332	0.4
209.11714	1.5
210.12114	0.9
225.00749	3.8
225.14911	2.0
233.83469	0.3
239.09171	3.3
243.01842	0.5
245.38068	0.3
267.06561	0.6
269.13864	0.8
285.18591	18.8
286.18945	0.7
299.20154	1.6
301.18188	0.5
303.19614	1.2
311.05539	0.5
317.21143	0.9
324.29959	0.3
329.17142	0.3
341.23514	0.4
347.18600	100.0
347.95599	0.4
348.18924	7.3
361.20160	13.8
362.20578	0.7
389.19678	39.1
390.20087	2.3
419.20688	2.3
423.20538	0.4
429.29852	0.8
435.19229	0.4
447.31244	1.4
449.21774	19.7
450.22525	0.9
465.32123	1.3
481.98230	0.4
509.16980	25.5
509.24100	2.0
510.17331	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	509.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.5
59.01381	2.3
61.98823	1.6
71.01386	0.8
71.09034	0.5
71.09372	0.8
72.99713	0.4
78.95901	15.7
80.95931	0.4
81.03451	0.5
82.84306	0.4
83.05021	1.0
87.51870	0.5
93.68264	0.5
95.05070	0.5
97.02941	0.6
97.06587	0.8
109.06588	1.7
110.98593	0.4
113.09715	3.0
120.96970	2.3
125.09678	0.8
133.02910	0.5
137.00079	0.6
138.98003	5.1
147.01611	0.4
151.03970	0.5
152.99580	7.0
161.02414	0.8
163.11284	1.3
171.10292	2.1
175.03796	0.4
177.12885	0.8
179.03416	0.4
179.14394	1.5
181.12311	1.1
185.11853	0.6
191.10791	0.5
195.00607	3.5
195.13882	22.6
196.14227	0.5
207.10217	3.7
209.11781	9.0
211.13452	0.5
213.01724	3.9
217.12129	0.4
225.11301	2.7
227.12915	1.6
230.09256	0.5
240.07326	0.5
259.20654	0.5
267.70599	0.4
277.21704	19.9
278.22104	1.0
281.13760	0.5
295.22754	100.0
296.23117	4.4
299.14941	0.6
299.47073	0.5
300.42206	0.5
333.20593	0.7
368.35886	0.4
373.23730	0.6
450.43164	0.5
473.25607	1.3
475.46585	0.5
491.24118	71.1
492.24527	4.7
509.25259	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42010	0.4
75.25206	0.3
77.60505	0.3
78.95901	7.6
96.96947	0.6
124.77544	0.3
134.43112	0.3
135.85513	0.3
152.99580	12.3
153.00826	0.7
171.00636	0.9
196.89474	0.9
197.58850	0.3
227.03226	2.8
245.04289	1.7
281.24823	100.0
282.25162	5.6
387.73911	0.4
393.77011	0.3
509.28790	36.0
510.28992	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	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	3.4
61.98829	78.9
62.75071	0.9
70.52082	2.6
72.47188	0.8
72.99287	1.8
74.99107	1.1
111.81685	0.8
119.05042	1.0
120.99645	1.3
124.34313	0.8
125.02517	1.1
135.04546	1.7
145.70819	0.8
151.00346	1.2
163.03986	1.0
173.04568	1.4
175.19926	0.9
180.99849	0.9
209.11824	1.6
211.03925	1.4
227.03479	30.2
228.03940	1.1
255.00262	1.1
255.02974	43.6
256.03647	5.1
284.03256	51.6
285.03976	16.6
308.30319	1.1
327.05124	1.2
447.09274	100.0
448.09418	6.2
510.22156	1.3
516.48212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84989	1.4
59.01393	8.9
61.98829	100.0
71.01389	3.3
71.52643	2.2
78.95894	7.9
80.36108	1.3
80.97527	1.2
83.05025	2.0
89.02424	4.1
101.02465	3.1
113.70817	1.4
115.72750	1.4
118.63685	1.6
135.04518	2.2
138.98024	2.4
147.73282	1.4
152.99594	4.6
155.14481	1.8
156.31119	1.4
195.13898	3.3
196.14212	4.9
207.10229	2.4
208.67853	1.4
209.11812	5.0
210.12160	4.3
230.27930	1.7
277.21649	3.0
278.22095	7.1
285.20663	9.3
295.22772	9.7
296.23099	33.0
447.25955	50.9
448.25928	2.2
470.23203	1.4
492.24448	30.7
510.26163	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	511.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91426	0.6
51.93504	0.6
53.59663	0.6
57.03445	35.4
59.01381	9.4
61.98820	3.2
69.19689	6.3
71.01377	1.9
72.99290	2.1
73.02932	1.0
81.03452	1.1
83.01375	1.1
85.02912	0.7
93.03452	1.6
96.95998	0.7
99.04516	25.6
101.02438	8.7
108.02141	0.8
119.05028	0.8
120.99650	2.6
121.02954	100.0
122.03262	1.6
123.04480	0.7
125.02442	14.5
133.02954	0.7
135.04544	3.2
142.24406	0.6
157.55476	0.6
161.02444	2.3
165.09241	0.8
171.10274	2.1
173.04559	2.8
179.03419	0.7
209.11815	7.5
227.12825	1.1
289.17914	1.1
321.04523	0.7
453.94214	0.8
481.47165	0.6
511.08795	0.9
511.17841	1.3
511.24194	1.1
511.30554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89388	0.4
53.88125	0.3
57.03441	0.8
57.64468	0.4
59.01383	9.2
61.98822	1.7
63.96239	0.8
69.03462	0.6
71.01379	7.0
71.52243	0.5
72.99317	1.4
73.02951	2.8
78.98588	3.9
79.76302	0.4
79.95735	6.8
80.96515	53.4
81.03442	0.9
83.01394	0.9
85.02939	3.5
86.18993	0.4
87.00867	2.4
89.02428	1.2
89.33334	0.4
91.03923	0.3
93.03465	1.2
94.98082	11.7
96.96014	1.1
97.02930	1.7
99.00895	0.6
101.02438	4.5
106.98093	2.4
109.02962	0.5
113.02438	1.2
119.04966	0.6
120.99650	0.6
122.97574	5.2
123.04472	0.7
125.02450	3.0
127.03977	1.1
133.02974	0.6
134.97585	3.8
135.04489	2.4
136.05208	0.4
136.99113	1.1
137.02473	0.5
143.03551	0.5
146.97543	0.4
148.99147	5.0
149.02405	0.5
150.03079	0.5
152.98625	6.0
153.05576	0.4
161.02412	2.3
161.04556	0.6
163.04031	0.5
164.98616	9.4
167.00223	0.8
173.04533	1.5
179.03461	0.7
182.99643	1.6
183.01115	0.4
191.05542	0.7
197.04610	0.5
206.99655	3.1
211.13347	4.4
225.00729	16.1
243.01721	1.6
255.11400	0.8
262.73483	0.4
289.18103	0.5
299.04440	3.0
339.04568	0.4
349.20154	2.9
391.21402	0.7
421.22449	1.1
439.23160	1.7
451.23468	1.2
481.24460	1.2
510.67780	1.4
511.18497	100.0
512.18811	6.2
512.25659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98713	1.1
55.01888	1.0
57.03448	79.0
58.00578	2.4
59.01377	100.0
60.01703	1.1
61.98832	10.5
69.03445	2.3
71.01380	50.1
71.06715	1.7
71.07056	1.5
72.99300	4.3
73.02556	2.0
73.02945	32.7
75.00859	2.4
79.05513	3.0
80.96499	3.2
81.03445	4.1
83.01387	12.0
83.05013	3.2
85.02945	11.9
87.00858	4.1
89.02442	33.1
93.03448	6.5
94.98106	1.5
95.01377	5.2
96.95970	1.5
97.02911	1.4
97.06582	3.2
97.96165	1.1
99.04514	81.9
101.02438	58.9
108.02135	1.8
109.02927	2.2
109.06548	1.5
111.04511	2.2
111.98816	1.2
113.02451	30.0
113.06065	3.5
116.92845	1.5
119.03494	12.7
119.04948	1.8
123.04519	23.3
125.02441	45.4
131.03497	6.6
133.02940	1.8
135.04475	5.1
137.02408	4.1
141.05577	3.5
143.03470	9.2
149.02411	4.4
149.04512	7.6
152.34299	1.1
153.05521	4.8
155.03448	2.6
161.02428	2.5
161.04555	54.3
163.03970	1.6
164.04802	1.3
171.08022	1.5
173.04517	20.0
179.03534	2.1
179.05595	21.4
181.05084	1.8
187.11281	37.9
203.05556	3.0
205.12328	1.5
221.06564	3.6
233.06584	4.1
263.07709	20.9
271.16989	1.7
289.18106	2.7
323.09799	25.8
337.12799	1.9
343.19098	1.5
349.20206	7.1
363.21896	1.8
389.25735	1.4
391.21179	9.2
451.23077	2.3
469.23904	1.4
511.10135	1.8
511.17480	4.9
511.25455	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	511.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01367	1.9
60.08821	0.3
61.98829	16.4
70.71381	0.5
70.71693	0.6
70.86359	0.4
71.01382	1.0
71.05045	0.4
72.99306	1.1
78.95879	0.4
80.02669	1.3
81.03456	1.3
83.05024	6.1
84.02157	0.6
89.02467	0.8
93.03448	1.1
95.05021	1.2
97.06601	0.6
101.02443	0.7
108.82939	0.4
109.02935	0.5
109.06569	0.8
113.02456	0.4
121.02945	0.3
123.08161	0.6
125.06054	0.5
125.09733	2.1
127.11390	0.4
133.02925	0.5
135.04471	0.9
135.08167	0.9
149.09721	1.0
152.99579	0.4
158.23785	0.3
161.02451	0.8
163.11302	4.3
165.12833	2.7
169.12421	0.5
171.10262	26.4
172.10695	0.7
181.05090	0.6
181.12460	0.5
185.11829	1.8
191.10783	0.7
203.14375	0.8
207.10229	0.8
209.11815	100.0
210.12169	3.4
211.13356	1.8
221.11858	1.5
223.13376	1.2
227.12845	9.7
229.12280	0.5
247.13374	8.0
248.13821	0.4
249.14880	0.8
265.14499	2.4
287.22437	1.7
313.21725	0.7
321.17133	0.8
331.22787	0.6
331.91940	0.3
339.18701	0.4
357.20511	0.7
375.21667	1.1
375.25516	1.0
391.24573	0.4
401.23212	1.3
419.24380	1.3
431.24368	0.6
437.25586	0.5
449.27548	8.4
457.25818	0.7
467.26639	0.4
468.27951	0.5
475.26962	4.3
477.28235	0.4
493.27698	2.7
511.29276	3.7
512.26514	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27987	0.3
56.29385	0.3
59.01381	0.6
61.98824	2.5
62.36986	0.3
65.03989	0.3
69.67660	1.8
70.34330	0.3
71.01377	0.3
71.05022	0.4
72.99301	1.1
80.02679	1.0
81.03429	1.5
81.69730	0.3
83.05017	4.9
84.02170	1.0
93.03452	0.6
95.05038	1.2
97.06581	0.7
109.02901	0.4
109.06545	0.7
111.04517	0.4
123.08176	0.5
125.06054	0.7
125.09745	1.5
127.11251	0.3
129.07889	0.3
133.02942	0.5
135.04518	0.8
135.08150	1.2
149.09702	1.0
151.03937	0.3
161.02429	0.6
163.11264	3.9
165.12827	2.7
171.10266	18.6
172.10558	0.6
179.03455	0.4
181.05070	0.4
181.12389	0.6
185.11816	0.9
191.10776	1.1
202.06323	0.4
203.14381	0.4
207.10271	0.5
209.11810	100.0
210.12158	3.2
219.14011	0.4
221.11774	1.0
223.13437	0.6
227.12877	9.7
231.13922	0.3
247.13374	5.7
249.14952	0.4
265.14508	2.1
321.16821	0.4
331.22787	0.6
375.21661	1.7
375.25772	0.7
401.23230	1.2
419.24509	0.6
431.24423	0.5
448.26147	0.7
449.25537	2.6
475.27045	2.4
476.26740	0.4
489.97839	0.3
493.28067	1.8
511.29065	2.5
524.45551	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.271
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16289	0.3
57.97595	0.3
59.01385	5.0
61.98828	100.0
65.82986	0.4
69.67613	0.4
70.74832	1.2
71.01379	2.5
72.99319	1.2
83.01382	0.6
83.05043	0.4
85.02945	0.7
89.02460	2.8
101.02448	2.4
113.02483	1.4
119.03520	0.8
119.05021	0.5
123.04553	0.5
126.09703	0.3
127.11308	0.8
133.02962	0.9
135.04535	1.9
161.02414	2.3
163.04024	0.8
164.11708	0.6
171.10329	1.2
172.10590	0.7
179.03493	0.9
181.05020	1.0
192.11255	0.4
197.04532	0.5
207.04648	0.4
209.11835	5.7
210.12160	5.0
227.12852	0.6
228.13342	0.5
239.20265	0.5
241.21733	2.6
287.22278	10.5
288.22708	0.7
299.70667	0.5
337.80423	0.4
388.92407	0.5
404.01492	0.4
449.27521	49.7
450.28006	3.0
480.68735	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.2
61.98828	100.0
64.25834	0.6
69.93143	2.3
71.01383	3.4
72.99324	1.4
79.95728	1.3
83.05038	1.3
84.02127	0.7
85.02957	0.7
87.00870	0.6
89.02444	2.8
95.95253	0.7
101.02459	2.8
109.06607	0.6
113.02484	1.0
113.09731	1.1
119.03494	1.4
119.04971	0.7
125.09720	0.7
133.02951	1.0
135.04552	1.8
145.02986	1.2
159.95438	0.6
161.02467	1.5
163.03978	0.9
163.11316	0.8
171.10255	7.4
172.10660	3.5
179.03625	1.1
181.05161	0.8
209.11821	22.7
210.12155	14.7
210.13977	0.9
211.07616	0.8
227.12894	2.1
228.13336	2.0
239.20248	0.9
241.21826	2.1
247.13353	1.6
248.13763	1.7
266.14948	0.9
287.22229	11.6
288.22739	0.9
381.17441	1.2
398.20288	1.1
449.27515	46.5
450.27887	3.3
468.27786	3.0
476.27448	1.5
494.28192	1.1
512.26807	12.9
513.26880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.5
59.01382	2.6
61.83733	0.3
61.98826	1.5
71.01385	1.3
72.99305	0.5
73.02946	0.4
87.00865	0.8
87.26620	0.3
93.03443	0.3
96.96013	4.5
97.02962	0.7
98.95599	3.7
98.96402	0.6
99.00858	0.8
99.04519	1.0
99.92585	14.6
100.92633	0.5
100.93362	1.2
101.02435	0.8
108.02196	1.2
109.02952	1.0
111.04536	0.4
114.94954	1.9
115.92077	9.6
116.92863	100.0
117.92883	3.3
117.93652	0.6
123.04522	2.5
125.02451	0.4
127.74021	0.3
131.97028	0.3
135.04526	1.2
138.98550	0.5
139.95744	0.6
141.93619	0.6
142.78560	0.3
152.01210	1.0
153.01903	0.7
153.05563	3.4
156.95998	0.7
158.93971	1.5
161.02505	0.6
161.04529	0.9
163.31146	0.3
171.10175	0.3
173.04535	0.7
176.46545	0.3
182.97523	2.2
183.94687	0.8
183.98239	0.4
184.95341	0.3
197.04573	0.6
200.94969	0.4
226.96521	13.0
227.97070	0.5
233.78143	0.3
263.74188	0.3
298.98648	0.6
310.98761	0.7
333.00702	0.6
339.04953	0.6
351.01703	0.4
352.02637	0.4
356.87680	0.3
390.52258	0.3
391.05194	0.4
404.00568	0.4
411.03683	0.3
433.05960	0.6
470.26166	1.1
477.05026	4.7
513.07056	24.2
513.15863	1.7
514.07404	2.1
514.28247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.1
59.54548	1.4
61.98837	2.6
69.74521	2.7
69.74923	5.7
71.01376	13.7
83.01388	2.3
83.05018	4.4
85.02921	2.1
87.00909	3.4
88.98808	2.0
89.02438	9.5
96.95992	4.4
101.02435	8.6
102.33336	1.5
109.06554	1.8
111.04534	12.4
113.02427	5.3
119.03461	3.5
123.04526	3.8
125.06081	2.0
127.07654	69.8
129.05574	51.6
143.07159	1.8
144.04579	2.0
153.05521	6.5
161.04504	2.1
170.48082	1.6
171.06613	23.2
179.05415	2.0
189.07674	77.0
213.07590	4.1
231.08719	21.7
261.09811	6.2
291.10812	24.0
327.32794	1.4
341.10867	3.9
351.12936	56.2
352.13309	3.5
445.60098	1.6
477.16019	2.1
513.18170	100.0
514.18542	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	513.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	94.0
58.00600	1.5
58.03790	0.9
59.01376	100.0
60.01720	0.8
60.47836	0.7
61.98829	1.4
65.47117	0.8
69.03479	1.0
71.01377	37.0
71.51499	1.0
72.99310	2.5
73.02941	19.6
81.03439	4.0
83.01383	9.3
84.35223	0.9
85.02943	8.1
87.00875	2.2
89.02441	24.0
95.01405	2.5
99.00859	1.4
99.04514	98.5
99.28905	0.8
100.04852	0.9
101.02438	48.6
103.52599	1.1
109.06599	1.0
113.02443	19.6
113.06123	1.8
114.02774	1.0
116.67040	0.8
119.03489	9.8
123.04515	8.0
125.02439	44.0
128.03506	1.3
131.03494	3.3
135.04507	1.6
137.09731	12.1
141.05573	1.9
143.03503	7.3
149.04556	5.2
153.05600	1.6
155.03468	1.2
161.02394	2.2
161.04547	22.2
173.04456	1.1
179.04022	1.3
179.05598	11.1
189.12830	1.5
195.92694	0.8
203.05580	1.9
221.06645	2.5
233.06694	1.7
254.42923	0.8
263.07761	5.9
323.09882	7.3
369.19156	1.6
382.12317	0.9
385.85458	0.9
401.42471	0.8
411.20105	1.1
453.23914	0.9
469.24139	1.2
513.22198	5.6
514.26459	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90708	0.0
55.01869	0.3
56.76129	0.1
57.03452	0.2
58.00360	0.1
58.00621	0.2
59.01376	5.9
59.98512	0.1
66.91422	0.1
69.03458	0.1
69.23251	0.2
69.23682	0.3
71.01379	4.0
72.98943	0.1
72.99277	0.3
73.02938	1.0
75.00883	0.1
83.01386	0.6
83.05032	0.2
85.02942	1.1
87.00865	0.5
89.02440	3.3
91.04026	0.2
95.01377	0.3
97.02953	0.3
99.00892	0.2
99.04556	0.1
101.02438	4.1
102.02753	0.1
103.04018	0.1
113.02444	1.9
113.06119	0.1
115.04007	0.1
119.03494	1.0
125.02402	0.3
127.04034	0.1
127.07654	0.2
131.03476	0.2
133.05057	0.3
143.03490	0.4
145.04996	0.1
149.04582	0.1
152.99586	0.1
157.05083	0.2
161.04558	1.6
179.05611	0.5
182.13205	0.1
197.11812	0.1
205.19630	0.1
233.22807	0.3
235.08199	1.2
253.09267	15.3
254.09705	0.4
259.20599	0.4
275.20154	0.3
277.21695	100.0
278.22040	5.1
323.24976	0.1
369.56744	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
56.04424	0.0
57.03442	0.1
58.00584	0.2
59.01376	6.1
65.44304	0.0
68.99805	0.0
69.03457	0.1
71.01377	4.6
71.52925	0.1
72.99296	0.2
73.02940	1.0
73.43149	0.0
81.03444	0.1
83.01376	0.6
83.05024	0.2
85.02940	1.1
86.00096	0.1
87.00876	0.6
89.02441	3.3
91.03996	0.2
95.01381	0.3
97.02956	0.2
97.06592	0.1
99.00883	0.2
99.04498	0.1
101.02437	4.2
103.03999	0.2
113.02445	2.2
113.06082	0.1
115.03995	0.1
119.03503	0.9
125.02442	0.2
127.03980	0.1
127.07626	0.2
129.01872	0.1
129.07889	0.0
131.03506	0.2
133.05072	0.3
141.09181	0.0
143.03491	0.4
145.04951	0.0
149.04544	0.1
157.05061	0.2
161.04552	1.6
179.05583	0.5
182.13100	0.1
205.19582	0.1
217.06915	0.0
233.22752	0.3
235.08194	1.3
253.09267	15.8
254.09688	0.4
259.20575	0.3
275.20139	0.4
277.21698	100.0
278.22040	5.7
438.97617	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62441	0.1
59.01374	0.1
61.98827	100.0
62.98523	0.1
69.35126	0.6
114.60569	0.1
140.32993	0.1
150.72820	0.1
226.57312	0.1
228.28972	0.1
386.72656	0.1
454.33887	0.2
514.32367	0.4
518.29395	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.8
59.01374	10.1
61.98831	9.1
64.05910	0.9
70.02972	1.3
71.00343	1.8
71.01376	5.6
72.99305	20.0
73.02951	1.1
74.02478	3.9
85.02933	1.5
87.00877	1.8
89.02431	2.6
97.01180	2.0
97.04072	2.6
99.04536	6.4
100.00407	16.5
100.04868	1.1
101.02425	3.8
108.37414	0.7
109.01126	0.9
109.04084	0.9
113.02443	2.6
115.00342	1.0
116.05067	1.6
119.03516	1.1
125.02415	1.9
126.02857	1.1
128.03540	2.6
132.02133	1.3
133.01932	1.5
133.02951	27.6
134.03790	0.8
135.04521	36.5
136.02180	0.8
137.00677	1.4
138.01448	0.8
139.02232	2.2
149.19061	0.7
151.02182	1.2
152.01744	3.5
153.02547	1.1
154.03288	2.8
154.84146	0.7
158.06036	1.0
159.02969	0.8
161.02434	100.0
162.02800	1.6
163.00926	1.8
163.02173	1.4
164.01706	4.7
174.05565	0.9
175.08736	1.2
176.01759	13.0
178.01891	1.5
178.03316	17.4
179.03502	29.3
180.04874	2.6
185.07214	1.5
189.02527	3.1
190.03285	8.9
192.04881	14.2
201.06668	2.4
204.01184	2.0
204.04903	6.9
208.04353	2.7
219.03542	1.8
220.00739	6.2
220.04271	2.8
225.60834	0.7
234.02289	1.5
235.05443	56.1
236.03775	3.8
236.05811	1.1
244.06027	0.8
247.05426	7.5
248.03879	6.2
263.02505	1.6
264.03296	3.7
279.04437	33.0
280.04919	0.9
291.04422	51.3
292.04733	2.5
309.05484	28.3
327.21835	1.3
335.03394	16.3
353.04443	62.2
354.04782	2.8
379.02240	1.4
471.08325	0.9
514.26367	2.5
515.07605	33.8
515.28375	6.9
516.08002	2.1
516.27954	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	515.1227
Annotation	Dexamethasone sodium phosphate
Peak:m/z	Relative Intensity
51.57534	0.3
57.03444	0.7
59.01380	1.8
61.98842	0.4
62.91512	0.3
67.77204	0.3
69.24680	2.5
69.25087	0.6
70.73835	0.3
71.01382	1.0
73.02966	0.7
78.95884	0.4
79.95737	24.9
80.96517	1.2
85.02950	0.6
87.37164	0.3
93.03452	2.1
95.95236	9.6
96.96011	100.0
99.04504	0.6
101.02436	0.7
109.02942	4.2
110.97575	6.6
123.00850	0.6
125.02463	0.4
135.04518	1.8
136.99158	0.5
137.02374	0.8
137.48436	0.3
138.03214	0.6
139.03967	0.5
140.01222	0.4
140.02299	0.3
141.95770	0.9
145.02945	1.8
147.04527	0.4
149.02461	0.6
161.02470	1.4
161.06061	0.8
166.02754	0.7
167.00204	2.9
167.03419	0.6
173.04549	7.0
177.01958	1.0
179.03496	1.2
181.05023	0.6
187.04155	0.3
191.05638	1.6
192.04327	0.5
193.05078	0.4
193.49738	0.3
205.05035	0.4
207.06595	0.5
209.08237	1.0
239.03563	0.5
249.11269	0.6
253.05246	0.4
255.06667	0.7
281.04398	1.8
287.02335	0.4
289.03903	1.3
297.07791	1.0
305.04544	0.6
323.05756	0.5
341.06595	5.2
342.07126	0.4
342.11105	0.4
345.09860	0.6
357.13531	0.4
375.10867	0.4
405.11987	1.3
429.08685	0.7
485.07495	5.0
488.35352	0.5
500.09982	3.2
515.12225	92.2
516.12549	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	515.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.95060	0.7
57.03447	0.9
58.00594	1.4
59.01377	19.4
65.03969	0.9
71.01376	16.1
71.06888	1.7
73.02947	20.1
81.03436	2.7
81.03899	0.6
83.01383	0.9
83.05013	6.8
85.02956	4.6
87.00880	0.9
89.02436	19.7
93.03457	50.6
95.01382	1.2
99.00883	6.7
99.04518	6.3
101.02450	7.7
111.03738	1.2
111.04516	20.7
111.08421	0.9
113.02437	5.1
119.03491	6.3
127.69497	0.7
129.01927	2.7
137.02441	13.5
143.03467	5.5
153.03925	0.6
155.03473	8.2
161.04565	1.5
173.04538	100.0
174.04895	2.6
179.05594	10.4
180.06287	0.7
193.60034	0.8
200.64156	0.7
203.00085	0.7
209.88454	0.7
229.41138	0.8
341.10861	65.8
342.11264	3.1
515.16455	1.7
524.41772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11222	0.9
57.03454	1.0
58.00592	1.2
59.01377	21.8
65.03967	1.0
69.03458	1.3
69.42896	7.1
71.01376	17.3
72.99313	1.1
73.02943	21.0
81.03462	2.1
83.05025	8.7
85.02930	5.7
87.00887	1.3
89.02436	22.4
89.02945	1.7
93.03455	50.7
94.03790	1.0
96.96954	1.1
98.19826	0.9
99.00887	6.7
99.04512	6.6
99.60413	0.9
101.02442	8.9
111.04520	22.5
113.02457	5.6
119.03490	7.9
129.01936	3.8
131.03481	1.2
137.02441	17.1
143.03503	5.9
155.03476	9.9
155.08531	0.9
156.24049	0.9
161.04538	2.3
173.04541	100.0
174.04865	2.5
174.07680	1.4
179.05621	11.5
203.09769	0.9
341.10855	85.1
342.11121	2.3
395.36237	0.9
396.33115	1.2
414.53439	1.0
515.16010	1.8
530.59271	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02647	1.2
54.08433	1.1
55.01861	1.5
57.03426	1.5
59.01382	22.4
59.16862	1.1
71.01379	18.6
73.02944	22.6
81.03429	1.9
83.05019	7.7
85.02950	7.8
85.19275	1.1
89.02439	25.4
93.03455	47.9
99.00868	7.0
99.04517	5.3
101.02433	11.3
109.02940	1.5
111.04523	20.6
112.98759	1.8
113.02456	8.9
119.03466	8.8
124.55901	1.2
129.01888	2.7
137.02457	17.0
142.99840	1.7
143.03467	5.3
144.02841	1.4
155.03482	10.3
161.04498	2.7
166.08569	1.1
172.89903	1.3
173.00906	3.3
173.04538	100.0
174.04922	2.2
179.05634	11.5
203.84920	1.3
229.32658	1.3
243.08559	1.3
265.73944	1.1
271.54715	1.3
341.10861	81.4
342.11148	3.8
420.51312	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	25.3
59.01379	100.0
61.98834	3.7
65.52000	0.8
69.69584	5.7
71.01385	18.7
72.99310	4.5
73.02942	13.4
81.03436	1.0
83.01397	5.1
83.05014	1.8
85.02943	5.4
87.00880	4.3
89.02444	5.2
93.03469	1.5
96.96006	2.2
97.06580	7.2
99.04514	30.4
101.02449	21.0
107.05032	13.3
109.02972	1.6
113.02460	7.1
119.03487	2.5
119.04989	1.2
120.05828	2.6
121.85416	1.0
122.87404	1.0
123.04507	4.0
125.02445	12.5
128.03560	2.0
129.01945	1.1
131.03494	1.0
133.02959	3.4
133.06625	1.1
135.04529	12.4
141.05513	1.3
143.03500	1.1
143.87943	0.9
145.03027	0.9
149.04567	1.1
153.05605	1.4
159.11803	1.3
161.02441	10.3
161.04535	3.2
161.09726	10.5
161.13329	4.5
162.93465	0.9
163.03996	1.2
163.11273	1.4
169.10326	1.9
173.04550	2.4
176.01733	1.4
177.01961	1.9
179.03560	4.4
187.07533	1.1
187.11281	16.4
189.09192	5.4
192.90907	1.1
197.04585	1.5
203.10768	2.8
205.12346	8.1
207.10268	3.0
209.15430	1.3
216.01233	1.1
223.13376	55.8
224.13815	2.5
229.12302	1.8
231.10150	1.2
235.05457	1.2
249.11330	8.7
267.12357	51.0
268.12759	1.9
273.03351	4.5
279.04535	1.8
291.04410	1.8
291.12274	1.5
300.60455	0.9
309.13486	1.3
327.10062	1.2
335.03427	1.4
353.04321	1.6
353.19434	1.8
371.20743	9.2
372.20999	0.9
413.21985	2.5
455.26639	1.9
471.18808	7.9
515.07678	2.3
515.29266	8.4
516.27490	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31837	0.9
53.08948	1.2
54.30882	1.2
57.03447	90.6
59.01378	92.7
61.98824	11.2
69.03446	2.5
70.71630	2.9
71.01379	24.1
72.89409	1.1
72.99303	3.2
73.02948	9.7
75.00871	1.3
81.03456	2.2
81.92040	0.9
83.01377	6.1
85.02945	11.2
87.00887	2.4
89.02438	10.9
91.44760	1.0
93.03445	4.6
95.01388	2.5
96.95302	1.1
97.02980	1.3
99.00848	2.8
99.04515	100.0
101.02441	38.2
109.02921	2.0
113.02434	11.4
119.03472	4.3
119.05000	1.4
121.02943	2.2
123.04512	3.4
125.02444	31.8
128.03497	2.0
133.02901	3.4
135.04524	11.6
136.88512	1.2
137.02368	1.5
143.03531	5.4
149.02417	1.2
149.04582	1.4
150.38194	1.3
151.04018	1.4
159.02956	1.4
161.02461	16.3
161.04506	5.4
162.02791	1.6
165.65193	1.0
173.04568	9.9
179.03477	6.8
179.05573	2.4
181.05095	1.5
191.05649	6.9
197.04588	1.8
267.06314	1.1
353.08734	7.4
371.20605	11.2
371.24408	2.0
413.21747	7.9
455.26352	1.4
507.76855	1.1
515.29388	49.2
516.29352	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	515.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92591	0.6
55.00178	0.7
55.01881	0.7
57.03448	89.7
58.03779	0.9
59.01380	100.0
61.98823	0.7
69.15033	2.7
69.15465	3.5
71.01382	22.0
71.19830	0.6
72.99309	1.9
73.02946	5.9
76.15816	0.6
81.03461	1.7
83.01388	4.2
85.02959	6.8
87.00912	1.0
89.02448	12.4
95.01420	1.9
97.04113	0.7
99.00909	1.6
99.04519	98.4
100.04896	1.6
101.02444	34.1
105.77798	0.6
113.02453	8.4
119.03490	5.2
123.04525	1.4
125.02446	34.7
126.02760	0.6
133.02963	2.5
134.03737	0.7
135.04514	2.2
138.94745	0.6
143.03499	5.2
149.04575	0.8
150.34261	0.6
153.05600	0.7
153.19759	0.6
159.03035	0.9
161.02443	8.5
161.04536	5.0
173.04611	0.8
176.01663	0.8
177.01974	1.5
179.03438	1.0
179.05615	5.5
188.14076	0.6
192.04915	0.8
204.04822	0.9
228.59450	0.6
247.05414	1.5
267.16187	0.6
309.05499	4.5
353.04483	2.5
371.20688	9.2
413.21768	7.4
453.24860	2.0
463.06836	0.8
515.07703	1.4
515.24927	23.2
516.25818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
57.03446	77.5
57.21526	0.7
59.01377	100.0
59.45504	0.7
61.98829	1.8
62.33248	0.6
69.78344	3.6
71.01381	21.1
71.75661	0.8
72.99327	1.0
73.02943	7.5
79.82635	0.8
81.03468	2.4
83.01379	3.9
85.02941	11.5
87.00888	1.6
89.02439	5.2
95.01392	1.7
99.00906	3.1
99.04517	92.0
100.04863	1.5
101.02441	33.6
109.98176	0.8
113.02440	10.9
119.03541	1.2
125.02442	44.1
127.91030	0.7
130.27214	0.7
133.02924	1.3
135.04572	2.6
143.03485	3.8
159.03047	2.0
160.36443	0.8
161.02438	4.3
161.04533	7.0
178.03249	0.8
179.03545	1.6
209.15401	4.1
221.15746	0.8
235.05547	2.3
247.05205	1.1
268.38904	0.8
279.04645	1.2
291.04593	2.5
309.05411	0.9
335.03485	1.0
353.04562	2.6
353.19669	7.0
371.20715	34.8
372.21048	1.7
413.21738	13.6
414.22446	1.3
453.25128	2.6
471.26328	2.7
515.07745	1.5
515.24872	13.1
515.31464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	2.0
59.01378	95.4
61.69011	0.8
61.98804	2.1
69.26659	0.8
71.52424	1.1
71.52821	0.9
73.02951	0.9
76.41309	0.8
78.95904	15.8
87.45280	0.8
96.96925	1.3
104.60774	0.9
106.78487	0.8
138.07124	1.0
148.12949	0.9
152.98386	1.3
152.99580	19.9
171.00635	5.8
197.19087	20.2
204.10823	0.8
223.20490	1.4
225.18765	1.5
225.22234	5.7
227.03314	2.1
227.20158	21.0
245.04291	25.1
269.21231	5.9
287.22266	100.0
288.22537	4.5
291.19537	1.2
335.22272	8.0
515.26202	57.5
516.26514	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	515.2857
Annotation	Tricalysioside M
Peak:m/z	Relative Intensity
55.01867	0.6
57.03449	2.1
59.01380	23.6
60.42049	0.3
61.98824	0.6
64.09849	0.3
67.05831	0.3
70.99570	0.7
71.01382	10.5
71.05013	0.6
72.99294	1.5
73.02559	0.4
73.02949	6.0
75.00906	0.3
81.03447	0.7
83.01380	2.1
83.05013	0.4
85.02953	6.1
85.55279	0.3
86.00064	0.6
87.00871	3.4
87.04514	3.0
89.02433	3.1
93.03471	0.6
95.01398	0.7
97.02966	0.8
99.00882	1.2
101.02440	8.6
106.64050	0.3
111.00906	0.4
113.02436	4.1
119.03502	1.1
124.01688	0.4
125.02452	0.9
133.02963	0.4
135.04497	0.6
143.03526	0.6
145.02885	0.4
151.11279	0.3
156.38248	0.3
161.02452	0.9
161.04524	0.5
169.12360	1.3
173.04575	2.0
185.11813	0.4
195.13943	0.5
209.11880	0.8
209.15475	0.4
223.17020	14.6
224.17284	0.5
226.06149	0.3
235.17058	2.2
251.16519	0.4
253.17906	0.5
275.20126	3.2
293.21262	6.8
294.21606	0.4
304.50201	0.3
309.20682	0.4
311.22269	17.6
312.22723	0.9
319.34497	0.3
335.22498	0.4
374.30453	0.4
455.26483	12.4
456.26743	0.7
471.26126	1.7
473.27551	21.5
474.27948	1.3
497.27573	1.5
515.28589	100.0
516.28888	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	515.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.7
57.33565	0.4
59.01379	76.1
60.01733	0.7
61.98834	1.1
64.52837	0.4
69.03470	0.5
69.48981	0.5
70.71684	1.2
71.01384	13.2
71.52581	0.4
72.99313	1.4
73.02946	10.1
83.01386	3.2
85.02953	3.1
87.00947	0.4
89.02438	5.1
93.03458	0.7
95.01409	1.0
96.96004	0.6
97.02978	0.5
99.00888	0.6
101.02442	9.5
109.02924	0.5
109.06576	0.4
113.02457	3.5
119.03490	1.4
119.05019	0.5
131.03561	0.6
133.02959	0.9
135.04530	1.5
137.02448	0.5
143.03506	0.5
161.02441	2.0
161.04555	1.1
163.04053	0.4
169.12335	2.2
171.10275	2.2
173.04575	1.3
179.03520	1.1
209.11827	2.5
220.02269	0.4
227.12849	0.5
293.21164	2.0
305.16229	0.6
309.24417	0.6
353.23328	1.0
413.25336	0.6
435.25729	0.4
455.26614	2.1
473.27576	4.4
497.27512	4.9
497.79611	0.5
515.28583	100.0
516.29016	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71138	0.1
51.75202	0.1
52.77308	0.1
55.01865	0.2
55.92196	0.1
58.00586	0.3
59.01376	4.0
61.98805	0.2
69.03450	0.1
71.01380	3.3
71.53734	0.2
72.99292	0.2
73.02948	0.7
73.84860	0.1
78.95899	0.9
83.01396	0.4
85.02940	0.6
87.00883	0.3
89.02441	2.8
91.03991	0.2
92.70757	0.1
95.01369	0.3
97.02970	0.3
97.59330	0.1
99.00875	0.3
101.02442	3.3
104.59373	0.1
108.30003	0.1
113.02428	1.6
116.49172	0.1
119.03497	1.0
125.02438	0.2
133.05084	0.3
143.03523	0.3
152.99585	1.7
157.05009	0.1
161.04567	1.0
179.05568	0.3
224.96156	0.1
235.08228	1.0
253.09273	13.9
254.09660	0.3
261.22195	0.3
279.23260	100.0
280.23618	5.3
433.23572	0.3
452.19318	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34611	0.6
59.67154	0.6
70.78551	1.5
107.05037	0.7
112.86891	0.7
156.92459	0.6
161.85190	0.7
163.11284	27.8
164.11603	1.1
175.11186	0.9
176.12082	1.0
177.12825	3.9
208.10997	3.3
281.15631	1.1
282.16306	4.2
283.17093	4.8
293.15582	1.6
295.16858	0.8
339.23260	100.0
340.23526	6.5
341.07318	0.7
351.23343	7.3
515.35272	79.8
516.35651	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	516.172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	8.3
59.01073	1.2
59.01380	41.2
61.98830	100.0
69.22423	4.2
70.23682	0.5
71.01385	14.7
71.01778	0.8
72.99324	1.1
73.02946	18.4
83.01389	5.1
83.05048	0.6
85.02961	2.0
87.00930	0.8
89.02444	4.4
93.03481	0.6
95.01399	1.2
96.96016	0.7
97.02992	0.6
99.04516	9.1
101.02442	20.9
102.05605	2.0
105.65762	0.5
108.25769	0.4
109.03008	0.7
113.02464	5.1
119.03520	1.6
123.04543	0.6
125.02438	4.7
128.03531	3.2
131.03496	1.3
133.02940	0.7
134.03764	0.7
135.04463	2.5
143.03506	2.3
143.52211	0.6
145.10284	0.8
149.04556	3.9
155.03546	0.6
156.50586	0.6
161.02502	1.7
161.04561	8.7
171.08153	3.3
173.04523	0.8
177.01898	1.0
179.03482	0.6
187.11281	56.3
188.11644	1.9
190.56543	0.5
191.05502	0.6
203.05632	0.7
212.86476	0.5
221.06670	1.8
373.22452	1.8
379.07166	0.5
387.24164	0.7
415.23352	0.7
453.97699	0.5
516.28210	8.1
517.26898	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	516.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51442	1.0
56.16698	1.1
57.03456	6.3
59.01377	20.3
60.01698	1.4
61.98838	16.1
71.01364	5.8
71.41431	2.1
72.99309	26.8
73.02937	3.2
73.99666	1.5
74.02470	2.9
83.01360	1.8
84.04548	2.9
85.02972	1.9
87.00877	2.1
89.02453	2.5
93.03439	2.7
96.96018	1.2
97.01173	1.9
97.04073	1.8
97.06576	1.9
99.04512	6.5
100.00407	16.5
100.04868	1.2
101.00735	2.7
101.02422	7.2
102.05629	10.7
109.02961	1.2
113.02448	2.9
116.05041	1.9
119.05022	1.9
123.04535	1.3
123.08154	1.9
125.02422	4.1
128.03546	30.2
132.02144	2.2
133.02962	24.8
134.03238	11.3
135.04533	36.4
136.04855	12.7
137.00673	1.1
137.02409	1.3
139.02171	1.6
139.11244	2.9
146.04614	2.6
146.13863	1.2
152.01683	2.5
153.02048	1.7
154.03294	1.4
156.13968	1.2
161.02441	77.7
161.04581	2.9
162.02769	37.4
164.01721	3.3
165.02072	2.0
167.10687	1.3
171.10229	1.1
173.04532	5.5
174.05618	1.1
175.03874	1.2
176.01730	5.2
177.02118	6.0
178.03305	11.1
179.03539	30.5
180.03850	10.1
181.05238	2.1
185.11815	4.3
189.02441	1.8
190.03365	5.8
191.03619	6.1
192.04872	8.7
193.05215	8.5
197.04517	1.6
201.06538	1.1
202.06981	1.6
204.04881	4.5
205.05170	3.8
219.03378	1.6
220.00743	4.2
220.04285	2.1
221.01146	3.1
234.02106	1.4
235.02919	2.0
235.05453	29.6
236.03703	1.6
236.05801	26.8
237.04881	2.4
247.05453	3.5
248.05913	2.1
249.04243	2.6
263.02448	1.5
264.03098	2.6
265.03745	2.0
279.04507	17.0
280.04742	17.4
281.04117	2.2
291.04428	22.6
291.19705	1.3
292.04739	31.0
293.04434	4.3
307.22864	1.2
309.05478	13.2
310.05774	16.7
311.05392	2.6
325.23755	8.6
327.21744	28.6
328.22406	1.4
335.03500	7.6
336.03754	13.2
337.03381	1.9
353.04465	24.9
354.04773	40.6
355.04495	6.7
372.21106	1.3
373.26175	1.1
376.33090	1.4
387.23895	7.7
412.26935	6.4
454.28021	1.8
456.25903	3.1
498.26923	3.6
515.99982	1.8
516.07922	33.2
516.28180	100.0
517.07904	3.4
517.28851	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99400	0.4
57.03432	1.5
59.01376	10.1
60.01731	0.5
61.82462	0.4
61.98597	0.3
61.98830	4.4
69.03439	0.3
69.55511	2.8
71.01387	1.9
72.04544	0.5
72.99305	2.5
73.02949	0.8
84.04559	2.4
85.02942	0.8
88.98745	0.4
89.02435	0.8
90.02707	0.5
96.95977	0.5
97.06587	1.2
99.04522	2.2
100.00397	1.5
100.04869	0.5
101.02435	1.3
102.05605	9.3
111.08102	0.5
113.02433	1.1
114.09232	0.6
119.03475	0.5
119.05019	0.5
120.03886	0.4
120.99662	0.5
123.08138	1.1
125.02457	0.8
126.02770	0.5
128.03535	30.0
133.02972	2.5
134.03340	0.6
135.04543	3.6
136.04852	1.1
138.48775	0.3
139.11263	2.7
146.04555	1.4
153.05553	0.7
156.13959	0.4
161.02431	6.3
161.04523	0.9
162.02759	3.0
164.01755	0.4
167.10750	0.8
173.04477	1.4
175.04079	0.4
176.01668	0.8
177.02032	0.6
178.03246	1.2
179.03528	2.8
180.03773	1.5
184.13405	0.5
185.11798	4.8
190.03206	0.3
192.04781	0.5
193.05174	0.4
198.18593	1.9
214.12120	0.4
215.12842	0.5
220.27634	0.4
226.18080	1.3
235.05476	2.4
235.37546	0.4
236.03725	0.4
236.05807	2.6
249.04233	0.4
279.04501	1.1
280.04727	1.1
291.04309	1.9
291.19623	1.7
292.04730	2.5
293.04205	0.4
307.22772	0.5
309.05591	1.1
309.20679	1.7
310.05817	1.8
325.23822	9.6
327.21741	28.4
328.22092	1.7
335.03549	0.9
336.03665	0.7
353.04279	2.4
354.04825	4.2
355.04156	0.6
369.22699	0.8
387.23886	8.6
388.23782	0.5
410.29181	1.6
411.29379	0.5
412.27042	6.7
413.26886	0.5
438.24911	0.8
454.27905	1.7
456.26050	4.7
457.77692	0.4
498.26755	2.0
516.08112	2.7
516.28107	100.0
517.28571	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	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.0
57.03446	87.1
59.01376	100.0
61.98540	1.2
61.98830	16.3
69.78374	4.5
71.01379	24.6
72.99289	1.8
73.02938	10.7
81.03432	1.2
83.01385	5.4
85.02948	13.3
87.00892	1.9
88.75724	1.3
89.02448	7.3
95.01380	2.0
96.95985	1.6
97.02969	1.0
99.00875	3.9
99.04515	91.2
100.04867	0.8
101.02435	38.2
102.05573	1.0
111.00854	1.0
113.02453	9.7
119.03497	1.9
119.05089	0.8
125.02441	30.7
128.03526	1.6
129.01866	1.3
135.04512	1.9
143.03516	4.9
159.02943	2.5
161.02354	2.3
161.04523	8.3
181.04764	0.9
187.11270	3.4
188.11559	3.0
197.11703	0.9
373.22281	22.6
415.23279	6.3
455.26556	2.0
517.29651	28.8
518.30566	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	518.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16108	0.7
57.03448	1.6
59.01377	5.4
61.98829	14.6
69.72303	3.4
71.01375	1.7
72.99305	58.7
73.02941	1.3
85.02946	1.2
87.00880	1.5
93.03462	0.7
97.06589	7.3
97.96991	0.7
98.20660	0.9
101.02425	2.6
103.00468	0.9
109.02929	1.1
119.04963	0.8
121.02945	5.2
123.04523	3.8
128.03564	0.8
129.07846	0.8
133.02954	15.8
134.03714	2.7
135.04529	7.4
137.02431	2.8
147.04491	1.0
149.06061	1.3
150.03180	1.9
151.04027	1.6
159.08157	1.0
161.02434	73.1
162.02783	2.1
163.07559	1.0
165.09186	0.9
172.05276	1.2
173.06046	1.8
174.06830	0.9
175.03926	0.9
175.07603	3.1
176.04749	1.9
177.01952	1.5
178.02721	6.2
179.03500	4.8
183.59491	0.7
184.05399	0.9
187.04005	0.9
187.07626	19.7
190.06343	5.0
197.04462	1.3
201.09172	2.2
202.06339	3.3
203.07005	0.7
203.10745	1.8
205.08664	3.9
210.21585	0.8
213.09200	5.6
215.07068	2.4
216.07829	0.9
219.10240	19.0
229.08627	1.3
231.10252	14.7
249.11354	0.9
257.08167	2.2
270.18311	0.8
275.09186	11.1
293.10297	100.0
294.10617	4.1
319.08450	1.7
373.25986	1.5
374.26303	1.8
375.27408	0.9
455.13443	51.3
456.13757	2.8
518.30231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
59.01377	42.2
60.49203	0.6
61.98827	100.0
69.03454	0.5
69.76466	2.4
71.01377	9.9
72.99313	0.7
73.02940	12.9
83.01387	3.7
85.02944	1.9
88.98785	0.9
89.02441	4.3
95.01385	0.7
95.01959	0.6
96.96045	0.7
100.57520	0.4
101.02432	16.3
102.05607	0.8
113.02446	6.7
116.50439	0.5
119.03492	2.7
125.02480	0.9
128.03545	1.8
128.79657	0.6
131.03490	1.9
134.70018	0.5
135.04579	0.6
136.01468	0.4
137.09727	2.7
143.03535	1.9
149.04532	3.3
161.04546	7.0
179.66682	0.5
186.12834	0.5
189.12880	1.3
193.51915	0.5
203.05705	1.2
221.06708	2.2
245.68060	0.5
304.98328	0.5
389.25455	2.2
411.20401	1.1
474.30026	0.5
483.63489	0.5
518.29504	6.1
518.35675	0.5
542.10156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.6
59.01378	37.0
61.98828	100.0
71.01380	8.9
71.28363	0.6
72.99300	1.4
73.02942	12.5
74.88078	0.7
83.01386	3.1
85.02959	2.3
87.00884	0.8
88.15486	0.6
89.02433	4.3
93.03447	0.6
96.96025	0.7
99.04527	0.9
101.02441	14.4
102.05615	0.9
109.02978	0.8
113.02457	5.8
116.92892	0.6
119.03516	2.4
125.02490	1.2
128.03561	1.5
131.03499	1.9
133.02980	1.1
135.04533	2.5
136.04939	0.7
137.09737	2.8
143.03479	1.1
149.04527	3.4
151.00380	1.3
158.93858	0.6
161.02461	1.9
161.04564	5.9
163.04024	0.9
171.04478	0.8
173.04565	1.5
175.03995	0.9
177.01981	0.9
178.99825	0.8
181.04951	0.8
189.12822	0.9
199.04022	2.4
201.01883	0.7
203.05502	0.8
215.03525	1.9
221.06673	1.7
227.03506	2.3
242.02209	4.8
243.02968	19.9
243.05304	1.2
257.04507	6.1
270.01709	5.3
271.02463	20.8
285.04022	11.5
286.04929	3.1
299.02020	4.3
300.02728	2.1
314.04318	23.2
315.05020	4.0
357.06274	1.5
408.72089	0.7
518.30109	2.7
519.11407	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42037	0.3
53.79436	0.2
59.01369	0.7
61.98827	3.3
70.54946	0.3
71.52448	0.3
78.35233	0.3
78.95902	66.6
95.29143	0.3
96.96960	5.3
105.78352	0.3
124.19637	0.3
150.98024	1.6
152.99579	100.0
153.99930	0.9
163.74181	0.3
171.00624	2.5
277.21695	2.2
408.73642	0.3
431.21994	47.2
432.22369	2.5
434.73669	0.3
474.37549	0.3
518.25146	7.3
518.32385	0.4
519.26880	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62538	0.2
61.98811	0.6
68.90263	0.2
70.83714	0.4
78.95900	43.1
95.22201	0.2
96.96368	0.5
96.96958	5.7
150.98035	1.6
152.99576	100.0
153.99849	0.6
154.46451	0.2
171.00645	3.6
277.21570	1.4
278.21936	0.6
431.21976	25.9
432.22388	1.0
438.21609	0.2
518.25195	6.1
519.25598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
58.00600	0.5
59.01380	4.0
61.98814	1.6
71.01364	1.4
71.05017	1.3
71.51421	0.9
73.02940	0.8
74.02497	0.6
77.15644	0.5
83.05025	0.6
84.04543	1.8
85.02961	1.6
85.06603	0.7
87.04517	2.3
93.03467	0.8
97.06580	0.5
99.04516	0.6
101.02441	1.2
102.05611	11.4
106.06631	9.3
109.02964	0.5
114.09228	0.8
119.05068	0.7
123.04504	0.7
125.09689	0.7
128.03542	29.3
129.03854	0.5
135.04503	1.6
137.09695	2.0
139.11290	2.2
146.04587	3.3
150.05598	9.8
155.10669	0.5
161.02420	1.0
164.07117	1.4
179.03516	0.9
185.11794	3.0
192.06657	1.5
194.04597	0.5
198.18623	3.5
213.69089	0.5
215.12903	3.2
226.18140	1.7
287.18655	1.5
296.07773	2.4
300.02841	0.5
301.20309	3.9
321.03970	1.4
323.21982	0.6
329.23380	1.2
336.05258	0.5
341.23328	2.4
371.24341	2.3
372.23743	0.7
379.16199	0.5
386.25446	1.1
389.25421	32.6
390.25720	2.0
395.41403	0.5
456.29593	1.0
474.30820	4.8
500.28784	2.9
516.73218	0.5
518.15167	2.9
518.29694	100.0
519.09308	0.9
519.29987	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.114
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01368	0.5
65.00323	0.7
69.22070	3.1
78.37462	0.3
83.01398	0.7
96.36053	0.3
97.25026	0.3
98.88106	0.3
102.05598	0.5
107.01367	1.3
108.02175	0.4
128.03531	1.6
135.00854	0.4
136.55714	0.3
143.04961	0.4
145.02908	1.3
146.83424	0.3
148.01740	0.5
151.00381	4.3
155.05016	0.7
157.02933	0.5
159.04527	0.7
161.02466	0.4
163.00417	0.6
167.05089	0.4
169.02917	0.3
171.04475	0.6
183.04483	2.7
185.02408	0.7
187.03998	0.9
190.31783	0.3
198.03113	0.3
199.03978	8.1
200.04631	0.4
201.01897	0.7
203.03453	0.9
211.03979	1.2
215.03497	2.4
226.02666	0.5
227.03511	7.0
228.04048	0.5
242.02177	2.6
243.02960	27.0
244.03497	1.8
254.02187	0.7
255.02979	16.9
256.03516	0.9
257.04529	2.5
259.06161	0.7
260.51898	0.3
270.01770	2.0
271.02457	40.2
272.02969	3.7
285.04004	4.6
285.99179	0.3
286.04776	1.5
287.05682	1.1
295.06250	0.4
299.01947	71.5
300.02689	25.6
301.03110	1.1
313.03552	0.8
314.04303	52.0
315.05069	100.0
316.05359	3.9
321.03876	1.6
339.05029	0.6
357.06204	0.8
389.25430	0.9
390.25928	0.6
415.49106	0.4
496.51465	0.4
518.29443	1.8
519.11401	55.8
519.29785	2.1
520.11743	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	519.1141
Annotation	Isorhamnetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.03434	0.7
59.01382	7.7
59.23789	0.4
61.98830	16.9
65.00304	0.4
69.52119	1.0
69.52526	1.6
71.01385	2.2
72.99297	0.7
73.02923	2.0
83.01388	0.9
85.02975	0.8
89.02431	0.7
92.25243	0.4
93.03456	0.4
93.56298	0.5
96.95992	0.7
98.20692	0.5
99.04506	0.6
101.02437	2.6
102.02779	0.5
107.01381	1.0
109.02951	0.9
110.48747	0.4
113.02403	1.0
116.92838	0.9
119.03483	0.5
121.02924	0.6
123.04485	0.7
125.02448	1.2
133.02957	0.5
135.04485	1.3
145.02869	0.4
146.91975	0.5
149.04565	0.5
151.00340	2.2
153.01984	0.8
154.43274	0.5
158.66341	0.4
159.02986	0.4
161.02477	1.1
161.04498	0.6
164.00908	0.4
171.04466	0.9
173.04515	1.2
175.04076	0.5
178.99799	0.6
179.03604	0.5
187.03964	0.6
199.03979	4.2
201.01933	1.4
203.03560	0.8
215.03497	3.0
225.01941	0.5
226.02786	0.7
227.03476	4.2
229.01450	0.9
242.02170	8.8
243.02962	38.7
244.03369	1.8
255.02843	0.9
257.04544	11.1
270.01648	12.0
271.02454	39.9
272.02780	1.6
285.04053	22.9
286.04770	7.6
299.01981	7.8
300.02725	3.6
311.05713	0.6
314.04312	41.2
315.05002	7.9
321.04068	1.1
339.04947	1.2
357.05972	2.0
408.69177	0.5
469.60672	0.5
519.11414	100.0
520.11749	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	519.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01382	7.7
59.23789	0.4
61.98830	16.9
65.00304	0.4
69.52119	1.0
69.52526	1.6
71.01385	2.2
72.99297	0.7
73.02923	2.0
83.01388	0.9
85.02975	0.8
89.02431	0.7
92.25243	0.4
93.03456	0.4
93.56298	0.5
96.95992	0.7
98.20692	0.5
99.04506	0.6
101.02437	2.6
102.02779	0.5
107.01381	1.0
109.02951	0.9
110.48747	0.4
113.02403	1.0
116.92838	0.9
119.03483	0.5
121.02924	0.6
123.04485	0.7
125.02448	1.2
133.02957	0.5
135.04485	1.3
145.02869	0.4
146.91975	0.5
149.04565	0.5
151.00340	2.2
153.01984	0.8
154.43274	0.5
158.66341	0.4
159.02986	0.4
161.02477	1.1
161.04498	0.6
164.00908	0.4
171.04466	0.9
173.04515	1.2
175.04076	0.5
178.99799	0.6
179.03604	0.5
187.03964	0.6
199.03979	4.2
201.01933	1.4
203.03560	0.8
215.03497	3.0
225.01941	0.5
226.02786	0.7
227.03476	4.2
229.01450	0.9
242.02170	8.8
243.02962	38.7
244.03369	1.8
255.02843	0.9
257.04544	11.1
270.01648	12.0
271.02454	39.9
272.02780	1.6
285.04053	22.9
286.04770	7.6
299.01981	7.8
300.02725	3.6
311.05713	0.6
314.04312	41.2
315.05002	7.9
321.04068	1.1
339.04947	1.2
357.05972	2.0
408.69177	0.5
469.60672	0.5
519.11414	100.0
520.11749	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	519.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	6.5
57.93880	1.5
59.01379	100.0
61.98830	9.4
71.01389	8.4
71.52312	1.9
71.90704	1.4
72.99312	8.0
73.02939	6.2
77.63637	1.5
79.70665	1.3
81.03454	2.8
83.01373	2.0
85.02972	2.9
88.98792	1.7
89.02426	3.2
93.03454	1.8
99.00885	3.8
99.04530	4.3
101.02446	5.5
102.37720	2.0
103.00372	95.6
108.02177	3.2
109.02962	4.7
113.02455	2.4
119.05062	1.8
120.11369	1.5
121.02943	2.8
123.04512	9.1
125.02429	2.7
131.71056	1.7
133.02975	4.8
135.04488	16.0
137.02475	1.7
152.01128	2.6
153.01872	2.2
153.05566	7.4
161.02440	16.0
162.02763	2.1
172.05379	2.0
173.04536	4.3
173.70398	1.5
177.01949	4.9
179.03459	5.3
187.07637	2.7
191.05598	3.3
193.05067	1.6
223.08713	2.1
230.04565	1.9
235.08824	3.7
239.08104	1.8
247.08650	2.8
251.08287	2.3
263.08148	9.4
265.09799	2.9
279.07742	2.8
291.07776	14.8
293.04977	1.7
293.10135	3.0
294.10590	4.4
295.06390	2.0
295.10736	1.8
307.07278	1.8
309.08908	9.1
310.09271	2.0
311.05557	2.2
319.07187	4.7
321.04202	3.9
323.10275	4.4
336.07547	6.1
339.04971	9.1
339.09348	2.7
341.11368	2.4
342.12253	2.3
351.09875	10.8
353.11221	2.1
357.06277	2.5
369.10788	3.4
375.27640	2.4
383.12436	24.0
401.13669	20.2
411.12027	11.0
415.15106	14.2
433.16080	12.7
443.14560	31.2
456.13733	3.8
475.17288	22.4
475.23880	3.0
487.30811	2.3
519.09399	4.4
519.32159	19.3
535.02600	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	519.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.1
57.03448	72.0
58.18674	0.6
59.01380	100.0
59.83015	0.7
61.98821	1.5
69.66626	3.4
71.01382	14.3
72.99336	1.1
73.00171	0.6
73.02942	5.1
75.00848	0.7
81.03463	2.5
83.01393	3.7
85.02947	7.7
87.00878	1.1
89.02436	1.0
95.01361	1.0
97.02942	0.8
99.00879	1.7
99.04518	93.3
101.02437	25.2
109.02975	0.7
111.00909	0.8
113.02444	5.0
116.92840	1.5
123.04494	1.7
124.56845	0.6
125.02442	38.0
133.02963	1.2
135.04536	1.6
141.94955	0.6
143.03531	3.0
153.05568	1.4
157.73537	0.6
159.03008	0.9
161.02412	2.1
161.04617	3.2
161.05759	0.6
173.04472	0.7
177.01941	1.2
179.03432	0.9
247.43919	0.6
321.03986	0.9
333.32483	0.7
339.04889	1.0
357.19034	1.3
375.20215	20.8
375.27478	1.6
376.20435	1.1
391.41745	0.6
398.51520	0.8
417.21280	6.9
457.23801	1.0
475.25052	1.9
519.08752	1.1
519.24847	4.9
519.31018	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.0
59.01376	22.4
61.98833	7.0
69.03430	1.8
71.01390	5.4
71.05009	1.0
71.41203	1.0
72.99287	2.6
73.02917	2.0
78.37537	0.6
83.01363	1.3
85.02955	3.6
87.00871	1.3
89.02442	3.3
93.03458	0.7
94.45097	0.6
95.01356	0.7
96.95986	0.8
99.00875	0.8
99.04527	1.4
101.02442	6.0
113.02428	3.6
116.92843	1.2
119.03498	1.9
119.05004	0.8
123.04502	2.3
125.09675	0.8
133.02931	1.4
135.04518	3.6
149.09656	0.8
153.05544	2.2
159.04472	0.7
161.02393	2.6
161.04546	1.6
163.03960	0.7
167.10736	3.1
173.04538	1.5
179.03537	1.2
179.10815	1.0
179.14436	3.7
195.13875	9.4
205.12325	10.1
223.13379	100.0
224.13692	3.5
235.08278	0.9
250.42137	0.6
253.09291	16.8
315.16016	0.7
339.25488	2.0
357.26471	4.1
375.20282	1.9
417.21423	0.9
459.22357	13.4
460.22849	0.7
461.25497	0.6
501.30850	0.7
519.31812	26.3
520.32074	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.0
57.03441	2.6
59.01376	22.9
61.98830	8.5
71.01380	7.4
71.52082	1.3
71.52501	1.5
72.99304	2.2
73.02940	1.1
78.69762	1.1
85.02947	3.4
89.02453	4.3
93.03469	1.5
93.57220	1.1
99.04551	3.5
101.02451	6.4
109.02967	1.4
113.02463	2.0
116.12969	1.0
119.03480	1.4
119.99229	1.2
123.04514	3.6
133.02910	1.6
135.04523	6.0
145.02927	1.6
152.01120	1.2
153.05569	1.9
161.02426	5.1
161.04526	1.4
163.03976	1.8
167.10800	2.6
173.04564	1.2
175.02907	1.2
179.03445	3.1
179.10760	1.3
179.14413	2.6
181.05051	1.3
185.02385	1.3
188.53081	1.1
195.13882	8.7
205.12358	10.0
223.13380	100.0
224.13748	4.4
247.13216	1.3
253.09322	15.7
321.04004	1.3
327.73297	1.0
329.23312	1.2
339.25650	2.0
357.22598	1.8
357.26434	9.5
438.84552	1.2
459.22418	15.9
519.31824	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	519.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.8
57.03440	1.1
58.00576	0.6
59.01379	7.6
61.98830	2.1
69.65845	1.3
71.01382	6.8
72.99290	0.7
73.02950	1.6
83.01384	1.3
85.02945	3.3
87.00884	0.3
89.02449	1.8
95.01392	0.7
99.00899	0.6
99.04497	0.3
101.02447	4.1
109.03040	0.3
113.02435	1.9
119.03500	0.5
121.02911	0.4
125.02381	0.5
129.01881	0.4
133.02896	0.3
135.04501	1.2
139.11205	0.3
153.85585	0.3
161.02379	0.5
178.42915	0.3
179.03496	0.5
185.11855	2.4
195.49246	0.3
297.24158	0.5
309.24384	0.9
311.26007	0.4
321.24460	0.6
323.25858	1.0
325.23959	0.6
327.22116	0.3
327.25394	8.9
328.25800	0.4
339.25366	8.0
340.25842	0.6
341.26959	5.7
355.24789	0.6
357.26434	20.3
358.26740	1.1
412.34430	0.3
456.15411	0.3
489.30780	1.1
498.41162	0.3
501.30576	0.9
519.31720	100.0
520.32043	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	519.3172
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01866	1.0
57.03436	0.9
58.00605	0.6
59.01377	11.1
61.14023	0.2
61.98826	1.1
63.75877	0.2
70.05571	0.3
71.01383	7.5
72.99305	0.8
73.02947	1.5
78.43969	0.2
82.25964	0.2
83.01377	1.3
85.02957	3.1
87.00890	0.7
89.02442	3.3
95.01392	0.8
99.00877	0.6
101.02448	4.8
113.02448	2.4
119.03500	0.8
123.04478	0.5
125.02494	0.3
133.02982	0.3
135.04482	0.7
138.42865	0.2
153.05589	0.5
161.02444	0.9
162.02914	0.3
167.72809	0.2
173.04436	0.3
179.03444	0.4
185.11864	1.0
199.13380	0.9
212.99030	0.3
216.79022	0.2
229.18918	0.3
297.24222	0.5
309.24323	1.2
311.26038	0.4
321.24454	0.4
325.24072	0.5
327.25366	6.4
328.25876	0.3
328.79855	0.2
331.03677	0.3
339.25339	7.6
340.25757	0.4
341.26944	1.7
357.26440	17.5
358.26752	0.6
375.27533	0.4
399.28012	0.3
501.30701	0.7
517.99286	0.3
519.31702	100.0
520.32001	7.1
549.72308	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	9.6
59.01378	32.2
61.98812	17.5
69.42211	15.2
71.01363	10.1
72.76970	2.6
72.99296	5.0
73.02942	4.1
83.05007	5.7
85.02926	4.8
87.00850	3.7
89.02434	4.5
92.35427	2.5
93.03454	6.4
95.01369	3.2
96.96008	3.5
99.00866	3.0
99.04494	9.2
101.02427	10.5
108.02164	6.4
108.14016	2.2
109.02956	9.5
113.02419	4.7
116.92883	3.6
119.04949	3.5
121.02975	2.7
123.04504	14.1
125.02424	4.3
133.02942	3.8
134.03676	4.8
135.04538	13.5
137.02403	3.5
152.01126	6.0
153.01862	5.5
153.05566	13.2
161.02437	8.0
163.11316	4.9
165.12784	3.2
169.12302	2.6
173.04539	8.5
177.01823	6.4
179.03522	4.9
183.10162	3.3
187.07674	2.7
191.05533	3.2
193.05183	3.3
209.11804	100.0
213.11337	3.4
227.12871	49.4
239.74907	2.7
259.15506	4.1
309.04022	3.1
321.04092	4.4
339.04855	3.1
340.05548	3.3
357.15540	4.8
375.19861	3.1
375.27484	3.2
445.49243	2.6
475.25198	11.1
503.82999	3.0
519.31232	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75277	0.7
56.35142	0.7
59.01381	0.9
62.98520	0.8
66.77842	0.7
71.05020	1.3
71.52818	0.9
78.95888	5.4
96.96941	0.9
97.02935	4.7
97.06626	1.2
99.00882	12.2
100.28515	0.8
105.34391	0.8
125.09744	3.6
130.76721	0.9
142.02658	1.0
144.60515	0.7
152.99571	7.4
155.14343	1.0
163.11258	7.6
181.10846	1.6
181.12326	18.2
186.36214	0.7
195.13885	1.5
199.13412	8.3
207.10239	41.0
208.10555	1.1
218.35272	0.8
223.13474	0.8
225.11299	65.0
226.11609	2.0
243.12344	100.0
244.12648	2.9
263.02063	0.7
275.20050	1.6
293.21213	21.0
293.34253	0.9
294.21442	0.8
304.53665	0.8
519.33221	53.7
520.33502	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	520.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
59.01377	64.3
61.98828	100.0
69.09000	0.5
69.15665	4.5
71.01379	5.2
72.99300	0.8
73.02947	1.4
83.01398	0.9
85.02443	0.4
85.02945	2.1
86.03232	0.5
88.92551	0.5
88.98799	1.3
89.02441	1.1
96.95977	0.5
98.20636	1.2
99.00886	0.5
101.02443	3.2
113.02438	2.1
127.22864	0.4
134.03690	0.7
135.04504	1.2
136.82898	0.5
161.02391	0.8
161.04472	1.3
185.02524	0.5
193.05067	1.1
207.10271	1.1
241.05194	0.6
305.04135	0.6
353.19672	2.8
371.20767	4.8
413.21732	10.3
414.22006	0.9
448.36780	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
57.03445	1.1
58.17305	0.4
59.01378	59.8
60.01683	0.4
61.98828	100.0
62.19204	0.4
69.60448	1.9
71.01391	5.1
72.99290	0.6
73.02945	1.9
75.00884	0.3
83.01387	0.7
85.02950	3.3
86.43324	0.4
88.64879	0.4
88.98793	0.4
89.02426	1.2
90.54061	0.3
93.03452	0.7
99.00868	0.8
99.63422	0.3
100.59506	0.5
101.02446	4.1
101.60403	0.4
109.02933	1.0
110.35911	0.4
113.02427	2.4
119.05033	0.6
123.04474	0.4
128.03499	0.7
129.79965	0.4
134.03673	0.5
134.06062	1.4
135.04539	2.3
140.01012	0.3
161.02409	1.3
161.04489	1.9
173.04474	1.1
179.03433	1.0
209.15324	1.4
217.44980	0.4
243.02838	0.8
244.03142	1.0
271.02124	0.9
272.02612	1.1
281.08954	0.8
286.04398	0.6
293.09122	0.5
295.05862	0.5
314.04044	0.8
315.04361	1.4
330.23248	0.4
353.19608	4.5
358.06177	0.5
371.20691	9.0
375.26678	0.4
413.21768	12.1
414.21869	0.9
460.18619	1.9
480.02463	0.4
519.29810	0.7
520.11060	4.5
520.20374	1.9
520.30139	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	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95090	0.6
57.03446	1.4
59.01377	33.5
61.98828	100.0
66.16857	0.5
68.45281	0.5
69.22455	1.4
69.22862	3.8
71.01384	2.5
73.02950	1.6
77.48089	0.5
85.02950	0.9
89.02473	0.7
95.92094	0.5
99.04531	1.3
101.02444	2.1
113.02465	1.2
128.03568	0.9
151.03964	2.8
161.04555	0.7
179.05716	0.7
243.03537	0.6
371.20837	0.9
391.27414	0.7
413.21890	2.0
520.31171	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	520.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.9
57.57215	0.6
57.89059	0.5
58.71632	0.6
59.01381	42.7
61.98831	100.0
69.53212	1.4
69.53619	2.7
71.01385	5.2
72.01715	0.6
72.99321	2.2
73.02956	2.1
78.95928	0.8
83.01384	0.8
85.02966	1.8
87.00886	1.0
88.98800	1.0
89.02467	1.6
90.41197	0.8
99.04520	2.0
99.61521	0.7
99.62574	0.6
100.04858	0.6
101.02449	3.9
109.02970	5.4
112.34356	0.8
113.02464	2.8
114.02789	0.7
119.03526	1.2
119.05055	2.0
121.02978	0.8
123.04500	1.5
125.02448	1.3
128.03479	0.7
133.02997	0.8
134.03738	0.8
135.04536	4.8
137.02428	1.2
140.85608	0.5
145.03001	2.3
147.04497	6.3
152.01366	0.6
157.03058	1.0
159.04510	5.0
161.02451	2.1
161.04593	1.8
163.04002	1.6
167.03572	0.8
173.04527	0.8
175.04010	1.4
177.01959	1.1
179.03528	1.4
179.05652	0.7
181.05061	2.4
181.12326	0.8
182.24095	0.6
183.19173	0.6
183.71291	0.6
185.02492	2.0
193.05043	2.4
193.06630	0.6
203.03586	0.8
207.10330	3.0
209.12096	0.7
225.11310	4.3
227.12865	0.7
229.01422	8.9
249.05588	1.6
253.04987	1.0
253.09555	0.6
267.06604	5.7
268.07599	0.9
269.08188	3.5
272.02869	0.7
277.05191	2.7
280.03723	0.8
290.48349	0.7
293.04437	1.7
294.05414	1.0
295.06070	7.0
300.02542	1.0
307.76944	0.6
313.07361	1.8
315.05130	1.3
316.05402	1.6
322.04526	0.8
339.05078	22.8
339.09000	1.3
357.06006	1.2
359.07550	1.1
371.21017	1.0
413.21890	3.4
461.20282	2.3
520.13214	1.4
520.21606	4.3
520.31555	1.9
521.26324	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	520.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46094	0.2
58.39474	0.2
61.73926	0.2
62.96409	0.3
65.81051	0.2
71.01342	0.7
73.14091	0.2
78.95900	64.8
81.56315	0.3
85.61260	0.2
96.96954	5.6
104.09538	0.2
150.98019	1.8
152.99576	100.0
153.99922	1.1
171.00644	2.9
279.23260	1.9
433.23557	44.6
434.23935	2.8
520.26855	7.5
521.26953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73785	0.2
69.34981	1.4
69.35402	1.0
78.95900	41.9
96.96958	5.8
117.60608	0.3
139.76524	0.3
150.98041	1.8
152.99577	100.0
153.99939	0.8
154.38593	0.3
171.00650	3.6
240.02954	0.3
279.23334	1.2
351.17749	0.3
433.23563	29.5
434.23782	1.8
520.26685	6.8
521.27191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79624	1.6
61.98828	100.0
70.70783	1.5
71.00105	3.1
72.50390	1.6
96.11745	1.6
115.96288	1.4
152.99467	1.6
159.81491	1.7
196.88948	1.8
372.36417	1.8
399.74936	1.7
443.80585	1.7
538.49921	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
58.02967	7.0
59.01373	6.4
61.98831	6.1
64.68700	0.9
70.02985	1.1
71.01386	2.3
71.51181	1.2
73.02934	1.9
74.00669	1.2
74.02467	14.9
82.02985	5.9
83.01385	5.8
83.02475	0.9
85.04062	1.7
86.06097	1.3
87.05621	4.5
89.02446	1.0
93.03446	1.0
96.04541	7.8
96.96008	1.9
97.04072	11.3
98.02471	4.5
99.05626	9.0
100.00398	6.6
100.04058	1.5
101.02432	5.0
105.99678	15.6
108.04527	8.3
109.04093	1.5
110.02450	2.1
112.04045	9.1
112.07698	7.5
113.02400	1.4
113.03550	6.2
116.92842	2.4
121.02930	1.1
122.06082	2.2
123.04508	1.9
124.04058	9.4
125.03558	2.6
125.04829	1.7
126.05614	2.6
127.05132	9.1
127.08781	1.2
131.02803	1.0
131.04604	1.0
135.04543	2.7
137.02489	1.0
137.07208	5.2
138.05629	1.3
140.01738	1.6
140.07167	11.9
142.03360	2.0
143.04616	3.8
150.04384	0.9
151.05103	2.3
152.03490	4.3
153.05554	2.6
153.06705	1.4
155.07024	1.9
155.08247	23.6
158.02745	4.0
161.04518	1.0
165.06677	14.7
166.05070	1.9
167.03481	1.2
169.06151	2.6
172.37250	0.8
177.03395	2.1
181.06099	2.5
183.07739	27.3
183.09299	2.1
186.02267	1.6
197.05716	1.3
210.26691	1.0
215.06712	4.3
225.05202	2.3
227.06725	67.1
228.07028	2.1
259.03915	39.6
261.05487	100.0
262.05707	2.7
293.02646	2.3
345.01144	1.0
425.44363	1.0
521.10223	17.7
522.10455	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	521.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63448	1.4
57.03427	2.6
58.02973	6.6
59.01377	11.0
61.98832	8.2
71.01366	4.4
71.50319	1.8
72.00886	1.8
72.99323	1.8
73.02927	2.4
74.00686	1.1
74.02467	16.8
77.68233	1.1
82.02972	5.4
83.01383	5.0
85.02950	2.4
87.05637	7.5
88.98801	2.0
89.02424	2.4
93.03461	1.3
96.04551	9.4
96.96001	3.0
97.04063	9.7
98.02463	4.6
99.05646	13.0
100.00397	6.4
101.02448	6.0
105.99683	18.4
108.04551	7.9
109.02903	1.5
109.04028	2.2
110.02465	3.4
112.04043	11.4
112.07666	9.2
113.02410	2.6
113.03566	5.3
116.92865	2.9
121.02969	2.1
122.06092	3.9
123.04491	3.8
124.04056	8.6
125.02552	1.1
125.03551	3.0
125.04852	3.2
126.05645	2.6
127.05103	10.0
131.04605	2.1
133.03053	1.3
135.04501	2.7
137.02408	1.2
137.07170	6.8
137.96835	1.1
138.05594	2.2
140.07173	13.6
142.03246	1.5
143.04617	3.0
150.04375	1.3
151.05128	3.1
152.03506	6.2
153.05548	2.8
155.08253	22.0
158.02721	5.6
165.06667	17.3
166.05054	1.9
167.03387	2.8
169.06151	2.2
173.04489	3.3
177.03352	1.6
181.06166	2.6
183.07739	23.9
215.06714	4.3
225.05119	3.3
227.06712	78.5
228.07182	1.8
259.03918	44.5
260.04092	1.2
261.05472	100.0
262.05780	2.9
293.02740	1.7
293.36005	1.2
323.76398	1.4
477.20071	1.7
521.10052	20.5
522.10657	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	521.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35601	0.7
54.92853	0.8
57.03433	1.9
57.48703	0.9
59.01380	54.7
60.01707	2.9
61.98830	48.0
62.75827	0.8
69.30984	5.0
69.31390	1.6
71.01381	10.2
72.99309	12.6
73.02942	3.0
75.00819	1.1
82.11685	0.8
83.01381	1.9
85.02944	3.5
87.00875	0.9
88.98817	0.9
89.02442	3.5
93.03418	2.4
97.02929	2.2
99.00874	5.1
99.04512	2.0
101.02436	8.5
108.02175	3.8
109.02956	39.4
109.06615	0.9
113.02448	4.4
117.03459	1.5
119.03536	2.0
119.05033	10.9
121.02959	4.7
123.04548	4.8
129.03477	3.5
131.05008	1.3
133.02948	2.7
134.03737	1.8
135.04536	16.8
137.02415	3.2
143.03551	0.9
145.02969	13.7
146.03725	3.5
147.04527	27.5
149.02286	0.8
149.06082	1.4
150.03125	0.9
151.03958	1.3
152.01141	1.9
152.03549	3.0
153.05490	0.9
157.02919	6.3
158.03720	2.4
159.04514	20.6
161.02443	16.3
161.04552	3.1
161.05937	2.0
163.04008	12.7
163.11247	3.5
167.03467	3.1
171.10170	1.0
173.02434	3.5
173.04550	1.3
173.09813	0.9
174.03229	1.4
175.03996	5.1
177.05563	1.1
179.03534	8.7
181.05095	12.2
181.12344	10.8
185.02419	8.3
186.03130	1.8
187.04076	4.5
193.05045	2.6
193.06613	1.6
195.06590	1.8
195.08148	1.1
196.05287	1.1
197.04556	5.7
197.06073	1.3
201.01927	0.9
203.03506	3.9
205.05048	1.6
207.02931	1.0
207.10265	20.5
207.13690	0.9
209.11845	2.5
211.07643	1.4
213.01962	1.3
221.06035	2.4
222.06848	1.1
223.07648	1.3
225.05423	2.5
225.11310	50.7
225.14809	2.1
226.11685	1.1
227.12833	10.7
229.01422	33.0
230.01903	1.6
231.03024	2.1
237.05583	2.6
238.06314	1.6
239.07169	5.1
240.04245	0.9
243.06718	1.8
243.12300	5.7
248.04710	2.6
249.05731	6.5
250.06287	3.9
251.07135	2.3
251.11385	2.6
252.07922	1.0
253.05128	4.0
253.09180	3.0
254.05492	1.0
255.06680	3.2
265.05011	2.2
266.05740	1.8
267.06592	21.3
268.06976	1.4
269.08188	16.1
269.13898	1.6
270.08603	1.0
276.04382	1.5
277.05045	15.3
278.05841	2.1
280.03610	1.4
281.04483	4.6
285.07373	1.0
293.04559	7.4
293.12305	1.2
294.05264	2.2
295.06097	32.6
296.06503	1.3
297.04349	0.9
297.07666	2.5
313.07220	7.6
313.10751	1.3
323.05524	2.8
327.10760	1.4
339.05078	100.0
340.05438	4.5
341.06796	4.2
357.06183	3.7
359.07690	48.8
359.20547	1.7
360.07971	2.7
461.20239	32.5
462.20441	1.4
477.11676	1.1
503.25302	2.5
521.10461	2.0
521.25940	39.6
521.33691	2.0
522.26141	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	521.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.5
59.01377	19.2
60.35180	0.6
61.98822	3.0
62.79417	0.6
64.02766	0.6
69.03461	0.7
69.23874	6.1
71.01378	7.9
72.99317	2.3
73.02952	2.2
81.03452	1.3
83.01378	1.8
83.05059	0.8
85.02937	2.9
87.00873	1.9
89.02438	3.9
91.44598	0.6
93.03458	1.2
95.01418	1.6
97.02950	5.9
99.00864	6.8
99.04519	1.8
101.02424	5.5
108.02173	17.3
109.02952	19.1
109.06585	3.0
110.03799	1.0
113.02443	3.5
116.92774	1.1
119.03483	1.6
119.05029	2.5
121.02939	1.5
121.06550	0.7
122.03798	0.8
123.00868	0.7
123.04539	2.3
125.02453	1.3
125.09708	1.8
133.03020	0.7
135.04523	13.9
135.08183	0.9
137.02457	1.4
142.02666	1.9
145.02985	1.0
147.04578	1.1
149.02457	2.0
150.03207	0.8
152.01146	19.0
153.01947	6.2
153.05576	1.3
159.04546	1.7
161.02425	2.1
161.04549	1.7
161.09718	0.8
163.04010	2.5
163.11264	5.7
164.04774	1.3
167.03546	0.8
173.02455	0.9
173.04539	1.8
175.00418	3.1
176.01102	2.5
178.35242	0.6
179.03506	6.7
179.05101	0.8
179.05589	0.6
181.05035	3.0
181.10831	1.2
181.12335	14.9
182.12628	1.0
185.02420	8.9
186.03160	2.0
190.02699	7.2
191.03456	4.7
197.04503	0.9
197.11833	0.7
199.13387	1.4
205.05037	5.9
207.10234	42.1
208.10567	1.1
215.12878	1.8
225.11304	100.0
226.11635	2.8
235.08218	1.3
239.07088	1.0
243.02829	1.1
243.12364	7.9
253.09224	8.7
267.06763	1.6
269.08151	1.0
273.02942	0.9
277.05099	1.1
279.02917	1.5
280.03760	0.9
295.06119	11.0
299.02066	1.3
299.15115	1.0
300.02292	0.8
301.02655	2.3
313.07159	1.1
314.04330	1.0
314.47021	0.6
315.07654	4.5
316.04990	1.6
317.05780	1.0
339.05026	9.2
340.05103	0.9
341.08987	1.8
353.08691	1.6
359.07642	2.5
359.20615	2.0
377.18173	2.1
419.19284	1.0
461.20248	62.5
462.20804	3.5
477.23520	1.4
489.10089	1.2
504.20737	1.8
521.12799	36.3
521.24139	1.1
521.30316	1.0
522.13092	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	521.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	3.7
59.01382	2.3
61.98819	1.2
71.01376	0.6
71.41466	0.6
73.02930	0.6
78.95898	10.7
78.96335	0.8
83.05012	0.5
96.96944	0.6
97.06589	0.6
109.06573	0.9
113.09720	17.9
135.11728	0.6
139.11264	1.5
141.09184	0.6
145.02950	1.0
150.03223	0.7
151.11282	0.5
151.56305	0.5
152.99574	14.6
158.31886	0.4
161.02469	2.4
162.06885	0.6
167.10738	2.7
171.00586	2.2
171.10307	0.7
177.12834	1.0
179.10721	2.2
183.13853	1.5
195.13905	3.2
208.86330	0.4
221.19032	0.6
223.13448	0.7
227.03249	1.5
245.04294	2.1
245.76366	0.4
249.22168	2.3
271.06030	0.5
275.20020	2.2
293.21213	100.0
294.21552	5.3
333.13687	0.4
362.51520	0.4
411.83337	0.5
440.86536	0.4
521.25159	48.9
522.25397	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04177	0.8
57.03447	1.4
59.01379	15.8
61.98834	1.6
71.01386	6.6
71.52147	0.9
71.52551	1.3
72.99317	2.2
73.02944	4.1
78.95888	4.5
83.01398	1.4
87.04530	2.5
96.96001	1.1
96.97533	1.0
99.04524	2.7
101.02435	3.1
119.04930	1.0
123.04559	1.6
125.02468	1.3
128.03549	1.1
133.02934	3.9
135.04504	2.8
137.02428	1.2
140.60400	1.0
146.06342	1.1
152.99585	1.6
161.02463	9.4
171.28920	0.9
179.03519	1.9
196.03714	1.4
203.05510	1.4
249.18602	4.0
273.11642	1.0
275.16550	2.5
293.17523	6.7
317.21191	100.0
318.21539	4.3
325.20190	7.6
331.22815	3.4
359.22330	3.1
371.22211	3.2
521.33301	4.3
522.24756	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	521.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44476	0.3
55.01876	0.9
55.06500	0.4
57.03444	2.0
58.00589	0.6
59.01378	50.8
60.01695	0.6
61.98826	2.9
69.03443	0.5
71.01379	13.0
71.52119	0.7
72.99287	2.1
73.02949	4.3
78.95879	0.6
83.01392	3.0
83.05072	0.3
85.02940	5.5
86.03287	0.4
87.00877	1.6
89.02441	5.1
93.03479	0.7
95.01377	1.1
96.95968	0.4
99.00878	0.8
99.04530	0.8
101.02435	8.8
109.02937	0.6
111.00883	0.7
113.02463	5.3
115.92060	0.5
116.92849	1.0
119.03494	1.7
122.55081	0.4
123.04531	0.8
125.02453	0.7
133.02966	1.6
134.03770	0.4
135.04532	2.5
139.03903	0.4
143.03551	0.7
149.02353	0.7
151.03976	0.5
161.02463	4.3
161.04561	1.7
163.03958	0.6
169.58736	0.4
173.04539	1.5
177.01816	0.4
179.03532	1.4
181.05040	0.9
193.04991	0.6
215.16554	0.6
257.19189	0.6
271.20715	0.5
295.22748	0.5
299.20255	0.4
300.10068	0.5
313.23785	2.0
317.17609	1.7
317.21222	4.4
329.21265	1.8
331.19070	0.5
341.27023	4.4
359.07681	1.2
359.18494	2.6
359.23056	0.7
359.27960	16.1
360.28278	0.8
377.21887	2.4
401.26889	0.5
413.23245	0.6
419.22800	1.4
443.24582	1.1
461.25418	8.8
461.31702	0.6
462.25583	0.7
463.26938	1.0
477.26834	0.7
479.26382	8.3
503.32275	1.9
521.33313	100.0
522.33734	7.7
536.01965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	1.0
71.05002	1.8
71.52537	0.9
78.95899	5.7
79.58867	0.8
83.05057	1.0
96.95998	0.7
97.02953	6.7
99.00888	18.0
109.06527	1.1
110.03751	2.0
115.86550	0.8
125.09727	4.7
142.02701	1.6
152.99561	3.7
163.11290	8.9
179.89206	1.2
181.12334	22.6
182.12688	1.0
193.90747	1.9
194.12373	0.8
195.13876	3.1
196.89439	3.7
197.11809	1.3
199.13397	9.4
207.10248	46.7
208.10590	1.4
225.11313	82.0
226.11606	2.8
243.12360	80.8
244.12622	2.2
260.25012	0.9
277.21771	7.5
293.24945	3.0
295.22754	27.4
296.23203	1.4
438.82599	0.8
479.03827	1.0
521.17401	4.3
521.34802	100.0
522.35278	8.1
549.46454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03492	0.4
59.01380	34.9
61.98829	100.0
64.87043	0.4
69.90118	1.5
71.01392	2.1
72.99314	0.9
73.02954	0.5
85.02991	1.1
89.02442	0.5
98.19865	0.4
99.00897	0.4
101.02448	1.7
109.02956	1.5
109.06574	0.4
112.71773	0.4
113.02463	0.8
119.05045	0.5
123.04509	0.6
125.20588	0.4
135.04533	1.3
152.01193	0.4
161.02452	0.9
161.04581	0.6
179.03467	0.6
185.02504	0.5
203.03569	0.5
207.10312	0.5
208.10545	0.6
209.11812	2.5
253.09236	0.7
254.09161	0.5
254.11963	0.5
273.02960	0.4
295.06143	0.7
296.06454	0.5
301.02783	0.4
302.02982	0.8
316.05353	0.4
317.05603	0.9
318.05966	1.1
359.07858	0.6
360.08139	1.2
373.22205	2.3
415.23416	2.5
522.12384	1.7
522.26495	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.5
59.01382	9.2
61.98820	0.7
63.96231	0.9
69.03452	0.7
71.01377	6.3
72.99316	0.7
73.02943	1.9
78.95879	0.5
78.98595	4.9
79.95735	7.7
80.96518	52.8
81.03449	0.7
83.01421	0.3
85.02956	2.3
87.00874	2.2
93.03470	0.5
93.07528	0.3
94.98090	11.2
95.01403	0.4
96.96009	0.9
97.02958	1.1
99.00862	0.5
99.04534	0.3
101.02435	3.2
106.98090	2.8
113.02479	0.5
114.43135	0.3
119.05023	0.3
121.05810	0.3
122.97575	5.0
123.04575	0.6
125.02425	2.9
127.04028	0.7
133.02968	0.3
134.97589	3.4
135.04518	2.8
136.99123	1.3
143.03488	0.3
148.99129	5.4
152.98628	5.6
161.02435	1.1
164.98627	9.5
167.00244	0.4
173.80421	0.3
179.03520	3.5
182.99712	2.1
195.13844	0.8
197.04604	0.4
205.12491	0.3
206.99675	3.1
223.13423	2.7
225.00729	17.1
226.01039	0.3
243.01796	1.6
249.81897	0.3
299.04391	2.7
317.05542	0.6
472.92188	0.3
523.18524	100.0
524.18884	5.6
524.25970	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91291	0.5
51.40527	0.4
52.58937	0.4
55.41457	0.4
57.03436	1.0
59.01378	11.1
61.72736	0.4
61.98827	1.8
63.96244	0.7
69.03450	0.6
69.84768	2.1
71.01380	8.8
72.99312	2.3
73.02944	2.1
78.98582	5.7
79.95734	8.4
80.96513	56.3
81.03450	0.8
83.01388	1.1
85.02950	3.8
87.00867	2.7
88.98824	0.4
89.02450	0.5
93.03452	2.0
94.98087	12.5
95.01384	0.6
96.96000	1.4
97.02951	1.6
99.00879	0.8
101.02437	3.9
106.98067	2.7
109.02941	1.5
113.02465	1.4
119.05010	0.7
121.02966	0.5
122.97576	2.4
123.04504	2.5
124.04855	0.6
125.02470	2.8
127.03983	0.5
133.02946	1.3
134.03706	0.5
134.97585	4.6
135.04518	6.7
136.99149	1.2
137.02431	1.2
148.99141	5.6
149.02397	1.0
150.86719	0.4
152.01187	0.7
152.98639	5.4
153.05571	1.9
161.02437	7.7
161.09654	0.4
162.02780	0.6
163.03984	0.5
164.98625	11.3
173.04555	1.4
177.01895	0.5
179.03499	3.0
181.05072	0.4
190.24646	0.4
195.13899	0.6
197.04514	1.9
206.99684	1.7
223.13425	1.6
225.00734	15.1
267.06540	0.6
281.97339	0.5
285.80807	0.4
289.18069	4.3
295.06116	0.7
299.04419	3.1
311.05496	1.2
313.07474	0.4
319.18988	3.3
359.07700	0.9
377.20166	0.4
389.29071	0.4
463.23239	9.2
464.23761	0.5
467.26633	0.6
481.24142	2.4
505.17719	0.5
523.18494	100.0
524.18835	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	523.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.1
59.47365	0.9
61.98816	2.9
68.99563	1.8
71.52644	1.6
77.94118	1.0
78.95903	13.6
96.96062	1.0
102.71811	0.9
112.98547	2.7
113.09726	2.6
119.78507	0.9
120.13606	0.9
121.02914	1.3
133.02946	9.9
135.04506	5.2
149.02417	2.8
150.03166	5.2
152.99582	22.9
161.01135	1.9
161.02449	35.4
162.02789	1.4
171.00635	2.5
172.61703	1.1
177.12772	1.2
179.03441	2.5
179.14323	1.5
183.13892	4.5
187.07567	1.9
195.13881	23.6
212.42952	1.2
227.03252	3.5
245.04289	3.4
257.08292	2.3
277.21707	16.2
295.22763	100.0
296.23068	3.7
361.16663	2.3
443.24420	2.3
523.26733	66.3
524.27014	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	523.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.2
59.01382	1.6
61.98833	1.1
70.70557	1.1
71.01402	0.5
78.29983	0.6
78.95902	24.3
87.12254	0.5
89.63229	0.6
96.00117	0.5
96.96980	1.8
113.09717	2.7
133.02916	3.4
149.02444	0.8
150.03308	0.8
150.97992	0.5
152.99577	37.2
160.01558	0.5
161.02438	10.9
171.00653	2.2
171.10286	2.3
176.15247	0.7
179.14502	1.2
181.12314	0.8
187.07611	0.6
195.13902	18.2
203.07021	0.5
209.11795	1.2
223.03036	0.5
227.03268	3.0
245.04300	1.0
251.23946	0.5
257.08212	1.1
273.92950	0.5
277.21735	18.9
278.21967	0.9
293.21280	0.6
295.22778	75.0
296.23111	2.9
309.20795	0.7
354.01935	0.6
402.80042	0.5
431.22104	1.4
505.21857	0.7
523.26733	100.0
524.27032	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	523.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.1
59.01367	1.4
65.63319	0.3
67.63534	0.4
71.51536	0.5
78.95900	11.0
80.35407	0.4
82.98839	0.4
96.96954	0.7
97.06613	0.4
98.43808	0.4
113.09715	2.8
121.87022	0.4
133.02951	1.5
149.02567	0.4
152.99580	13.7
157.77856	0.4
161.02452	5.4
171.00615	1.8
177.12872	0.6
179.10793	0.5
179.14401	1.7
181.12286	1.0
195.13901	20.3
196.14226	0.7
197.11874	0.8
207.10214	0.5
213.31693	0.4
215.90012	0.4
227.03308	0.9
230.39865	0.4
245.04294	3.0
257.08179	0.4
277.21704	18.6
278.22018	0.6
295.22763	100.0
296.23047	4.0
309.20670	0.5
505.22284	1.7
523.26727	68.1
524.27057	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	523.2909
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
51.55281	0.3
55.01889	1.5
57.03444	1.0
58.00594	0.7
59.01380	100.0
59.20183	0.3
60.01723	0.4
60.08864	0.3
61.98835	0.8
69.03465	0.6
71.01384	15.8
71.52449	0.3
72.99303	1.4
73.02950	5.6
77.72266	0.3
78.95904	0.6
79.08200	0.3
83.01383	4.0
85.02951	10.0
85.03472	0.5
86.00076	0.5
87.00902	1.3
88.63502	0.3
89.02448	3.8
95.01394	2.1
97.02925	0.6
99.00882	2.8
101.02442	13.8
109.29041	0.3
111.00878	0.9
112.01646	1.0
113.02450	7.2
119.03523	0.9
125.02460	0.7
129.01949	0.4
133.02974	1.3
135.04543	0.4
143.03510	1.7
152.99579	1.0
159.02988	0.9
161.02493	3.3
161.04530	4.3
169.12366	0.8
179.03610	0.3
179.37511	0.4
179.78543	0.3
191.46596	0.3
197.11908	0.4
203.05533	0.4
225.11237	0.6
259.20523	0.3
287.19989	0.4
317.21222	0.9
319.22757	59.5
320.23032	3.0
331.22668	0.5
334.56094	0.3
361.23813	1.2
373.24039	0.3
389.23508	0.5
403.24521	1.6
415.24713	0.7
433.25885	1.2
463.26981	53.6
464.27185	4.3
481.20755	0.6
481.28030	46.7
482.28448	3.7
523.29120	61.8
524.29486	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	523.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03442	1.1
58.00596	0.5
59.01380	100.0
60.01710	0.6
61.98835	2.2
69.03441	0.2
69.60295	0.8
71.01382	16.1
71.18784	0.1
72.99310	0.9
73.02947	5.4
75.00873	0.2
78.95899	0.2
80.96527	0.4
81.03471	0.3
83.01390	2.9
84.02148	0.1
85.02953	6.6
87.00869	1.1
89.02445	5.7
89.03017	0.2
93.75665	0.1
95.01383	1.6
97.02946	0.7
99.00872	2.1
99.04527	0.4
101.02443	12.8
103.00360	0.2
111.00875	1.2
111.04488	0.1
111.84155	0.1
113.02451	7.0
114.02735	0.1
119.03510	2.0
119.04929	0.2
125.02452	1.7
126.02843	0.1
129.01936	0.2
130.96387	0.1
131.03502	0.4
133.02925	0.2
135.04550	0.5
143.03499	1.4
159.02983	0.8
161.02470	0.3
161.04558	5.5
161.05902	0.3
162.02960	0.2
171.10263	0.1
179.03552	0.4
179.05606	0.9
197.11760	0.2
203.05515	0.2
259.20612	0.3
291.19592	0.2
301.21661	0.4
309.20636	0.3
315.19489	0.1
316.20322	0.2
317.21118	1.4
319.19116	0.3
319.22684	2.9
331.22775	2.9
333.20731	0.2
361.20007	0.4
361.23886	2.8
363.21707	0.9
392.00217	0.2
415.24780	0.8
424.33252	0.1
433.25793	0.2
445.25906	0.4
461.25195	0.2
463.26956	16.9
464.27252	1.4
481.28033	23.7
482.28375	1.9
489.24939	0.3
505.22034	0.6
507.26208	0.3
523.18805	0.8
523.29138	3.1
524.29059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70371	0.4
55.01872	1.4
57.03448	0.9
59.01378	100.0
60.01717	0.7
60.62269	0.3
61.98835	1.3
66.20727	0.4
69.67605	2.6
71.01380	14.1
72.99300	1.0
73.02939	5.0
78.95918	1.1
80.21988	0.4
83.01378	2.3
85.02950	7.8
85.03458	0.4
86.00117	0.6
87.00891	0.6
88.98817	0.4
89.02454	3.5
89.13422	0.4
95.01379	1.7
97.02965	0.6
98.42044	0.4
99.00890	1.5
101.02439	11.5
109.02934	0.4
111.00854	0.6
112.50954	0.4
113.02447	6.3
119.03526	1.2
125.02461	0.5
133.02946	1.2
135.04555	0.9
143.03522	0.9
152.99593	1.7
159.03014	0.8
161.02449	3.7
161.04535	3.4
173.04587	0.7
179.05489	0.5
209.11777	0.4
309.20667	0.5
317.13858	0.5
317.21204	0.4
318.21481	0.5
319.22739	30.5
320.23157	1.4
361.16599	0.9
361.23523	0.7
389.23938	0.4
403.24744	0.9
408.17346	0.4
411.13129	0.4
433.25937	0.9
463.26965	29.4
464.27286	2.1
473.28357	0.5
481.28046	31.8
482.28452	2.7
523.29089	31.2
524.29468	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	525.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
61.98828	31.2
63.96222	0.9
69.03455	0.5
69.27114	0.6
69.27523	2.1
71.01378	4.9
72.99284	0.3
73.02951	1.3
78.98584	4.6
79.95733	6.0
80.96513	47.0
81.03442	0.7
85.02956	2.2
87.00871	2.3
94.68635	0.4
94.98085	11.2
96.96040	1.0
97.02940	1.4
99.00835	0.5
99.04484	0.4
101.02422	2.1
106.98074	2.4
109.02955	0.3
113.02421	0.4
122.97574	4.3
123.04524	0.3
125.02436	2.5
127.04014	0.8
134.97585	3.6
135.04564	0.7
136.99149	1.2
146.97624	0.4
148.99144	5.1
152.45763	0.3
152.98618	6.7
163.11281	0.4
164.98625	8.8
167.00183	0.5
181.12288	0.5
182.99667	2.3
188.98589	0.5
206.99696	2.8
207.10228	1.7
209.11827	1.3
210.12125	0.7
211.12375	0.4
225.00723	18.7
225.11325	2.3
226.01060	0.4
243.01678	2.2
299.04327	3.1
307.53891	0.4
393.10776	0.4
436.92340	0.5
525.16437	100.0
526.16711	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	525.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12825	0.3
55.01880	0.4
57.03453	1.8
59.01381	13.6
61.75367	0.3
61.98829	1.2
65.03967	0.4
69.03484	0.5
69.20361	1.7
69.20786	1.6
71.01385	4.2
72.99291	1.2
73.02943	6.9
75.12442	0.4
83.01390	7.5
83.13898	0.3
85.02952	1.3
87.00867	0.8
87.04533	1.2
90.63279	0.3
93.03458	91.0
94.03804	1.2
95.05050	0.7
96.95993	1.4
99.00890	0.9
99.04539	0.5
101.02446	4.1
107.05010	0.3
109.06609	0.6
110.90376	0.3
113.02463	1.5
119.05045	0.5
119.73000	0.4
123.00864	1.5
123.04538	1.0
124.01663	11.4
125.02434	1.8
125.06104	0.6
134.03714	0.4
134.11575	0.4
135.04517	1.8
135.08144	1.2
137.02444	100.0
137.09711	3.0
138.02785	1.6
139.03999	7.2
139.07600	0.5
139.11276	7.5
143.03407	0.4
151.03966	0.4
151.11282	1.0
161.02460	1.1
161.04570	1.0
161.09724	1.0
161.44458	0.4
163.07672	2.7
163.11263	0.5
165.09198	1.0
169.12317	3.3
173.04567	0.6
176.13506	0.3
179.03503	1.2
179.10783	2.9
181.08733	2.1
181.12357	2.5
183.10262	13.2
195.13837	0.4
197.04449	1.7
197.11829	3.2
199.13376	1.2
223.09703	1.5
225.11310	12.1
226.11781	0.4
231.10181	0.4
239.12773	0.4
243.12347	11.3
249.11278	1.7
267.12393	3.0
281.07568	0.4
283.07211	2.4
285.13333	1.5
291.12277	2.7
309.13455	1.2
326.09055	0.5
327.14536	3.7
387.16586	14.9
388.17163	0.5
447.16650	0.5
450.16870	2.6
507.18890	1.2
525.19763	47.9
526.19092	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	525.2701
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
55.01870	0.8
57.03434	1.4
59.01369	3.2
59.25084	0.4
61.70159	0.4
61.98804	0.7
67.01900	0.7
69.03453	7.4
69.17648	4.5
71.01382	2.5
71.05016	3.1
74.47393	0.4
78.95901	1.8
80.02672	2.0
81.03476	2.6
83.01372	1.9
83.05020	7.5
84.02155	1.7
84.16833	0.5
95.05035	1.6
97.02938	0.7
97.06580	1.5
97.83337	0.4
98.20737	0.8
99.00879	1.0
109.06603	0.7
111.04485	0.5
111.08118	0.6
122.00510	0.4
123.08186	2.5
125.06085	1.3
125.09707	5.8
129.09265	0.4
135.08179	1.3
137.09734	0.7
138.97984	0.7
139.11269	0.6
145.22769	0.4
149.09698	1.5
151.11293	5.4
152.99622	0.6
153.12831	1.8
161.02332	0.5
161.08492	0.7
161.09705	8.9
163.11288	4.8
165.12804	2.9
167.15613	0.5
171.10187	1.1
179.10770	27.2
180.11121	0.7
181.12321	1.9
185.11806	1.8
191.10748	1.3
197.11815	87.1
198.12123	2.5
199.13399	0.6
207.10222	0.9
209.11812	69.5
210.12144	1.7
211.13351	1.9
215.12199	0.5
221.11688	0.7
223.09743	3.4
225.11220	1.5
227.12906	7.8
241.10793	13.4
243.12271	0.5
253.09311	0.7
263.29974	0.5
289.18069	1.3
293.21155	1.2
297.13385	7.2
311.22299	5.8
315.10797	0.8
315.14459	17.4
316.14871	0.6
389.23328	1.1
463.26886	1.4
465.27945	0.7
507.23572	10.5
508.24451	0.9
525.27014	100.0
526.27313	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	525.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.2
57.03433	1.6
59.01154	0.7
59.01382	8.7
61.98824	2.3
69.03458	7.2
69.16786	4.0
69.17213	3.7
71.01382	3.8
71.05013	3.5
73.02946	1.1
74.85499	0.8
78.95896	1.5
80.02683	1.3
81.03458	2.5
83.01375	1.1
83.05038	7.4
84.02164	1.1
89.02461	1.6
93.03427	1.0
95.01452	0.8
95.05045	1.7
96.95979	1.9
97.02949	1.2
97.06611	2.2
99.00869	1.6
101.02407	2.3
109.02932	1.0
109.06573	1.2
123.08149	3.0
125.09746	5.6
135.04532	1.0
135.08171	1.1
137.02379	0.9
137.09706	1.5
149.09698	1.9
151.11290	6.5
153.12872	2.5
161.02411	2.0
161.09726	8.2
163.11293	7.9
165.12802	3.4
169.12386	0.9
171.10281	1.3
173.04530	1.1
179.10779	29.4
181.12367	3.0
185.11832	1.8
191.10803	1.5
191.14465	2.0
197.11827	79.9
198.12216	3.0
199.13400	1.2
207.10243	3.5
209.11818	68.2
210.12134	2.4
211.13359	1.1
223.09776	5.1
225.11293	5.8
227.12877	8.9
241.10803	15.2
243.12436	1.7
245.19135	3.3
253.09238	4.7
289.18109	22.2
290.18475	1.2
293.21130	1.0
297.13458	10.2
311.22266	2.4
315.14493	16.5
317.16077	1.1
367.77020	0.8
371.22293	0.8
385.97015	0.8
389.23236	1.6
463.27072	1.5
507.23828	9.3
508.24396	0.8
525.27051	100.0
526.27271	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	525.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74072	0.3
55.01884	0.3
57.03423	0.4
58.00612	0.3
59.01376	100.0
60.01729	0.4
61.98824	1.0
69.22356	2.4
71.01376	2.8
72.99299	0.4
73.02952	1.1
78.95895	1.6
83.01400	0.4
85.02955	1.3
88.98786	0.3
93.03492	0.3
93.62231	0.3
95.01382	0.3
97.74197	0.3
99.00880	0.3
101.02431	2.0
108.02184	0.5
113.02464	1.1
119.04993	0.7
120.99701	0.5
121.02986	0.5
121.37945	0.2
123.04488	0.6
123.94849	0.2
125.06168	0.2
135.04546	0.7
138.01978	1.0
139.02321	0.5
152.99588	1.9
161.02469	1.0
161.04570	1.1
163.03972	0.4
164.20601	0.2
171.10318	0.3
173.04640	0.4
179.03548	0.5
181.05093	0.3
187.07840	0.3
209.11816	2.5
241.01198	0.4
287.19977	0.3
311.05640	0.4
328.69534	0.3
365.23434	0.3
375.57584	0.3
462.02338	0.3
483.29752	2.2
513.62201	0.3
525.17651	2.7
525.25580	0.6
526.18182	0.3
527.28986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3065
Annotation	Hythiemoside A
Peak:m/z	Relative Intensity
57.03426	0.2
59.01376	100.0
60.01715	0.5
61.98833	1.4
69.20949	0.4
69.21368	1.4
71.01378	2.6
72.99329	0.3
73.02957	0.8
78.95910	0.3
80.96528	0.3
83.01389	0.7
85.02945	1.4
89.02451	0.4
89.47809	0.2
91.41460	0.2
93.03458	3.1
97.02934	0.2
98.20659	0.4
99.00884	0.4
101.02434	1.7
113.02453	1.1
118.82565	0.2
119.05006	0.2
120.99681	0.4
133.03006	0.2
135.04530	0.4
137.02435	6.4
151.31070	0.2
152.99605	0.3
156.91052	0.2
161.02458	0.4
161.04515	1.1
168.56779	0.2
173.04643	0.3
199.93817	0.2
244.40376	0.2
279.79211	0.2
387.45175	0.2
403.73883	0.2
483.29477	2.0
525.18530	0.9
525.31067	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.307
Annotation	Simplexin H
Peak:m/z	Relative Intensity
55.01875	0.7
57.03445	0.7
58.00598	0.3
59.01377	100.0
60.01693	0.8
61.98837	0.4
68.99793	0.2
69.15796	1.3
69.16195	0.4
71.01379	10.7
72.99311	0.4
73.02946	3.2
75.00854	0.2
78.95901	0.4
81.03461	0.2
83.01398	2.1
85.02948	4.8
87.00872	0.6
89.02446	3.1
95.01357	1.0
97.02990	0.3
98.19982	0.6
98.20671	0.4
99.00898	1.1
101.02440	8.3
111.00902	0.4
113.02441	4.8
119.03516	0.9
120.99657	0.3
123.04532	0.3
125.02475	0.6
143.03520	0.9
152.99583	0.3
153.05528	0.2
159.03006	0.7
161.02498	0.2
161.04541	3.6
166.00838	0.2
173.04478	0.3
179.05630	0.4
187.05402	0.1
198.91994	0.1
203.05605	0.2
209.11739	1.0
309.04297	0.2
319.22601	0.4
321.20743	2.0
321.24435	1.3
333.24319	0.8
363.25403	0.5
365.23557	0.3
428.50983	0.2
465.28476	7.8
466.29013	0.5
483.29581	16.7
484.30225	1.3
525.17456	0.7
525.30548	2.9
526.30634	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
57.03442	0.7
58.00602	0.4
58.86122	0.2
59.01379	100.0
60.01721	0.4
61.98841	0.8
69.03459	0.2
71.01384	13.2
72.33762	0.2
72.99318	0.7
73.02946	4.3
73.61301	0.2
75.00895	0.2
79.44985	0.2
83.01385	2.0
83.01754	0.2
84.82063	0.2
84.94953	0.2
85.02950	5.6
87.00874	0.9
88.98817	0.4
89.02438	4.3
95.01390	1.2
96.96072	0.3
97.02969	0.4
98.20764	0.5
99.00898	1.4
101.02438	9.5
111.00914	0.2
113.02448	5.8
119.03487	1.6
125.02475	0.8
131.03551	0.3
133.02971	0.4
135.04492	0.2
138.65390	0.2
143.03516	0.9
153.96571	0.2
159.03018	0.8
161.02473	0.7
161.04536	3.6
166.77179	0.2
171.10336	0.5
177.01985	0.7
179.03499	0.4
179.05624	0.4
197.11859	0.5
198.50815	0.2
209.11829	0.4
227.12901	0.3
231.66980	0.2
267.06580	0.2
289.18060	0.6
311.05618	0.3
319.22864	0.6
321.24280	1.2
333.24387	1.1
363.25354	1.1
365.23447	0.6
465.28540	10.8
466.28772	0.5
483.29623	21.7
484.29868	1.4
525.31000	3.2
526.31000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76337	0.9
53.99442	0.8
58.68140	0.8
59.01382	13.6
61.98827	9.5
70.21056	3.4
71.01379	3.5
72.99306	6.1
78.95900	14.9
78.98634	1.0
79.95732	3.0
80.02668	0.9
80.96516	15.7
81.03461	2.0
83.05040	4.8
84.02164	0.9
87.00890	1.2
88.98837	1.2
94.98101	2.9
96.96021	1.3
101.02429	1.5
107.01397	1.9
108.02164	1.1
109.02953	2.0
122.98505	1.6
125.02462	1.2
127.11541	0.9
134.97575	1.1
135.04512	1.5
148.99115	1.4
149.67354	0.9
151.00366	8.4
152.98508	1.0
152.99585	2.7
161.02388	1.5
163.00368	1.1
163.11276	3.6
164.98662	2.9
165.12827	1.8
168.04283	4.1
173.04518	1.7
178.99841	2.9
181.12349	1.2
191.10913	2.0
209.11821	61.8
210.12190	2.1
223.13312	1.1
224.06938	6.0
225.00763	4.2
227.03473	1.3
227.12860	6.5
241.14476	5.3
242.08090	1.3
243.02946	6.9
245.04559	1.3
252.93694	0.9
255.02994	15.8
271.02472	34.1
272.02948	2.6
300.02737	76.6
301.03500	34.1
302.03952	1.9
343.04684	0.9
381.12997	1.7
452.20547	69.4
453.20654	1.2
463.08798	100.0
464.08578	4.9
466.22256	6.1
467.16653	1.2
526.16852	3.4
527.17993	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.2
59.01380	0.8
61.98830	100.0
69.31731	0.3
69.32143	1.2
71.01390	0.6
72.99330	0.3
73.02985	0.2
78.98597	0.3
79.95741	0.5
80.96521	3.1
85.02993	0.3
94.98100	0.6
96.96004	0.2
98.20683	0.3
99.60198	0.2
101.02415	0.4
106.98087	0.2
123.04516	0.2
125.02430	0.3
133.02936	0.2
134.06139	0.4
134.97580	0.2
135.04512	0.4
139.11256	0.2
148.04036	0.3
148.99124	0.3
152.98543	0.2
157.04860	0.2
160.04015	0.4
161.02434	0.3
162.05611	0.5
163.05952	0.2
164.98668	0.6
173.04582	0.2
179.03532	0.2
188.03577	0.2
189.03824	0.2
201.11282	0.2
202.11763	0.3
203.10817	0.2
209.11804	0.3
213.04167	0.2
225.00714	0.9
226.01109	0.3
239.71446	0.2
250.01686	0.2
252.42651	0.2
275.11240	0.2
299.04581	0.2
331.78186	0.2
340.09912	0.2
342.43164	0.2
363.09024	0.2
368.09628	0.5
393.11118	0.3
394.11301	1.6
426.44705	0.2
464.15591	0.3
480.05573	0.2
482.16910	0.3
508.14386	0.5
526.16522	8.2
527.16901	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18406	0.2
54.76595	0.2
59.01366	0.2
61.98828	100.0
67.84372	0.2
69.32266	0.5
69.32696	1.0
71.01389	0.8
73.02939	0.3
78.98591	0.4
79.95737	1.1
80.96516	5.2
81.88315	0.2
81.96494	0.2
82.96107	0.3
83.01357	0.2
85.02947	0.2
87.00911	0.3
94.98094	1.1
101.02412	0.4
110.85428	0.2
122.97597	0.4
125.02412	0.5
134.97607	0.4
135.80353	0.2
135.94539	0.2
148.99152	0.6
152.04427	0.2
152.98653	0.5
164.98640	0.8
206.99722	0.3
209.11932	0.4
210.12241	0.2
225.00801	1.5
226.01125	0.5
243.01727	0.2
452.20514	0.3
526.16754	11.2
527.17456	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	527.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92102	0.3
59.01374	0.7
61.98854	0.3
63.96250	0.8
66.70115	0.3
69.03448	0.4
69.53046	2.0
71.01379	5.3
73.02945	1.4
75.28259	0.3
78.98592	4.2
79.95729	7.1
80.96516	43.3
81.03455	0.6
85.02954	2.2
87.00875	2.2
94.98083	10.6
96.96007	0.6
97.02969	1.4
101.02453	2.5
106.98094	2.3
110.78146	0.3
113.02451	0.4
122.97580	4.4
125.02454	2.7
125.35161	0.3
127.04000	1.1
134.97571	3.3
136.99167	0.9
138.64801	0.3
146.97600	0.5
148.99133	4.6
152.98634	5.1
164.98630	9.3
167.00169	0.5
179.00150	0.6
182.99649	1.7
188.98627	0.5
206.99626	2.3
209.11848	3.3
210.12097	0.6
225.00719	17.8
226.01021	0.4
243.01730	1.9
257.24149	0.3
272.63681	0.3
299.04422	2.0
312.16656	0.4
334.60739	0.3
372.98001	0.3
456.33328	0.3
527.18005	100.0
528.05750	0.4
528.18378	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	527.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50720	0.3
59.01373	0.8
63.96238	0.4
69.03466	0.5
70.81274	0.3
71.01382	5.2
71.51476	0.3
71.51802	0.5
72.99297	0.5
73.02940	1.5
74.45641	0.3
75.00868	13.6
78.98591	4.9
79.95733	6.6
80.96515	47.4
81.03441	0.5
85.02946	2.0
87.00845	2.0
94.98084	11.2
94.98689	0.7
96.95982	0.8
97.02959	1.1
101.02444	2.1
104.46684	0.3
106.98116	2.6
106.98761	0.5
113.02398	0.3
122.97574	2.6
125.02463	2.0
127.04021	0.9
134.97574	4.3
136.99138	1.3
143.03386	0.4
148.99135	4.7
152.98610	4.3
164.98622	10.0
198.35913	0.3
206.99739	2.1
209.11809	3.0
210.12064	0.4
225.00728	15.7
279.57043	0.3
299.04431	3.1
449.26184	0.4
451.32632	0.5
527.18005	100.0
528.18323	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	527.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30089	0.4
57.03440	0.6
59.01371	2.0
59.36601	0.4
59.48896	0.4
61.98820	0.6
63.96249	1.0
68.85419	0.4
69.21517	0.8
69.21926	3.3
71.01386	5.1
71.87452	0.4
72.99310	0.7
73.02943	1.6
75.00871	11.5
75.30441	0.5
75.77605	0.4
78.98598	5.1
79.95730	6.9
80.96514	49.5
81.03455	0.8
85.02956	2.6
87.00857	2.3
94.98087	12.9
96.96007	1.3
97.02939	1.0
98.19965	1.3
98.20673	0.8
101.02441	2.0
106.98091	2.4
122.97557	1.6
125.02425	2.6
127.04001	1.1
134.97578	3.7
136.99120	1.4
144.68434	0.5
148.99133	4.7
152.98633	5.2
156.76711	0.5
164.98627	10.4
173.97629	0.5
194.14920	0.5
206.99698	2.6
209.11819	3.4
210.12268	0.7
225.00735	17.7
246.62073	0.5
299.04376	2.7
301.03201	1.2
403.07532	0.5
428.13834	0.5
429.04584	0.6
452.20477	0.7
453.20908	1.0
464.09457	1.5
510.80908	0.5
526.23553	0.6
527.18011	100.0
528.18195	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	527.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
58.62210	0.5
59.01377	22.1
61.98828	2.7
69.03455	0.5
69.77911	1.5
69.78316	0.9
71.01379	5.2
72.99296	1.1
73.02940	5.0
78.95901	7.2
83.01390	5.2
85.02943	2.1
87.04510	1.7
89.68725	0.4
93.03485	0.7
95.01396	1.1
96.96008	0.8
96.96974	1.3
97.02951	1.1
99.00938	0.8
99.04538	1.0
101.02425	2.7
109.02915	0.7
109.06580	1.0
111.00891	0.6
113.02418	0.8
115.64913	0.5
121.02969	1.0
123.00886	11.5
123.04504	1.3
124.01657	65.4
125.02465	11.2
125.06116	0.6
135.04486	1.7
137.02454	0.7
138.03232	4.0
139.04007	41.4
139.07629	0.9
139.11281	13.6
149.02455	0.6
152.99567	10.0
161.02403	0.8
163.11357	0.7
165.09203	1.5
167.10828	0.6
169.12344	1.3
173.04527	1.3
173.05891	0.5
179.03491	0.6
179.10681	1.4
181.04996	1.0
181.12306	5.5
181.66812	0.5
183.10252	27.7
183.13864	1.7
184.10617	0.8
197.04684	0.7
197.11803	1.1
197.25580	0.6
199.13454	0.7
211.13390	10.6
223.00076	0.7
225.11313	8.8
231.10323	0.6
241.01210	2.3
243.12338	5.1
249.11440	0.8
263.12863	0.8
267.12296	1.1
285.13184	0.6
286.77872	0.6
291.12296	1.3
303.19733	0.7
315.04947	2.2
327.14508	2.2
345.20514	0.7
365.19965	0.9
387.16870	1.0
407.20764	0.7
453.18021	1.0
467.22943	1.4
509.20218	5.5
527.21228	100.0
528.21631	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2133
Annotation	Dutasteride
Peak:m/z	Relative Intensity
53.34306	0.6
55.01876	0.8
57.03446	5.5
58.00583	0.9
59.01380	19.9
61.98831	3.8
66.15463	0.6
66.21796	0.7
69.48383	0.7
70.46847	0.7
70.47204	2.5
71.01373	4.7
73.02943	10.7
77.80976	0.7
80.96520	2.1
83.01386	10.1
85.02952	1.6
87.04510	1.9
93.03458	21.1
94.03758	0.9
96.96011	3.3
97.02948	1.1
97.06565	0.9
99.04524	3.0
101.02436	5.7
107.05058	0.9
108.02193	1.7
109.02966	4.1
109.06592	1.4
111.08131	1.2
113.02444	1.6
117.39337	0.8
121.02956	100.0
121.96471	0.7
122.03262	1.1
123.04525	79.3
124.04860	1.1
125.02440	3.0
127.07671	0.9
135.04546	1.4
135.08195	0.8
137.02444	3.1
137.06046	0.9
137.09711	1.1
139.04012	73.7
139.11287	12.9
140.04367	1.3
151.11266	1.4
161.04556	0.7
161.09688	0.9
163.07591	1.2
163.11342	0.8
165.01891	1.0
165.09203	1.5
167.10704	1.2
169.12329	5.3
173.04529	1.3
179.10796	3.6
181.05077	2.1
181.12349	5.0
183.10271	18.9
197.11804	4.1
199.13434	2.3
203.10832	0.7
221.11859	4.0
225.11304	18.7
226.11566	0.9
231.10310	1.4
243.10190	0.7
243.12360	14.6
249.11354	2.8
263.12698	0.9
267.12332	1.8
284.43472	0.7
285.13498	1.6
291.12384	3.2
309.13470	1.2
322.21304	1.2
323.22220	1.7
327.14438	4.9
382.82953	0.8
387.16602	17.5
388.16977	0.8
464.22519	1.0
465.21130	1.3
497.20486	1.9
509.20285	51.3
510.20645	3.1
527.21307	39.4
528.21478	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	527.2525
Annotation	Chaetoglobosin C
Peak:m/z	Relative Intensity
53.78076	0.8
60.46401	0.8
69.03455	1.0
70.03622	2.8
71.01380	4.8
73.02922	1.4
78.98589	3.9
79.95737	5.9
80.96513	43.7
85.02930	1.5
87.00862	1.0
94.98084	11.3
97.02933	1.2
101.02448	1.8
106.98110	2.2
122.97581	2.9
125.02403	3.3
134.97562	2.4
148.99130	3.5
152.98537	3.9
160.16508	0.9
160.17720	0.8
164.98622	10.4
182.99684	1.0
206.99623	2.4
214.15872	1.0
215.12654	0.8
225.00697	15.8
227.20148	3.0
243.01714	1.1
277.21802	1.1
291.19464	1.0
292.79831	0.8
299.04425	2.7
371.67938	0.8
399.00870	0.9
527.25287	100.0
528.25708	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	527.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.36961	0.4
57.03449	2.4
58.00599	0.6
59.01381	13.7
61.46233	0.4
62.39736	0.4
68.99807	0.6
69.03461	0.7
71.01379	19.4
71.53074	0.6
72.99313	4.7
73.02934	1.3
75.00873	17.4
75.01308	0.9
78.95908	1.9
83.01369	0.9
85.02950	21.6
87.00874	6.5
89.02452	5.1
94.98145	0.5
95.01382	4.6
99.00877	7.9
101.02416	0.6
103.00368	2.6
105.79965	0.5
112.01701	0.4
113.02452	30.1
115.00355	1.6
117.01949	2.0
123.33700	0.4
129.01961	1.8
131.03502	0.8
152.99580	8.7
157.01416	0.9
175.02501	3.7
177.82936	0.4
193.03471	0.9
205.07187	2.0
223.08275	1.1
231.05293	0.6
249.06100	5.3
250.04843	0.6
267.07181	6.9
275.20187	0.6
277.21716	53.5
278.22067	1.9
292.30048	0.5
430.21365	0.4
467.26648	0.6
471.42981	0.5
509.27548	2.1
527.28595	100.0
528.28796	10.7
547.42810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99505	1.3
59.01383	12.2
61.98840	1.5
68.57224	1.1
71.01378	14.5
71.53548	2.5
72.99307	5.1
74.53358	1.3
75.00874	15.5
78.95885	4.5
81.04305	1.3
85.02953	14.8
87.00871	5.3
89.02468	2.8
95.01392	2.3
99.00892	7.2
103.00362	1.9
110.06709	1.3
113.02446	21.3
113.70277	1.4
117.01951	1.9
129.01900	1.5
152.99570	9.1
163.00232	1.5
175.02487	3.2
205.07166	2.2
231.04916	1.5
249.06119	18.0
277.21722	64.5
278.22168	2.3
445.23605	1.9
509.27393	3.7
527.28625	100.0
528.28522	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	527.286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24051	1.0
52.62242	1.1
55.01878	1.1
57.03450	2.4
59.01383	8.3
61.98851	2.7
69.03449	1.2
70.47643	2.0
71.01364	5.4
71.05012	5.2
72.99290	1.5
78.95946	1.6
80.02659	1.1
81.03440	2.0
83.05014	8.5
84.02177	1.6
87.00922	1.1
93.03459	1.3
95.05029	1.3
97.02956	4.7
97.06586	6.9
99.00883	20.9
101.02459	1.4
109.06625	3.3
110.03748	1.1
123.08180	2.9
125.09726	15.9
126.27702	1.0
135.04515	3.6
135.08188	2.5
153.12869	1.7
161.02437	3.5
163.11293	23.9
165.12840	3.8
171.10240	5.2
179.03514	2.6
181.12346	49.3
182.12653	1.2
197.11745	1.4
199.13417	13.8
201.11440	1.5
207.10266	40.1
209.11818	100.0
210.12164	2.5
215.07115	2.4
225.11317	79.3
226.11748	3.0
227.12868	15.7
243.12350	47.0
255.91939	1.1
259.77298	1.1
291.19714	2.9
299.14987	11.9
317.16049	38.9
323.22260	6.0
509.27664	6.5
527.28680	77.9
528.29510	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	527.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.2
58.17501	1.6
59.01379	13.5
61.98816	11.5
65.66389	1.6
69.81271	8.6
71.01376	6.6
71.05013	4.7
72.99300	1.8
73.02950	1.9
80.02679	1.9
80.11945	1.8
80.34064	1.6
81.03450	2.1
83.05032	6.1
84.02159	2.8
87.04530	2.9
93.03406	1.9
97.02984	4.9
97.06589	5.8
99.00888	19.3
104.27583	1.7
107.05021	1.7
109.02965	2.3
109.06575	3.7
119.05054	2.2
123.08187	3.2
125.09722	12.6
134.03773	1.7
135.04559	5.5
149.02463	2.0
155.43234	2.0
161.02422	5.8
163.03976	2.0
163.11293	20.0
165.12828	3.1
171.10239	5.7
178.87766	1.6
179.03494	2.7
181.05008	2.1
181.12332	37.1
189.95703	1.7
197.11813	1.9
199.13417	21.1
201.11395	3.6
207.10258	41.2
208.10608	2.3
209.11818	97.2
210.12154	4.5
225.11310	79.9
227.12868	19.2
243.12355	38.2
256.52127	1.8
264.12314	1.9
299.15005	9.1
317.15994	27.8
436.49713	2.0
439.70200	1.9
465.26965	2.6
509.27380	9.8
524.58307	1.8
527.28577	100.0
528.29175	7.8
542.11322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74586	61.9
61.98799	89.3
71.52196	88.4
72.68445	84.0
78.95885	100.0
222.44118	70.2
229.97437	71.8
257.96484	72.0
343.01712	87.1
382.71591	89.0
384.66501	86.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.299
Annotation	Milbemectin
Peak:m/z	Relative Intensity
51.44126	35.6
61.98825	60.1
62.17687	31.8
70.59095	63.3
78.95910	62.6
79.74281	37.0
92.92165	34.6
154.42731	31.5
255.23314	36.6
460.09232	35.9
527.17548	48.1
527.29803	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	528.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60326	0.2
57.03447	2.3
59.01377	2.5
61.98830	100.0
63.64298	0.2
63.99250	0.3
65.09921	0.2
71.01387	1.0
71.28593	0.5
72.99303	0.2
73.02959	0.4
80.96510	1.0
83.82549	0.2
85.02950	0.4
87.76459	0.2
89.02464	0.3
98.20580	0.2
99.04523	3.0
101.02448	1.5
122.65007	0.2
123.04554	0.7
125.02450	1.7
138.06902	0.5
150.49667	0.2
151.07664	0.4
152.08461	0.5
153.05617	0.3
153.09216	2.0
161.04535	0.4
167.03539	0.4
194.37358	0.2
205.12338	1.0
223.13498	0.3
225.00824	0.2
297.12555	0.6
311.07816	0.7
367.17679	0.6
375.14044	0.2
385.18646	1.1
427.19714	0.6
459.00644	0.2
465.14209	0.3
528.18176	2.2
529.23572	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89895	0.7
56.71463	0.8
59.01343	1.1
61.98830	1.0
63.09784	0.7
67.48844	0.8
70.11399	0.8
71.01370	1.1
71.52641	1.0
75.00866	1.2
78.37074	0.8
78.95902	26.8
79.69976	0.8
85.02923	0.9
96.96001	5.5
96.96952	3.6
99.00879	1.0
113.02438	2.5
132.88412	0.9
150.98119	1.1
152.99579	100.0
153.99947	1.0
171.00667	1.2
198.87381	0.9
225.85583	0.8
250.04794	8.0
253.21799	5.9
277.21710	35.3
278.22031	3.0
306.28030	0.9
318.25369	0.8
358.22321	0.9
364.23734	0.9
478.29510	4.4
528.27509	37.3
529.27875	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	529.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	85.6
58.00594	1.8
59.01376	100.0
61.98816	1.3
69.03447	1.5
71.01376	43.0
72.99329	2.5
73.02941	31.3
78.95919	1.3
79.05535	1.7
80.96523	2.0
81.03461	3.1
83.01383	10.8
85.02951	8.7
87.00898	1.9
89.02438	30.1
95.01395	3.6
96.95971	1.2
97.02940	1.6
97.06580	2.0
99.00859	1.2
99.04514	97.6
101.02439	58.3
109.02954	2.8
113.02440	23.5
113.06074	2.6
119.03494	10.9
123.04509	11.5
125.02440	42.6
131.03535	3.0
135.04543	2.0
141.05643	1.7
143.03517	9.4
145.02983	3.4
149.04591	5.0
153.05548	2.4
153.09195	8.7
161.04547	26.3
163.11281	1.1
165.09235	1.1
167.03476	1.5
173.04553	1.6
179.05606	14.4
187.11247	3.6
205.12306	15.2
205.14140	1.5
221.06642	3.4
223.13425	3.0
225.00670	1.1
233.06717	2.2
261.09717	1.1
263.07730	9.2
267.06665	4.0
311.05365	1.4
323.09790	21.0
324.55438	0.9
329.03485	1.0
355.05029	1.2
367.17593	14.3
385.18668	36.8
386.19135	1.6
427.19702	15.0
467.23022	3.8
485.23935	3.8
493.13498	1.4
529.23096	41.3
530.23407	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	529.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	73.2
57.75423	0.7
59.01377	58.5
61.98828	100.0
62.98544	1.7
63.99265	1.3
71.01381	24.4
71.51273	0.9
71.51617	0.9
72.99311	1.0
73.02946	14.4
80.96512	3.2
81.03477	1.4
82.96107	1.7
83.01403	3.7
85.02953	7.4
87.00890	1.1
88.98814	0.7
89.02432	7.8
95.01410	1.4
95.05061	1.2
97.02979	2.3
99.00911	1.7
99.04516	78.2
100.04897	1.3
101.02440	34.1
109.02961	0.9
109.06629	1.0
113.02448	10.7
113.06133	2.4
119.03534	2.2
122.03709	1.0
122.97515	0.8
123.04578	3.2
123.08190	1.4
125.02443	38.1
125.06107	1.3
130.86057	0.7
136.05338	1.5
138.06868	10.9
139.07709	3.4
143.03481	3.9
149.04594	1.1
151.07652	10.0
152.04854	1.0
152.08427	13.9
153.09209	59.5
159.03041	0.8
161.04547	9.2
163.11343	1.1
165.09210	1.1
167.07158	1.0
179.05666	1.5
190.10092	1.5
199.32008	0.8
203.05728	1.5
205.12328	24.9
223.13394	16.0
224.13780	1.0
225.00832	2.0
227.00375	0.8
262.68927	0.8
262.71771	0.8
267.06870	0.9
287.28589	0.8
316.29108	0.8
367.17593	14.8
385.18683	25.7
392.09604	0.8
427.19666	13.7
467.23331	3.1
485.23779	3.6
529.23608	29.4
530.24036	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03448	95.4
57.17141	0.8
58.03789	1.0
59.01379	76.8
61.98827	6.1
62.30109	0.8
68.98438	0.9
71.00173	1.9
71.01380	29.7
72.99310	2.4
73.02940	20.2
74.17995	0.9
80.96526	1.1
81.03458	2.8
83.01384	8.1
85.02960	6.4
87.00877	5.8
89.02444	18.0
95.01398	2.7
96.96008	3.0
97.02914	1.2
97.06576	1.2
99.04520	100.0
101.02442	50.3
113.02460	12.0
119.03510	8.2
119.04980	1.0
121.02913	0.9
123.04527	6.9
125.02451	51.4
131.03505	2.2
131.30379	1.1
135.04507	3.0
141.05580	2.1
143.03505	8.5
149.04556	3.7
155.03571	1.0
161.02438	2.1
161.04546	14.6
161.09767	3.2
173.04549	3.7
174.56863	0.9
175.07626	0.9
175.11237	1.0
176.08452	2.4
179.03433	1.4
179.04237	0.9
179.05615	8.3
179.10806	1.3
184.15761	0.9
187.11275	12.9
189.09216	1.1
190.09995	2.6
203.10773	2.4
204.11493	3.0
205.12323	17.6
221.06589	1.6
223.09834	1.6
233.11841	7.7
233.48276	0.9
259.13229	4.9
277.14407	8.2
349.16641	2.3
353.06693	3.8
367.17560	7.5
385.18704	8.9
409.18802	1.9
427.19672	8.0
467.22778	1.3
485.23624	2.1
529.13440	2.0
529.22607	21.1
542.61127	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	529.229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17540	1.7
57.03435	4.4
58.20445	1.9
59.01379	100.0
61.98585	1.9
61.98832	18.9
68.58412	1.9
69.21642	10.5
69.22063	5.6
71.01392	20.3
71.05027	2.2
72.99304	4.9
73.02947	14.9
83.01382	5.7
85.02966	3.9
87.00832	2.5
89.02437	6.2
93.03443	5.5
97.06573	2.1
99.04488	4.0
99.90944	2.0
101.02450	12.9
109.02939	2.7
113.02436	4.6
119.03461	3.8
133.02917	6.2
135.04524	10.5
137.02406	4.7
161.02448	26.2
161.04488	2.9
163.03978	3.4
171.10214	3.4
173.04530	15.1
179.03490	5.2
197.04584	2.9
201.11230	2.3
209.11804	19.8
220.39519	1.9
242.02107	2.3
263.16592	6.0
270.01608	4.0
271.02338	3.0
286.94739	2.0
295.02344	3.2
300.02789	3.3
307.19058	2.1
327.41260	2.0
367.21277	3.7
393.08203	2.4
401.25421	2.2
426.29950	2.5
443.22842	3.6
467.22714	4.7
485.23901	64.9
486.24265	3.6
511.28311	2.4
514.05927	2.1
529.13098	6.7
529.26404	10.2
530.14008	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	529.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35706	1.0
56.84333	1.0
57.03447	1.6
59.01379	100.0
60.01696	1.2
61.98830	12.5
65.12885	1.0
67.01907	1.1
67.72713	1.1
69.03438	1.2
69.43361	7.8
71.01382	22.6
72.99297	5.0
73.02950	20.1
75.79110	1.1
83.01377	6.6
85.02944	4.7
87.00888	2.1
89.02443	6.0
93.03443	4.6
98.19920	2.6
99.04521	2.4
101.02446	15.6
109.02950	2.5
111.04519	1.2
113.02427	4.6
119.03516	1.9
119.05016	3.1
121.02958	1.6
125.02410	1.7
131.03525	1.5
132.64117	1.4
133.02962	5.3
135.04529	10.1
137.02454	3.6
143.03453	1.5
145.02907	1.5
147.04510	1.2
151.03983	1.6
158.08060	1.2
161.02458	17.3
161.04550	4.1
163.04001	1.3
173.04581	7.7
177.01944	1.5
179.03502	2.9
197.04494	1.3
201.11282	1.4
202.06401	1.0
205.12311	1.4
209.11845	11.7
214.02766	1.2
223.78511	1.2
242.02126	1.5
263.16516	14.3
270.01584	1.9
279.03012	3.8
295.02493	3.9
300.02756	1.2
305.13895	1.2
307.19189	3.3
311.05652	2.2
313.07040	2.2
323.99542	1.2
324.02640	6.7
325.03616	1.8
359.07062	1.1
359.11682	1.1
361.05847	1.4
367.21274	2.3
381.33432	1.2
425.21689	1.7
443.22623	4.1
463.08691	1.7
467.22775	4.9
469.22900	1.3
485.23898	79.4
486.24368	5.0
529.09412	2.2
529.14325	1.9
529.26361	9.8
530.26752	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	529.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
59.01374	11.9
61.98826	14.1
69.34927	3.0
69.35352	2.2
71.01382	8.2
71.05012	2.3
72.99311	1.8
73.02943	2.1
78.95901	1.9
83.01392	0.9
85.02961	1.3
87.00879	1.1
89.02445	6.3
96.95977	0.9
97.06566	0.8
98.19952	1.4
101.02438	8.5
103.67542	0.6
113.02447	4.0
119.03491	2.3
122.98465	1.0
133.02953	1.1
134.03720	0.7
135.04514	2.6
136.46873	0.7
145.44481	0.7
152.99641	0.8
161.02428	2.3
161.04529	3.7
177.01793	0.7
179.03447	0.8
179.05588	1.5
183.13893	0.6
188.15871	0.6
195.14052	0.6
209.15567	0.7
217.15970	0.7
221.15472	0.8
231.21150	2.8
235.08197	1.8
235.17004	48.9
236.17313	1.3
253.09279	41.8
260.63333	0.7
273.18765	0.6
275.20139	74.3
276.20502	2.8
293.21210	100.0
294.21524	4.1
305.21255	1.5
355.15445	1.0
469.48810	0.8
530.29028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03448	0.3
58.00599	0.3
59.01374	6.3
61.98834	0.4
63.43090	0.2
65.41146	0.1
69.03452	0.2
71.01379	4.6
71.52647	0.2
72.99306	0.3
73.02950	0.6
75.33099	0.2
83.01382	0.5
83.05029	0.2
85.02938	1.1
85.03398	0.2
87.00876	0.8
89.02443	5.2
91.04009	0.2
95.01384	0.4
97.06578	0.3
99.00892	0.4
101.02441	5.5
102.77949	0.2
107.66605	0.2
111.08144	0.4
113.02448	2.4
119.03487	1.3
143.03523	0.5
151.11275	0.2
161.02409	0.2
161.04555	2.9
167.10722	0.3
168.39507	0.2
177.12822	0.2
179.05623	1.1
179.14417	1.2
195.13882	8.7
196.14551	0.7
205.12379	0.6
205.15959	0.4
211.13393	0.7
223.13393	5.5
224.13867	0.3
228.13626	0.7
231.21150	0.4
235.08244	0.3
239.12953	0.3
249.22252	0.2
253.09270	29.5
254.09608	0.7
256.13144	1.5
265.21582	0.6
275.20126	5.6
293.21207	100.0
294.21530	4.1
310.82220	0.2
312.90100	0.2
492.22226	0.9
529.30457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
57.03441	0.4
58.00601	0.3
59.01377	7.5
61.98824	0.2
64.27493	0.1
69.03433	0.2
69.17970	1.2
70.07114	0.1
71.01381	5.7
72.99306	0.4
73.02939	0.9
83.01401	0.4
83.05032	0.2
85.02956	1.2
87.00878	0.9
89.02444	5.2
91.04001	0.2
95.01406	0.5
95.05014	0.2
97.02942	0.2
99.00888	0.2
101.02439	6.2
111.08158	0.5
113.02448	2.8
113.09724	0.3
119.03487	1.4
125.02453	0.2
131.03519	0.3
133.05078	0.2
141.09119	0.2
143.03499	0.5
161.04567	3.1
167.10794	0.4
177.12869	0.3
179.05615	1.1
179.10760	0.1
179.14432	0.8
181.12317	0.3
183.10243	0.1
195.13896	9.0
196.14534	0.8
205.12376	0.7
205.16023	0.5
211.13333	0.3
223.13387	6.2
224.13860	0.3
228.13612	0.7
231.21114	0.3
235.08229	0.4
249.22151	0.2
253.09271	31.1
254.09601	0.7
256.13153	1.4
265.21701	0.4
275.20142	5.9
276.64957	0.1
293.21210	100.0
294.21530	4.6
335.76358	0.1
492.22015	0.8
529.20862	0.1
529.30524	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	529.3023
Annotation	Kukoamine A
Peak:m/z	Relative Intensity
55.01875	0.6
57.03430	1.9
59.01379	9.8
67.01878	0.5
70.93716	1.1
71.01378	15.8
72.99310	3.8
73.02971	1.0
75.00871	13.7
78.95900	1.1
81.64065	0.6
85.02950	20.5
87.00867	6.9
89.02441	5.2
92.33898	0.5
94.98064	0.9
95.01376	4.5
99.00873	8.5
101.02443	0.6
102.38931	0.6
102.96339	0.5
103.00373	2.9
113.02448	27.9
115.00352	1.6
117.01949	1.9
129.01917	1.6
152.99579	1.6
157.01410	0.8
173.76936	0.5
175.02484	4.0
205.07185	2.6
205.12347	0.6
223.08206	1.0
231.04991	1.0
244.02765	0.5
244.10286	0.5
249.06158	6.1
255.23170	0.8
267.07217	6.6
278.76871	0.6
279.23270	61.4
280.23587	2.3
309.89966	0.5
313.63907	0.5
480.30725	0.9
511.29169	2.2
529.30139	100.0
530.30609	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	530.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00343	0.4
61.98822	1.2
63.95436	0.4
78.95900	28.0
96.96013	1.3
96.96949	3.8
133.08003	0.4
134.60880	0.4
139.64626	0.5
148.51918	0.5
150.97951	1.1
152.99579	100.0
153.99939	0.7
171.00641	0.9
194.02148	0.7
215.67766	0.5
237.54524	0.5
250.04813	7.3
255.23288	10.6
256.23849	0.6
268.05942	0.9
279.23276	46.3
280.23605	2.0
465.68527	0.6
480.30899	3.6
530.28845	37.0
531.29272	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	531.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.89916	0.3
61.98824	0.9
69.88189	1.8
71.01364	1.5
79.95733	2.3
80.96516	2.1
81.03452	1.3
83.01376	2.9
85.02931	0.8
87.00888	0.7
89.02448	0.6
93.03486	2.0
95.00171	0.4
95.05019	1.3
96.96004	6.6
97.02939	2.1
99.04513	0.6
101.02448	0.6
109.02943	10.3
119.05030	0.6
121.02952	2.1
122.03717	0.7
123.04523	6.5
125.02437	6.7
133.02985	0.5
135.04507	1.3
137.02438	41.0
138.03177	0.6
139.04001	1.9
145.02927	0.9
146.03725	0.9
147.04489	2.6
149.02448	3.0
150.03137	0.4
151.03998	11.1
157.02951	0.4
159.04509	2.1
160.05237	0.9
161.02409	1.2
161.06076	2.7
162.03224	1.0
163.03947	1.4
164.01152	1.6
165.01941	4.0
167.03468	1.3
173.04587	0.9
175.03952	1.2
175.07590	0.7
179.03456	3.3
182.09392	0.6
185.06081	0.4
187.03989	2.5
188.04694	2.0
191.05620	3.2
202.06343	1.4
203.03363	0.7
203.07117	7.3
205.05061	5.1
214.57724	0.4
216.96086	0.7
216.98109	10.4
217.08659	0.4
221.08185	1.7
227.07115	1.4
229.01427	1.8
229.05060	0.5
230.73546	0.4
241.00165	2.2
245.08159	14.5
245.10674	0.8
247.06079	0.6
250.06416	0.6
267.06601	1.2
269.08188	2.1
271.06210	1.0
277.05127	0.4
284.12500	2.2
289.07166	27.4
290.07645	0.8
295.06012	1.5
302.13718	1.2
303.13806	0.5
313.07159	1.3
339.05051	7.8
369.02789	8.1
412.70844	0.4
451.12396	3.4
476.69077	0.4
512.25586	0.7
531.08099	100.0
532.08362	5.4
535.20587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54153	0.3
56.06849	0.3
57.03439	0.8
59.01371	1.5
61.98820	1.0
71.01367	1.1
71.08778	0.5
73.02932	0.6
81.03465	0.4
85.02940	2.7
87.00876	0.7
93.03455	1.4
94.96629	0.4
99.04498	1.0
101.02452	0.8
104.30312	0.4
108.02156	0.9
109.02949	13.8
117.03465	0.4
117.83392	0.4
119.05019	1.5
121.02953	1.9
123.04524	1.4
124.09003	0.4
129.03477	2.6
131.05011	0.5
133.02895	0.4
135.04509	0.4
137.02412	0.7
140.57088	0.4
145.02945	5.5
146.03708	2.0
147.04515	21.3
148.04842	0.5
153.05571	0.8
157.02937	4.3
158.03682	1.0
159.04507	8.9
161.02382	0.6
161.04549	0.6
163.03931	0.4
173.02399	1.5
173.04512	1.1
174.03218	0.9
175.04010	1.8
177.01840	0.5
185.02441	3.0
186.03114	0.5
191.05603	16.1
193.06535	0.7
196.05269	0.6
201.01962	0.9
203.03369	0.7
207.06586	0.9
211.07578	0.9
221.06044	1.8
222.06659	0.7
224.04761	0.6
225.05634	0.6
229.01398	25.0
230.01956	1.2
237.05566	0.5
239.07050	1.8
248.04860	0.9
249.05518	4.2
250.06287	1.7
251.07069	1.0
253.05013	1.2
264.03967	0.5
265.05130	0.9
266.05850	1.2
267.06607	14.0
268.07098	0.4
269.08160	7.2
270.08429	0.4
276.04224	0.7
277.05057	8.4
278.05728	2.0
280.03595	0.7
293.04587	4.1
294.05276	2.7
295.06079	13.2
311.05646	0.5
313.07217	3.6
339.05060	100.0
340.05435	5.2
357.06100	0.8
513.16364	0.5
531.11005	3.7
531.17554	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.9
57.31813	0.4
58.22500	0.4
59.01374	7.3
61.18419	0.4
61.98831	3.2
67.01878	1.0
69.40898	0.4
70.16201	0.3
71.01376	3.2
71.99946	0.4
72.99313	0.5
73.02955	2.0
80.96498	0.6
81.03436	0.6
83.01396	0.9
83.05025	0.5
85.02949	3.7
87.00859	1.3
88.98843	0.5
89.02428	1.6
90.02077	0.4
93.03459	5.6
96.95984	0.5
99.04510	5.7
101.02435	3.3
107.50976	0.5
108.02150	1.2
109.02947	25.9
111.04512	1.2
113.02450	1.5
117.03422	0.5
119.03474	0.6
119.05006	2.6
121.02943	2.7
122.82621	0.4
123.04506	1.7
125.02447	2.6
127.03994	1.1
129.03453	4.3
131.05026	0.8
133.02948	0.7
135.04509	1.5
137.02417	1.5
145.02950	9.2
145.04880	0.5
146.03726	5.0
147.04512	50.1
148.04857	1.0
153.01956	2.4
153.09193	0.6
155.03522	0.9
157.02905	4.3
158.03716	1.4
159.04503	20.1
160.04820	0.5
161.02417	1.4
161.04552	1.4
163.04015	0.8
173.02437	2.1
173.04536	9.3
174.03192	0.5
175.03957	2.3
179.03403	0.8
185.02419	3.5
186.03111	0.8
191.05595	21.3
193.06511	1.0
197.06001	0.7
201.01920	1.2
203.03439	4.3
205.04094	0.5
205.12315	0.5
209.06027	0.6
211.07646	0.8
220.05275	0.8
221.06131	1.8
222.06691	0.6
223.07870	0.5
225.05531	0.7
229.01387	29.1
230.01981	1.1
233.06105	0.5
237.05431	0.5
238.06331	1.2
239.03391	0.5
239.07104	1.7
248.04805	1.2
249.05550	4.2
250.06339	2.1
251.07066	0.8
253.05048	1.1
265.05038	1.6
266.05859	1.5
267.06595	14.7
268.07080	0.7
269.08160	26.9
270.08417	0.9
276.04285	0.7
277.04987	9.0
278.05762	1.4
293.04572	4.2
294.05228	2.5
295.06091	14.4
296.06491	0.6
313.07172	20.7
314.07593	1.2
339.05057	100.0
340.05396	5.2
357.06146	5.3
369.18942	0.5
436.82205	0.5
494.99341	0.5
495.19489	0.4
531.11542	2.7
531.18390	1.5
531.25360	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	531.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77393	0.5
57.03448	15.9
59.01378	22.1
61.88367	0.6
61.98815	2.2
64.49696	0.5
67.01899	0.8
70.83728	1.1
71.01381	5.9
72.99287	0.8
73.02940	2.3
75.00885	0.5
83.05006	0.7
85.02959	6.1
87.00871	1.3
89.02435	3.5
93.03465	7.4
96.96011	8.4
99.04517	19.8
101.02448	7.9
108.02145	1.2
109.02950	27.4
111.04506	1.2
113.02441	2.6
117.03448	0.8
119.03494	0.9
119.04988	2.5
121.02937	2.9
123.04496	1.5
125.02448	9.2
127.04030	0.9
129.03461	5.3
130.04196	0.9
131.05026	0.8
133.02937	0.8
135.04509	1.9
137.02448	2.0
143.03511	1.5
145.02956	9.3
146.03722	5.7
147.04523	55.1
148.04817	1.5
155.03438	0.8
157.02942	4.6
158.03687	1.2
159.04512	22.6
161.02454	1.7
161.04535	1.2
163.03963	0.7
173.02420	1.7
173.04532	13.8
175.03960	2.5
179.05728	0.7
185.02437	3.5
187.03993	0.9
191.05612	20.6
193.06526	0.8
201.01874	1.8
203.03459	6.3
205.57640	0.5
211.07623	0.8
221.06155	2.1
224.04694	0.8
225.05576	0.8
225.15161	0.9
229.01392	28.7
230.01869	1.4
231.79749	0.6
239.07123	2.3
244.27719	0.5
248.04865	1.3
249.05591	5.2
249.84181	0.7
250.06264	2.3
252.07683	0.6
253.05127	0.9
265.04947	0.6
266.05750	1.4
267.06607	15.1
268.07120	1.0
269.08179	30.9
270.08496	1.3
276.04379	1.1
277.05069	7.1
278.05731	2.1
293.04507	4.1
294.05231	2.6
295.06100	14.4
296.06516	0.6
313.07162	21.3
314.07532	1.7
339.05075	100.0
340.05444	6.0
357.06094	4.8
369.19189	0.7
387.20181	3.8
429.21329	3.1
487.13104	0.6
531.11426	2.4
531.24231	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	531.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	0.7
71.53268	0.3
72.30772	0.2
75.57827	0.2
78.95899	23.3
80.26489	0.2
83.19209	0.2
96.96006	1.0
96.96957	0.8
98.95596	0.8
99.92569	0.5
100.93279	0.3
115.92043	0.4
116.92861	0.9
121.02953	1.3
141.59193	0.2
147.04558	1.3
150.97968	0.2
152.99562	3.3
171.01952	0.2
178.88419	14.4
179.89226	4.6
180.89987	7.1
181.89995	0.3
182.56862	0.3
194.87924	0.9
194.89937	0.3
196.89465	100.0
197.89484	2.8
198.89876	0.3
204.89915	0.4
234.90984	0.4
235.91811	0.7
236.92497	0.3
252.92090	0.8
270.41739	0.2
279.23340	0.9
280.23630	0.4
439.09616	0.3
443.10919	0.3
455.09189	1.4
457.10849	0.4
495.12253	0.5
513.13495	1.2
527.11456	0.4
531.14496	12.9
531.28534	0.4
532.14618	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	24.1
59.01376	14.6
61.98824	0.9
67.78954	0.7
69.66160	1.7
69.66570	2.0
71.01383	4.3
73.02941	12.4
79.75678	0.6
83.01378	1.1
83.05013	0.7
85.02939	2.1
89.02437	1.6
95.05007	1.0
99.04515	10.0
101.02428	7.8
109.06597	0.8
113.02426	3.0
123.04529	0.9
125.02436	7.1
135.04521	1.5
141.42657	0.7
143.03476	1.7
161.02435	0.8
161.04506	3.7
163.11273	8.4
173.04503	1.2
177.01883	0.9
179.03447	0.6
179.05566	0.8
181.12334	67.7
182.12660	1.9
195.13980	0.9
203.05594	2.4
207.10286	3.1
225.11310	100.0
226.11636	3.0
249.11389	1.1
259.71442	0.7
267.12384	1.4
305.08768	19.4
306.09216	0.7
323.09799	0.7
387.16562	11.7
429.17697	3.3
469.20523	0.8
531.20770	9.3
531.28192	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	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	87.3
58.03789	1.1
59.01377	95.8
59.18647	0.6
61.98837	6.5
69.15504	7.2
71.01378	14.5
72.99314	1.4
73.02941	5.8
77.08002	0.6
81.03455	2.3
82.46638	0.7
83.01405	2.0
83.05006	1.0
85.02956	5.9
87.00906	0.7
88.98818	0.9
89.02435	5.3
93.03455	3.2
96.95978	0.7
99.00887	1.1
99.04517	100.0
100.04839	1.1
101.02441	30.3
109.02953	7.2
113.02442	8.1
116.49642	0.7
119.03492	2.6
119.05080	0.7
120.39989	0.7
123.08173	7.5
125.02444	39.4
129.03520	1.2
135.04536	1.6
137.09724	2.5
143.03476	5.7
145.02943	2.3
146.03780	0.7
147.04504	13.4
149.04590	0.7
153.01936	1.6
157.02934	1.6
159.03287	1.1
159.04459	5.0
161.02444	1.1
161.04544	6.6
163.11281	7.3
169.10188	0.6
173.04512	4.2
175.03932	0.9
179.05675	1.7
185.02452	1.2
189.12839	11.4
190.13011	0.8
191.05594	5.9
203.03496	1.4
207.13901	13.9
221.06146	1.1
225.15010	3.5
229.01352	8.7
229.59673	0.7
239.07274	0.8
249.05524	1.4
267.06552	4.5
269.08115	5.9
277.04916	3.0
278.05475	1.2
293.04303	1.2
294.05399	1.0
295.06104	4.4
313.07278	5.0
339.05069	27.6
340.05316	2.4
357.05975	1.2
387.20270	9.3
429.16891	0.7
429.21436	6.9
431.19156	1.4
469.24179	1.3
531.11829	1.5
531.24548	14.5
532.25134	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	100.0
57.20437	0.7
58.03792	1.1
59.01379	94.8
60.01717	1.2
61.98837	1.6
69.48691	1.6
69.49100	2.9
71.01379	14.7
72.99303	0.7
73.02950	4.9
75.00889	0.7
81.03463	2.1
83.01389	3.3
83.05054	0.8
85.02956	6.1
89.02448	7.5
93.03424	1.0
96.96026	0.9
97.02903	0.8
98.20608	1.6
99.00873	1.1
99.04516	99.7
100.04852	1.7
101.01921	0.4
101.02438	32.6
113.02459	7.3
119.03497	3.1
123.08158	9.2
125.02443	40.7
126.02807	0.8
135.04544	1.0
137.09727	2.9
143.03476	6.2
147.04485	0.9
161.02495	0.8
161.04532	8.0
163.11279	7.6
173.04483	1.4
179.03513	1.0
179.05585	2.5
189.12836	13.7
191.05637	2.4
193.84482	0.6
203.05534	0.8
207.13904	16.1
207.15817	0.8
209.11830	1.8
225.14955	3.4
231.27611	0.7
328.40637	0.9
369.18967	0.9
387.20218	12.7
429.21304	10.3
431.19244	1.2
469.24399	2.9
487.25360	1.8
531.24493	31.2
532.24695	2.1
558.65607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.5
57.03447	81.8
58.00587	1.4
58.03800	0.8
59.01379	100.0
61.90579	0.8
61.98820	3.0
64.43909	0.8
65.87276	0.9
69.35119	2.4
69.35544	3.9
71.01380	32.3
72.99284	3.0
73.02950	8.4
77.10849	0.9
81.03435	1.6
83.01376	5.8
85.02952	11.3
87.00860	3.4
89.01939	1.5
89.02445	25.4
93.03469	1.5
95.01365	2.8
96.95992	2.6
97.02950	1.4
98.19864	1.5
99.00866	2.2
99.04517	80.0
101.02441	42.8
102.02741	1.2
105.10259	0.7
113.01738	0.6
113.02440	16.1
119.03511	9.1
119.04959	0.9
123.04485	1.0
124.64707	0.9
125.02448	36.4
128.03505	1.6
133.02905	0.8
135.04491	2.8
137.09714	2.1
143.03499	6.1
152.08424	2.0
159.03043	1.0
161.02391	2.3
161.04520	4.7
167.92717	1.0
173.04527	2.6
179.03377	1.3
179.05579	1.9
191.05557	2.1
195.13882	1.2
197.15346	1.5
205.57091	0.8
207.13843	2.3
225.14935	14.2
321.03998	0.9
369.09744	2.2
369.19153	30.7
370.19299	2.1
387.20224	98.4
388.20596	5.7
429.21259	30.8
430.21539	1.6
469.24319	7.8
487.25235	3.2
531.24329	50.5
532.24475	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	531.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72376	1.0
56.10127	0.9
57.03434	3.0
59.01379	100.0
61.98826	2.7
66.08164	0.9
70.52515	2.2
70.52907	1.9
71.01379	15.8
72.99301	1.7
73.02949	12.9
83.01394	5.6
85.02956	4.0
87.00885	1.2
89.02439	6.6
101.02437	14.1
103.45656	0.9
107.08146	0.9
113.02457	4.8
113.83333	1.0
119.03507	1.8
123.04582	1.2
125.02428	1.3
125.09714	0.9
133.02922	1.9
135.04530	1.5
141.07947	0.9
161.02411	2.8
161.04524	2.2
173.04576	2.8
179.03555	1.5
238.48705	1.0
265.18063	1.9
267.34219	1.0
296.15118	0.9
309.20569	1.3
315.66473	0.9
325.20346	1.5
325.50876	1.1
327.21643	1.1
351.21689	1.7
369.22748	1.6
387.20258	3.8
427.23154	1.8
445.24274	2.8
469.24402	4.8
471.26010	2.0
487.25446	94.1
488.25635	5.7
489.27090	1.2
531.28198	17.4
532.29187	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.4
59.01376	6.5
61.98830	2.3
69.51608	1.3
70.51108	0.2
71.01003	0.4
71.01372	4.0
72.99300	0.2
73.02927	0.4
74.81197	0.2
78.95889	0.7
83.01366	0.3
85.02922	1.1
87.00880	0.5
89.02439	4.5
93.03482	0.3
95.01389	0.4
96.99165	0.2
97.06591	0.3
98.20722	0.2
101.02431	5.2
113.02443	1.9
113.09725	1.1
119.03488	1.2
143.03482	0.6
152.99573	0.9
161.04562	2.6
179.05571	1.2
179.14386	0.9
181.12321	0.5
195.13884	14.8
196.14211	0.5
230.54417	0.2
233.22786	0.4
251.23686	0.3
253.09258	26.2
254.09610	0.6
259.20575	0.3
277.21707	13.4
278.21988	0.7
293.21188	0.5
294.21533	0.3
295.22754	100.0
296.23093	4.7
307.22733	0.4
418.73740	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.8
59.01370	2.1
61.98830	2.1
70.78516	1.2
70.78834	2.4
71.01373	4.1
71.05013	4.5
73.02936	2.9
79.29244	0.9
81.55457	1.2
83.01385	11.4
97.06583	4.9
101.06042	1.4
123.08172	1.6
125.06088	2.0
125.09726	23.0
141.09209	4.6
153.09206	2.7
163.11209	1.1
165.12822	3.4
171.10248	2.2
181.12260	2.0
183.13908	2.0
187.09718	1.6
191.10747	3.8
209.11768	8.6
215.13008	1.3
227.12878	100.0
228.13138	2.8
253.10806	30.7
254.11331	2.5
277.21738	14.4
425.34341	1.9
443.35104	2.8
469.33136	6.5
531.33234	73.2
532.33826	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	533.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.0
59.01367	1.7
62.42725	0.4
63.02394	0.6
63.02735	0.4
65.00319	0.6
69.34726	2.5
71.78408	0.3
78.02825	0.3
83.01392	0.4
84.64717	0.4
89.83781	0.4
91.01853	0.4
93.03456	1.5
98.19916	0.9
99.04536	0.4
99.91077	0.4
103.40659	0.3
107.01370	1.8
107.14252	0.4
109.95628	0.4
119.05022	0.5
125.02457	0.4
132.02180	1.6
135.00856	2.2
135.07494	0.4
143.05029	0.9
151.00366	1.4
157.03098	0.4
159.04536	1.2
163.00346	1.8
164.01128	0.7
169.06563	0.9
171.04497	0.9
183.04503	1.0
185.02393	0.5
185.06055	2.0
187.03975	2.6
189.05493	0.6
195.04436	0.7
197.06078	0.9
199.03984	1.3
200.04800	0.6
211.03993	2.4
213.05508	1.3
227.03484	30.1
228.03944	1.4
229.05016	10.3
239.03401	1.4
240.04311	0.7
241.05165	1.9
255.02959	62.8
256.03455	4.9
257.04535	5.1
267.02988	1.0
283.02591	0.6
284.03232	82.7
285.04001	100.0
286.04349	4.6
327.05411	0.7
489.10336	55.5
490.10858	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	533.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.2
61.98816	1.9
69.34650	13.0
100.50742	1.7
114.41093	1.9
116.14434	1.5
119.05013	6.7
123.04543	1.9
135.00873	2.9
138.61943	1.7
153.01906	1.8
161.17563	1.7
163.04005	7.5
167.03531	2.4
184.70503	1.7
227.03458	24.6
229.05081	6.3
255.02960	60.1
256.03497	5.3
257.04510	4.3
284.03232	100.0
285.04004	81.8
286.04318	4.0
305.24902	1.7
429.08170	2.1
475.12509	9.9
489.10318	64.7
490.10672	5.1
533.12909	1.9
533.24689	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	533.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95897	0.3
60.94585	0.3
61.98822	0.8
77.32066	0.3
78.95901	22.4
87.74382	0.3
96.43464	0.3
96.96005	0.6
96.96975	0.9
98.95595	0.7
99.92567	0.6
108.37184	0.4
115.92104	0.4
116.92870	0.8
152.99548	2.3
178.88422	13.2
179.89217	5.4
180.89987	7.1
194.87915	1.0
194.90033	0.3
196.89471	100.0
197.89503	2.7
218.05898	0.3
234.90933	0.5
235.91853	0.6
252.92056	1.0
260.31448	0.4
297.21091	0.3
351.92252	0.3
368.08261	0.3
457.11411	0.7
459.12534	0.4
465.01346	0.3
515.15131	0.8
533.16138	12.0
533.28418	0.5
534.16498	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82920	0.3
55.46222	0.3
57.03448	25.9
59.01379	7.1
61.98823	1.3
69.46613	0.7
69.47013	2.1
71.01382	0.8
72.99315	1.0
78.95956	0.3
81.03461	1.0
83.01405	0.6
93.03483	2.6
96.96009	0.5
98.20692	0.6
99.04516	24.9
100.04842	0.3
100.35516	0.3
101.02436	5.7
103.36411	0.3
107.05039	0.5
107.05728	0.3
121.02955	100.0
122.03294	1.9
125.02444	15.3
133.02919	0.5
135.04514	0.8
137.02429	2.9
139.63094	0.4
143.03503	0.6
147.04533	1.6
161.02475	0.8
173.04549	1.3
179.03445	0.7
185.11844	0.3
187.07684	0.8
227.07120	5.2
243.06615	1.5
244.07176	0.4
281.06741	0.7
283.08228	2.3
287.05359	0.4
313.07477	0.3
325.09357	1.9
333.07635	0.4
333.20789	0.4
341.13898	0.5
365.12561	0.5
371.24417	2.9
489.27243	0.7
533.29083	1.1
535.31079	0.4
535.58069	0.4
540.53430	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53871	0.3
57.03448	0.4
59.01367	1.2
61.16213	0.2
65.27614	0.2
67.01891	0.4
70.62493	0.7
71.01375	1.0
72.37175	0.2
73.02938	0.4
73.07578	0.2
76.89877	0.2
81.03419	0.4
83.05035	0.6
85.02946	8.9
87.00869	2.3
93.03458	3.0
98.10654	0.3
99.04498	0.4
109.02934	0.6
111.04536	1.0
127.03999	2.2
129.01920	0.4
133.35870	0.2
169.06598	0.2
171.02989	0.8
173.04544	1.3
191.05600	100.0
192.05952	2.0
208.41025	0.2
280.75818	0.2
305.97995	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31450	1.1
57.03443	2.7
58.75267	1.3
59.01381	94.1
61.98829	100.0
65.59700	1.4
69.58975	9.0
71.01380	17.7
73.02933	7.7
83.01384	2.5
85.02947	6.0
87.00867	1.7
89.02441	5.9
97.02921	2.0
99.00868	1.6
101.02442	9.7
113.02434	12.6
125.06027	1.4
128.03587	1.7
129.01352	1.4
135.04355	1.5
136.05188	1.8
137.14549	1.3
138.06880	8.8
139.07613	3.3
151.07643	8.3
152.08408	19.2
153.09212	45.4
160.66678	1.4
161.04526	4.1
165.09201	1.9
173.04500	1.7
205.12308	23.3
223.13397	12.3
255.87654	1.9
275.90579	1.6
306.07440	2.9
367.17593	72.7
368.18088	2.2
385.18680	9.4
427.19678	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	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
58.00605	0.3
59.01378	25.8
60.01710	0.5
61.98828	100.0
71.01379	7.5
71.52024	0.4
72.99326	0.8
73.02941	6.8
78.91885	0.3
83.01392	2.7
85.02940	1.5
87.00890	1.1
87.04552	0.3
88.98831	0.4
89.02444	3.1
93.03459	0.6
96.75841	0.3
98.34920	0.3
99.00893	0.7
99.04516	0.8
101.02444	8.8
109.02970	0.7
113.02464	2.8
119.03495	1.8
122.06114	0.6
123.04539	0.7
125.02452	0.6
131.03506	0.6
133.02954	0.5
134.06100	1.8
135.04552	0.8
137.02534	0.3
143.03510	1.2
149.04559	2.0
153.05687	0.4
155.03485	0.7
160.04041	0.4
161.02425	0.8
161.04561	5.0
161.09758	0.6
167.03574	0.4
173.04625	1.2
176.08536	0.5
179.03563	0.4
179.05595	0.5
181.05080	1.0
187.11272	3.6
190.10013	0.8
190.52711	0.3
191.05647	0.6
203.05486	0.3
204.11530	0.8
205.12332	5.7
215.10803	0.4
221.06630	1.5
227.12895	0.4
233.11794	2.7
239.11981	0.8
256.03259	0.3
259.13321	2.2
267.07327	0.4
277.14417	2.7
283.10818	2.9
284.03290	0.5
285.03802	1.1
286.04416	0.9
295.10968	0.7
331.12924	0.3
349.16498	0.6
409.18756	1.0
427.19708	4.7
430.17575	2.0
448.18808	0.3
490.12048	0.5
490.20093	2.6
497.65985	0.4
534.18762	3.2
534.26874	1.0
535.24475	0.4
535.32080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86462	0.4
57.03453	0.6
59.01377	25.6
59.40407	0.4
61.98829	100.0
64.22827	0.3
69.38746	1.2
69.39175	1.5
71.01376	7.3
72.99307	1.1
73.02938	5.8
83.01389	2.4
85.02959	1.5
87.00887	1.5
89.02434	3.1
93.03492	0.4
99.04541	0.4
101.02444	9.4
103.04014	0.5
106.48799	0.4
109.03033	0.5
113.02443	2.9
119.03532	2.0
119.05002	0.5
121.02942	0.5
122.06123	0.7
123.04494	0.6
125.02457	0.8
131.03500	0.7
133.02974	0.4
134.06129	1.9
135.04546	1.1
143.03532	1.3
149.04596	1.7
161.02480	0.5
161.04567	4.5
161.09749	0.7
167.03558	0.6
173.04587	0.9
179.03568	0.6
179.05681	1.2
181.05139	0.8
187.11304	3.8
190.10046	0.8
203.05695	0.6
204.11642	0.7
205.12341	4.4
215.10768	0.6
221.06667	0.9
227.12915	0.5
233.11780	2.7
239.12062	0.5
245.61473	0.4
259.13440	1.5
266.31125	0.3
277.14453	2.9
279.07895	0.3
283.10922	2.1
285.03751	0.7
287.15326	0.5
295.10971	0.9
331.13116	0.6
349.16431	0.6
367.17706	0.7
387.17484	0.4
409.18802	0.7
427.19739	4.0
430.17740	2.4
431.18881	0.5
486.20056	0.4
490.12918	0.6
490.19833	3.0
534.18701	3.4
534.25397	0.5
535.24390	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20812	1.2
55.01867	1.5
57.03450	3.9
59.01378	45.2
61.98828	15.2
69.13567	12.9
69.13988	2.9
71.01371	15.1
72.99307	6.3
73.02947	5.4
73.66860	1.3
76.66844	1.3
78.95900	2.2
79.95764	1.5
83.01387	4.8
85.02957	7.4
87.00877	4.8
89.02441	4.1
93.03458	1.5
96.95409	1.5
96.96006	6.2
98.20609	3.1
99.04539	3.1
101.02438	12.1
109.02956	7.1
111.00891	1.6
113.02468	6.1
119.05002	3.2
123.04515	1.8
125.02471	4.4
133.02951	4.0
135.04555	10.9
137.02486	2.5
139.17059	1.5
149.02473	1.6
152.99599	2.3
153.01921	9.4
161.02452	10.4
163.04019	2.9
167.10785	6.1
171.10172	1.7
173.04535	4.4
179.03496	3.9
181.04999	2.3
192.51067	1.5
213.15535	1.6
265.48413	1.4
269.21268	2.2
287.22278	30.4
288.22571	1.4
309.07675	1.9
313.23917	2.6
331.19064	5.6
331.24945	2.8
373.11298	3.1
373.26169	3.8
431.26511	13.9
449.27527	35.8
450.28015	2.0
475.28821	2.4
491.28595	100.0
492.29013	6.8
493.30066	8.0
535.31238	55.0
536.31653	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3119
Annotation	glas#24
Peak:m/z	Relative Intensity
51.38416	0.3
54.11352	0.3
55.01870	0.6
57.03437	1.4
58.00582	1.2
59.01379	25.1
61.98824	1.7
63.69660	0.3
67.62952	0.3
70.01799	1.5
71.01380	9.6
72.64352	0.3
72.99310	1.3
73.02936	3.4
79.21864	0.4
80.96517	0.5
83.01375	1.8
85.02953	4.6
87.00865	0.8
87.04504	0.5
89.01210	0.3
89.02447	4.4
93.03464	1.4
95.01389	0.7
97.06614	0.4
99.00880	1.0
99.04495	0.5
101.02444	6.5
109.02945	0.7
111.00941	0.4
113.02441	3.6
116.92864	0.4
119.03473	1.7
122.95831	0.3
123.00745	0.3
123.04482	1.0
123.08154	0.6
125.02442	0.6
125.09676	1.4
133.02882	0.9
134.03748	0.3
135.04498	1.6
137.02425	1.0
143.10849	0.5
155.10709	0.8
159.03065	0.4
159.04478	0.4
161.02380	0.7
161.04466	0.5
163.65311	0.4
171.10260	1.4
173.04546	0.5
179.03494	0.9
185.11815	1.3
201.11317	2.8
277.21631	0.5
281.04312	0.4
281.41617	0.3
309.03983	1.0
317.73206	0.3
325.23843	1.3
327.25534	0.4
337.23804	0.9
339.25430	0.7
341.23523	0.5
342.04224	0.3
343.24872	4.1
355.24857	6.6
357.26456	2.6
361.84589	0.4
368.56116	0.4
371.24338	0.9
372.35709	0.4
373.25922	19.3
374.26294	0.8
457.28223	0.7
475.29330	0.8
505.29913	0.8
517.30371	1.8
535.31226	100.0
536.31561	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	535.3122
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01879	0.5
57.03439	1.0
58.00584	0.5
59.01377	14.1
66.99542	0.2
71.01378	7.7
71.05012	0.4
72.99302	0.6
73.02936	1.4
83.01392	1.5
85.02950	2.9
87.00892	0.6
89.02442	4.9
95.01343	0.6
99.00861	0.7
101.02444	4.9
108.02195	0.4
113.02442	2.8
119.03486	1.1
123.08130	0.3
125.02471	0.3
139.11339	0.4
141.12830	0.3
152.01147	0.5
157.12337	0.7
167.03490	1.0
169.12350	0.5
179.03326	0.3
185.11804	2.9
215.12842	3.2
305.35638	0.3
313.23605	0.3
321.04025	0.3
325.23901	0.5
331.18921	0.7
337.23911	0.6
341.23492	0.4
343.24951	1.4
347.09409	0.3
353.06464	0.4
355.24878	7.4
371.24161	0.5
373.25909	14.6
374.26202	0.8
517.30176	1.7
535.31189	100.0
536.31506	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	535.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90092	0.3
55.01865	0.8
57.03447	1.4
58.00581	0.9
59.01378	17.5
60.64042	0.3
61.98823	1.3
69.03470	0.4
70.26191	0.5
70.26581	0.7
71.01378	8.5
72.99300	1.2
73.02942	2.1
80.96499	0.3
83.01379	1.1
85.02957	2.9
87.00864	0.9
87.04521	0.4
89.02437	3.5
93.03462	0.4
95.01379	0.6
96.95992	0.6
97.06572	0.4
99.00856	0.7
99.04491	0.5
101.02431	5.1
108.02171	0.7
109.02927	0.4
113.02457	2.6
116.92789	0.4
119.03518	1.3
123.04518	0.8
125.09679	0.4
133.02948	0.5
135.04526	1.2
139.11278	0.7
149.02451	0.3
152.01146	1.5
155.10823	0.4
157.12297	0.6
161.02417	0.8
167.03516	2.4
169.12328	1.3
171.10316	0.3
173.04547	0.4
179.03516	0.8
179.66039	0.3
181.05031	0.4
183.13795	0.3
185.11832	3.2
199.13374	0.4
215.12860	4.1
216.13208	0.3
225.15034	0.7
258.99100	0.5
285.20706	0.6
313.23575	0.6
325.23807	1.3
331.19162	0.5
337.23825	0.4
343.24911	4.0
355.24890	7.3
357.26453	1.8
371.24545	0.6
373.25925	16.0
374.26263	0.9
430.61011	0.3
475.28879	0.6
505.29929	0.5
517.30347	1.0
535.31195	100.0
536.31525	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	536.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.9
59.01380	42.2
60.01728	0.5
61.98829	100.0
70.83493	0.9
71.01389	1.4
73.02957	0.6
89.02469	1.2
98.20369	0.7
101.02460	1.6
109.02935	0.6
113.02441	0.6
119.03520	0.7
123.08173	1.0
135.04535	0.8
141.89845	0.4
150.35986	0.4
161.04607	0.6
163.11298	0.9
169.29132	0.4
189.12891	1.9
207.13922	3.2
225.15028	0.7
243.85591	0.4
295.06262	0.5
344.77484	0.4
387.20392	1.0
429.21307	4.1
443.09567	0.4
452.34607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	22.7
59.01378	8.4
61.98831	100.0
62.31340	0.6
67.09324	0.6
69.69664	2.8
70.72813	0.6
71.01370	3.1
72.99315	1.7
73.02948	4.7
78.95904	1.7
79.64394	0.5
83.01398	1.9
85.02992	0.7
89.02450	0.7
96.96012	1.2
98.20654	0.8
99.04520	18.9
101.02441	10.4
109.03017	0.8
113.02441	1.3
123.04555	3.5
125.02447	12.1
133.02945	1.2
135.04514	1.4
139.92529	0.6
143.03513	2.5
152.99612	1.4
161.02449	3.6
161.04489	2.6
162.34457	0.5
167.10768	27.2
168.11172	1.2
171.10295	1.3
173.02467	0.6
173.04422	0.5
179.03470	0.8
180.84256	0.6
191.10814	1.7
192.37639	0.6
193.04987	0.7
197.04538	0.9
209.11884	1.6
225.46227	0.6
243.08766	0.7
263.07779	0.7
293.21249	1.6
305.08759	1.6
309.20871	0.7
311.22250	2.7
323.09842	6.4
333.20660	3.4
455.13379	0.6
473.20319	7.8
474.20526	0.7
492.29105	1.0
536.29993	3.2
537.25385	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	536.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32400	0.4
57.03435	0.8
59.01377	41.0
60.01709	0.4
61.98828	100.0
71.01382	3.3
71.22620	0.7
71.22959	0.5
72.99288	0.5
73.02956	1.4
83.01425	0.6
83.43032	0.4
85.02940	0.7
89.02452	1.7
90.44241	0.4
96.95985	0.5
99.04545	0.4
101.02432	2.6
102.59077	0.4
108.02129	0.5
109.02955	1.4
112.40444	0.5
113.02482	0.5
119.03508	0.5
123.04501	0.8
123.08169	1.3
133.02924	0.4
134.03552	0.4
135.04535	1.9
137.09770	0.7
142.56456	0.4
143.03549	0.5
147.04555	1.4
148.04874	0.5
148.57164	0.4
151.57678	0.4
159.04550	0.8
160.05115	0.7
161.02518	0.6
161.04556	1.1
163.11276	1.2
164.04753	1.1
167.03528	0.5
173.04570	0.7
175.07687	0.5
176.07985	0.5
179.03523	0.7
189.12843	1.9
202.67313	0.4
203.05623	0.6
207.13855	3.3
209.11778	0.8
222.51578	0.5
225.15102	0.8
239.62897	0.5
243.12862	0.4
263.79913	0.5
268.07468	0.5
284.10162	1.4
295.06061	0.7
300.02457	0.8
316.20227	0.4
329.13986	1.0
330.14236	3.7
339.05215	0.8
373.12872	0.4
374.13202	1.1
387.20441	1.5
429.21210	4.5
524.80109	0.4
536.18671	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	536.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.3
62.96401	0.3
70.70727	0.4
70.71073	0.4
72.99293	1.3
78.95900	66.4
96.96957	5.2
109.06610	0.3
117.03489	0.3
123.04512	0.2
125.09700	0.3
133.02971	0.4
135.04524	0.8
145.02950	0.3
150.97987	1.5
152.99577	100.0
153.99950	0.8
161.02446	2.5
162.02753	0.4
163.11301	0.3
164.74815	0.2
165.12750	0.4
167.10753	0.2
171.00624	2.5
193.05005	0.7
194.05429	0.4
195.13910	0.4
203.06882	0.3
209.11766	1.3
229.08704	0.3
247.20583	0.4
277.21860	0.5
281.52844	0.2
291.19659	1.9
292.19910	0.5
295.22812	1.1
309.20779	2.0
310.20901	0.4
390.16278	0.7
411.07489	0.3
431.21896	0.5
449.23053	45.8
450.23386	2.8
536.26251	11.6
537.24689	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	536.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42043	0.2
54.15674	0.2
54.66494	0.2
59.78924	0.2
61.85675	0.2
61.98825	1.3
69.92645	0.8
72.99305	0.2
77.11217	0.2
78.95902	48.7
82.23824	0.2
87.02324	0.2
96.96964	6.0
133.02991	0.3
145.02885	0.2
150.98029	1.6
152.99583	100.0
153.99870	0.6
161.02446	0.5
163.08577	0.2
171.00630	4.2
173.72531	0.2
204.18149	0.2
295.22809	0.7
302.09473	0.2
449.23065	29.8
450.23584	1.6
536.26318	10.3
537.26147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
67.46310	0.4
69.89088	2.3
78.95891	0.8
88.98773	0.8
95.05019	0.6
96.96025	1.1
96.96959	1.3
116.92759	0.5
120.87267	0.5
123.04520	48.8
124.03996	0.5
124.04868	0.8
141.08496	0.5
142.01105	0.5
151.03981	0.9
153.05566	100.0
154.05893	2.8
293.33609	0.4
314.54550	0.5
315.10840	46.4
316.11157	2.2
341.11026	0.6
357.01572	0.5
472.59052	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63224	1.2
57.03445	1.5
59.01363	3.3
61.98826	5.8
66.83698	1.0
69.03444	1.4
71.01346	1.6
71.52237	1.3
72.99304	2.9
73.02950	1.5
78.95901	70.2
81.03452	2.6
83.01379	5.8
83.05018	3.3
87.00863	1.1
95.05002	1.2
96.96960	4.4
97.06576	2.0
104.55598	1.1
111.93472	1.2
113.98969	1.2
121.02941	1.2
123.04536	2.4
123.08134	1.7
125.09743	6.4
127.11255	1.5
133.02957	4.0
135.04489	2.0
139.11255	4.4
149.02357	1.4
150.03244	1.1
150.97957	2.3
151.03969	2.8
151.11334	1.9
152.99579	85.2
153.99905	9.1
161.02441	19.1
163.11278	4.1
165.09169	1.5
165.12849	9.5
166.44225	1.2
167.10750	3.7
171.00607	4.7
179.03407	2.1
181.12373	4.1
187.07576	1.8
191.10748	3.6
193.15919	4.1
207.10222	2.0
209.09921	1.9
209.11827	38.7
209.13811	2.4
245.04265	4.2
247.20618	11.1
257.08200	1.7
258.64227	1.1
265.21667	1.8
273.18600	1.7
273.32468	1.2
291.19653	41.6
292.19855	2.0
293.10257	2.1
309.20697	51.1
310.20978	2.0
333.20578	2.1
391.44116	1.4
449.22949	4.6
450.23419	27.0
451.23859	2.0
528.87146	1.2
537.24725	100.0
538.25049	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	537.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72457	0.5
52.28220	0.6
55.01876	1.1
57.03447	12.0
58.00605	0.8
59.01379	100.0
59.91316	0.5
60.01710	0.5
61.98829	5.3
69.03451	0.7
69.28275	2.1
69.28685	1.5
71.01381	17.3
72.99316	4.2
73.02944	7.0
80.91691	0.6
81.03489	0.6
83.01385	4.0
85.02946	8.1
86.03345	0.6
87.00874	1.5
87.04564	0.5
88.98796	1.1
89.02445	7.0
93.03470	1.2
95.01393	2.3
95.05048	0.5
96.96034	0.8
99.00893	2.6
99.04508	4.3
100.55926	0.5
101.02443	18.3
109.02956	3.0
113.02440	7.9
117.97330	1.2
119.03534	2.2
119.05030	0.9
121.02970	0.6
123.04547	2.1
125.02420	3.1
133.02971	1.9
134.03748	1.0
135.04521	7.2
136.04907	0.5
137.02461	0.5
137.09746	1.0
141.01741	1.4
143.03517	1.8
145.02945	0.8
147.04507	0.5
149.02484	0.6
151.04008	1.6
151.11360	0.6
153.05598	0.8
159.03046	1.3
159.04488	0.8
161.02449	7.2
161.04538	4.2
163.04060	0.6
169.12347	0.9
171.14030	0.6
175.04117	0.6
177.01990	0.8
178.02847	0.9
179.03503	2.9
179.05733	0.7
181.04973	0.7
185.02461	1.9
185.11830	0.5
191.05655	0.7
197.04646	1.7
213.11327	1.0
213.14996	0.5
258.16171	0.6
273.18622	1.1
295.06091	2.4
315.16373	0.5
315.19684	2.1
318.18417	1.1
331.08304	1.8
333.20837	11.7
339.05170	2.1
340.05783	0.6
345.20926	1.4
357.26492	3.0
359.07706	1.2
375.20245	4.5
375.27441	6.6
393.21277	36.6
394.21750	1.8
417.21371	1.1
435.22308	26.9
436.22742	1.6
475.25723	7.8
477.24887	23.2
478.25446	1.2
495.26016	13.5
496.26373	0.8
537.26129	26.8
537.33179	11.8
538.26416	2.3
538.33630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91415	0.5
55.01850	1.3
57.03448	22.6
58.00554	1.0
58.31828	0.6
59.01381	29.7
59.01653	1.5
60.42120	0.5
61.98827	5.6
63.96177	0.6
68.38400	0.5
69.03397	0.7
69.66390	1.3
69.66816	2.3
71.01383	15.2
72.99295	3.0
73.02945	6.2
73.99609	0.5
75.00829	0.8
81.03434	1.0
83.01392	5.2
85.02956	8.9
86.00058	1.2
87.00866	4.1
88.98754	1.9
89.02452	2.5
93.03426	0.8
95.01353	1.3
96.95956	1.7
97.02903	0.8
99.00827	2.3
99.04517	5.3
101.02440	19.7
109.02946	4.2
111.00871	0.9
113.02456	6.2
119.03444	0.7
119.04986	0.9
120.99601	0.5
123.04545	2.6
125.02368	2.0
133.02908	1.2
134.03667	0.8
135.04530	6.3
135.98270	1.1
137.02406	0.9
143.03481	0.9
147.04521	0.7
151.03912	0.7
151.11275	0.8
152.01131	0.8
153.01857	0.8
153.05539	1.3
157.02911	0.7
158.62755	0.5
159.02985	1.0
159.04466	1.1
161.02434	4.9
161.04535	3.2
163.03961	1.0
163.23642	0.5
167.03479	0.7
169.12361	2.8
173.04568	1.2
177.01857	1.2
179.03397	2.2
181.04956	1.3
181.08501	0.5
185.02371	1.2
185.15376	2.1
190.02673	0.8
191.03499	0.5
193.04956	0.6
197.04501	2.2
205.05016	0.9
213.11423	2.6
213.14827	1.5
228.84900	0.6
229.01331	1.3
229.14302	0.5
231.15996	6.1
267.06573	1.5
269.08264	0.9
295.06201	2.7
307.86115	0.5
313.07230	0.7
313.45667	0.6
315.14520	0.6
339.05130	5.5
357.18857	1.1
359.07544	0.9
375.16467	1.0
375.20325	12.2
376.20563	1.0
393.21289	100.0
394.21545	4.5
435.22318	50.0
436.22678	3.7
475.25522	13.8
476.25751	1.0
477.25037	1.1
495.26120	0.7
537.25586	38.6
537.32794	3.1
538.25977	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	537.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62901	2.0
59.01382	4.9
61.98829	16.5
62.21403	1.9
62.55990	1.9
66.34811	2.0
71.52932	3.4
72.99309	2.8
78.95899	9.7
94.93446	2.0
96.95992	2.4
131.99069	2.0
133.02969	17.4
140.01215	2.1
146.19785	1.9
149.02379	2.7
150.03171	3.7
150.67404	2.1
152.99638	11.8
161.02441	58.4
176.57747	2.8
189.91753	2.0
209.11823	2.2
214.04771	4.1
255.20158	2.0
277.21710	100.0
278.21964	5.5
377.50766	2.5
474.26111	41.8
475.26218	3.4
519.26953	3.1
537.34192	7.3
562.12524	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	537.2701
Annotation	Ajubractin D
Peak:m/z	Relative Intensity
51.19340	0.3
55.01877	0.7
55.55018	0.3
57.03450	1.0
58.00586	0.5
59.01379	15.8
61.98824	2.3
69.03453	0.7
70.11919	0.8
71.01380	11.3
72.99306	1.0
73.02944	4.8
78.95921	1.1
81.03445	0.4
83.01376	3.5
83.53709	0.4
85.02944	7.4
86.00116	1.0
87.00877	1.0
88.98789	0.5
94.83047	0.3
95.01392	1.4
97.02958	1.1
99.00887	1.5
99.08119	0.6
101.02438	6.3
107.01419	0.3
109.02977	0.3
113.02441	4.0
121.02885	0.4
124.01647	0.3
125.02467	0.8
129.01959	0.4
133.02948	0.5
135.04498	0.4
143.03508	1.2
151.04065	0.5
152.99612	0.8
161.02461	1.1
171.10277	0.5
179.03555	0.4
193.05034	0.4
197.11842	0.4
245.04352	0.7
247.19974	0.3
271.20654	4.3
289.21716	3.2
307.22916	1.8
309.20721	0.6
311.22366	0.5
312.22531	2.1
315.19537	2.1
317.21216	0.5
333.20688	100.0
334.21060	5.5
345.20786	1.0
347.22125	2.5
375.21686	5.1
387.21796	0.8
403.20999	0.6
405.22763	0.5
417.22644	0.6
447.23557	0.7
448.12842	0.4
477.24911	51.3
478.25278	4.0
495.25961	32.9
496.26392	2.1
519.25958	0.5
537.26959	63.7
538.27307	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	0.1
59.01374	1.1
61.00118	0.1
61.98824	0.7
64.82130	0.1
69.82216	0.6
71.01380	0.7
72.99298	0.2
73.02946	0.6
77.48531	0.1
78.95915	0.6
83.01405	0.2
88.98813	0.3
96.96023	0.1
101.02422	0.4
104.98705	0.1
107.90789	0.1
109.02927	0.1
125.02400	0.1
133.02924	0.3
135.04527	0.5
152.99562	0.5
161.02423	0.5
163.03979	0.1
171.10287	0.1
197.04675	0.1
203.05580	0.2
241.74901	0.1
245.04326	0.4
309.20633	0.2
312.22577	0.1
333.20679	100.0
334.21024	5.3
344.75851	0.2
347.22253	3.9
348.22586	0.1
375.21719	14.2
376.22058	1.0
387.22067	0.1
417.22757	0.3
477.24765	0.3
537.25348	1.1
538.25726	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.1
57.03426	2.4
58.00557	0.8
59.01377	20.2
61.98828	18.5
69.03436	0.6
71.01021	0.8
71.01380	12.0
71.51989	0.8
71.52338	0.8
72.99278	1.7
73.02965	3.3
78.84543	0.7
78.95915	3.2
83.01376	4.8
85.02464	0.9
85.02945	9.1
85.41766	0.6
86.00060	0.9
87.00835	1.1
88.98799	1.3
89.02422	1.3
90.53036	0.6
95.01371	2.3
96.44724	0.6
97.02940	1.1
97.06562	0.8
99.00848	1.4
99.04511	0.8
101.02437	6.5
111.08096	1.0
113.02447	4.2
115.03983	0.6
119.05011	0.8
124.01614	0.7
125.02468	0.6
133.02901	0.9
135.04491	2.2
136.03435	0.7
152.99594	3.4
160.15579	0.6
161.02419	3.1
166.87654	0.6
179.03455	1.5
197.11765	2.9
211.13199	0.8
212.13733	0.7
212.15732	0.7
225.14836	0.7
245.04210	1.5
271.20673	4.8
289.21707	4.2
291.19513	2.3
294.21350	0.6
307.22699	1.7
309.20557	4.7
311.22247	1.3
312.22650	2.2
315.19693	3.3
333.20682	71.5
334.21051	3.7
345.20770	0.9
360.29898	0.7
375.21872	1.0
403.20865	0.9
447.23700	1.0
465.26855	1.8
477.24899	100.0
478.25217	7.7
495.25983	39.0
496.26413	2.9
537.26837	52.3
538.27051	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	537.3277
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01861	0.4
57.03450	1.3
58.00592	1.0
58.93682	0.2
59.01377	19.1
61.98835	1.0
68.01090	0.1
69.03457	0.2
69.19881	1.5
71.01379	9.4
71.30065	0.2
72.64401	0.2
72.99314	1.1
73.02945	1.8
83.01380	1.2
85.02942	3.3
87.00871	0.6
87.04515	0.5
89.02440	6.1
90.15417	0.2
90.83699	0.2
93.03455	0.3
95.01392	0.6
98.20672	0.3
99.00877	0.5
99.04524	0.2
101.02444	5.9
109.02937	0.3
113.02438	3.5
119.03497	1.7
119.04989	0.2
123.04507	0.5
123.08138	0.2
125.02443	0.4
133.02934	0.2
134.03883	0.1
135.04472	0.8
139.11246	0.2
141.09239	0.2
141.12886	0.3
153.09248	0.2
157.12321	0.8
161.02406	0.5
161.04504	0.4
163.03923	0.1
169.12361	0.4
173.04530	0.2
179.03487	0.4
181.05000	0.2
185.11823	1.0
197.04593	0.2
215.12842	1.0
273.18591	0.2
291.19550	0.3
311.21988	0.2
327.25320	1.4
329.23358	1.0
333.20721	2.7
334.21240	0.2
339.05072	0.2
339.25394	1.0
355.24911	0.5
357.06210	0.2
357.26413	13.5
358.26779	0.7
373.25882	0.6
375.27469	13.3
376.27878	0.6
417.28351	0.3
445.21722	0.2
477.24921	2.0
495.25824	1.1
505.17886	0.3
519.31842	1.5
537.32782	100.0
538.33105	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	539.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71042	1.4
59.01154	1.6
59.01381	18.2
60.99277	1.9
61.98829	6.7
71.01376	7.8
71.52296	2.5
72.99306	12.1
79.95702	1.8
83.78553	2.0
87.00862	1.8
88.98811	6.0
89.02429	6.3
93.01313	1.8
93.03458	7.4
96.96011	3.1
101.02427	2.4
107.04990	2.3
108.02136	3.0
109.02947	83.9
110.03282	2.0
111.02122	1.7
114.18131	1.5
115.05491	2.2
116.92886	1.9
117.03481	1.7
117.47783	1.5
119.03602	2.4
119.05025	64.8
121.02945	6.6
123.04503	8.3
124.07689	2.7
129.03456	1.8
133.02985	8.4
134.03725	5.2
135.04523	77.4
136.04813	1.8
137.02431	4.6
143.04984	2.0
145.02907	3.8
147.04512	9.7
153.05579	5.3
157.02959	3.1
159.04529	13.7
161.02440	8.8
161.06076	3.3
163.04013	52.4
164.04388	2.3
164.07205	1.8
173.02415	10.7
173.04543	6.9
175.04002	4.1
179.03484	29.7
181.05055	90.8
184.52930	1.9
185.02426	65.6
185.06071	4.9
186.03226	10.9
191.05605	3.5
193.06668	1.8
197.04422	2.8
198.06776	2.2
203.03456	4.3
205.05028	5.2
209.06041	2.2
211.07668	2.0
212.04816	2.2
213.09248	9.0
215.10687	3.8
222.06856	5.9
223.07661	21.0
224.08124	2.9
225.05551	2.5
225.09196	8.6
226.06375	3.8
227.07048	2.2
231.60982	1.6
239.07184	9.4
240.07660	2.1
241.08704	57.5
242.08998	4.0
243.10234	2.5
249.05412	3.8
250.06410	2.3
251.07123	25.4
253.08705	5.1
257.13080	2.2
267.06598	5.8
269.08197	27.2
277.05060	3.2
278.05069	1.7
280.03711	2.8
285.07773	8.0
287.09238	2.5
293.04724	2.1
295.06107	100.0
296.06583	2.4
313.07193	15.7
331.08286	3.1
333.14459	2.8
339.04929	3.6
341.10605	10.2
357.06146	6.7
377.13406	6.3
433.12857	3.8
524.53589	1.8
539.10864	1.8
539.24182	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	539.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.1
59.01376	11.3
61.98837	2.0
68.99844	0.4
69.03440	0.5
69.35578	2.3
71.01379	4.0
72.99303	1.1
73.02949	1.5
75.33349	0.3
80.96505	0.3
81.03461	1.5
83.01382	0.9
84.28900	0.3
84.75381	0.3
85.02943	3.2
87.00877	1.1
88.98804	0.9
89.02470	0.5
93.03439	0.5
95.01382	2.3
95.04903	0.3
99.00883	0.5
99.04511	0.7
101.02452	2.1
107.45470	0.3
108.02168	41.5
109.02948	34.6
110.03295	0.6
111.04488	0.4
113.02454	1.9
119.05024	0.6
119.08679	0.6
121.02940	0.7
121.06556	0.4
123.00896	2.3
123.04528	1.8
125.02399	0.4
133.02934	0.6
134.03708	0.4
135.04556	2.4
135.08162	0.6
135.11795	0.6
137.02484	0.4
137.09711	4.0
151.03975	0.8
152.01143	54.9
153.01929	21.1
153.05515	1.2
154.02284	0.7
161.02441	2.0
161.04555	1.2
161.05923	0.4
161.09729	0.7
163.03983	1.3
163.07671	1.6
165.01881	0.8
173.04471	0.5
177.01848	0.4
179.03520	1.0
179.10728	1.2
181.05070	0.6
181.08691	2.4
187.07578	0.3
197.04587	0.8
197.11682	0.5
223.09853	0.5
225.03984	0.4
241.10774	0.3
242.31889	0.3
303.16595	0.3
315.07156	3.8
335.22134	0.9
359.07474	0.6
395.21808	0.5
477.17551	2.8
479.15488	3.0
479.26700	0.6
495.18600	3.5
497.27609	0.7
521.16669	0.9
539.17633	100.0
540.17981	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	539.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54983	0.4
57.03449	1.1
59.01377	13.1
61.98822	1.8
69.03458	0.5
69.57264	1.8
71.01376	3.7
72.99306	0.5
73.02952	1.8
76.63839	0.3
80.96513	0.7
81.03458	1.1
83.01389	0.9
85.02942	4.2
87.00874	0.9
88.98791	0.7
93.03438	0.5
95.01370	2.0
97.02974	0.4
99.00880	0.6
99.04514	0.7
101.02449	2.5
107.05032	0.4
108.02170	41.8
109.02950	36.2
110.03220	0.7
113.02428	1.8
119.05014	0.6
119.08657	0.4
121.02943	1.3
123.00877	1.5
123.04534	1.6
133.02940	0.4
134.03746	0.5
135.04539	2.0
135.08147	0.9
135.11829	0.7
137.02408	0.5
137.09717	4.0
141.90208	0.3
145.06383	0.3
151.04004	0.9
152.01144	55.9
153.01939	21.8
153.02934	0.2
153.05573	1.3
154.02333	0.4
161.02448	1.3
161.04543	1.0
161.09760	1.0
163.03984	1.2
163.07617	2.1
165.01921	0.6
177.01868	0.3
179.03415	0.7
179.10765	1.5
181.05046	0.5
181.08731	2.5
193.04936	0.4
197.04608	0.4
197.11847	0.8
203.10666	0.3
206.00430	0.3
223.09717	0.7
275.20193	0.4
307.33240	0.4
315.07181	4.1
335.22232	0.7
339.63867	0.4
395.22040	0.6
477.17401	2.6
479.15552	3.3
479.26736	1.0
495.18826	3.5
495.69592	0.3
497.27457	0.8
510.91324	0.4
521.16473	1.1
539.17645	100.0
540.17950	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	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
59.01377	23.0
61.98829	1.1
70.11803	0.6
70.12210	1.0
71.01379	3.1
73.02944	3.9
73.56213	0.3
79.05521	0.4
83.01376	3.8
83.05020	1.2
85.02951	1.1
87.00871	1.0
89.02450	0.9
93.03458	0.5
94.73367	0.3
95.01394	0.5
95.05042	1.2
97.02966	0.9
98.20516	0.5
99.00852	0.4
99.04520	0.6
101.02441	3.2
107.05025	0.7
109.02962	0.8
109.06613	0.4
113.02462	1.4
116.79978	0.3
118.74982	0.3
119.08665	1.0
121.02981	0.6
121.06607	0.6
122.03746	1.0
123.04519	89.1
124.04819	1.6
125.02464	0.7
125.06100	1.1
133.10229	0.7
135.04526	1.2
135.08180	1.0
137.06056	0.4
137.09727	3.4
141.05608	0.6
149.06070	0.3
149.09662	0.4
153.05568	100.0
154.05934	2.2
161.04533	0.6
161.09726	2.9
163.07646	3.6
165.09207	0.6
175.11206	0.3
177.09175	0.8
179.10785	2.6
181.08699	4.6
195.10236	0.7
195.11952	0.4
197.11836	2.1
203.10773	0.7
205.08704	0.6
215.16003	0.3
223.09756	3.3
224.10271	0.3
229.08717	0.9
241.10812	2.9
244.79997	0.3
245.00568	0.3
247.09789	1.2
265.10715	1.9
283.11942	0.7
289.10870	0.6
307.11819	0.9
315.10938	2.3
325.12875	1.2
326.35980	0.4
371.48001	0.4
385.15027	5.5
479.19177	1.0
479.26535	1.6
493.78439	0.4
497.27448	1.6
521.20062	1.0
539.21301	73.1
540.21613	5.9
540.29303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	2.3
63.96237	1.0
70.30925	2.2
71.01378	6.8
73.02937	1.3
76.35313	0.5
78.98583	5.0
79.95731	8.9
80.96513	54.8
85.02946	2.4
87.00873	2.6
90.13739	0.6
94.98087	12.1
96.96000	1.4
97.02965	1.3
98.20580	0.9
101.02430	2.6
106.98085	3.2
113.02470	0.8
122.97573	4.1
125.02415	2.6
127.03930	1.0
134.97583	4.6
136.99100	1.1
148.99136	5.4
152.98581	5.4
156.34161	0.7
161.02507	0.8
164.98622	9.8
182.99701	1.7
206.99646	2.3
225.00723	15.3
239.20142	1.7
243.01765	0.6
299.04367	2.5
386.47897	0.6
539.25287	100.0
540.25690	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	539.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77608	0.6
57.03422	2.5
59.01384	5.0
61.98825	3.2
66.53039	0.6
71.01358	0.7
71.52158	0.8
72.99309	0.8
76.64168	0.7
78.95898	18.4
83.05004	1.3
85.02911	0.8
96.96960	1.4
97.06587	0.9
99.08165	2.3
99.13013	0.8
100.21707	0.7
111.08173	1.1
113.09710	1.7
121.10232	0.8
123.04543	1.0
123.08143	0.8
125.09711	1.3
129.09230	3.6
130.72401	0.6
133.02971	1.3
135.04482	1.4
139.11278	2.5
143.98750	0.6
151.11238	0.8
152.99577	19.4
161.02417	3.3
163.11333	0.9
164.68721	0.6
165.12885	1.5
166.03716	0.6
167.10889	0.8
169.12271	2.0
171.00584	3.1
171.10275	9.6
181.12291	3.3
183.13829	2.3
187.07579	0.7
193.12344	4.1
197.11826	7.7
199.13351	3.6
208.49522	0.7
209.11803	1.4
211.13368	14.4
212.13617	0.7
227.03160	1.8
245.04239	3.8
249.22099	0.7
269.07742	0.7
275.16040	0.7
275.20197	1.4
293.21222	18.4
294.21594	0.8
310.03885	0.6
311.22253	78.3
312.22592	3.4
317.21255	1.0
335.22293	0.8
496.18576	0.7
521.31000	1.6
539.26190	100.0
540.26593	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	539.2624
Annotation	CHEBI:68153
Peak:m/z	Relative Intensity
51.77608	0.6
57.03422	2.5
59.01384	5.0
61.98825	3.2
66.53039	0.6
71.01358	0.7
71.52158	0.8
72.99309	0.8
76.64168	0.7
78.95898	18.4
83.05004	1.3
85.02911	0.8
96.96960	1.4
97.06587	0.9
99.08165	2.3
99.13013	0.8
100.21707	0.7
111.08173	1.1
113.09710	1.7
121.10232	0.8
123.04543	1.0
123.08143	0.8
125.09711	1.3
129.09230	3.6
130.72401	0.6
133.02971	1.3
135.04482	1.4
139.11278	2.5
143.98750	0.6
151.11238	0.8
152.99577	19.4
161.02417	3.3
163.11333	0.9
164.68721	0.6
165.12885	1.5
166.03716	0.6
167.10889	0.8
169.12271	2.0
171.00584	3.1
171.10275	9.6
181.12291	3.3
183.13829	2.3
187.07579	0.7
193.12344	4.1
197.11826	7.7
199.13351	3.6
208.49522	0.7
209.11803	1.4
211.13368	14.4
212.13617	0.7
227.03160	1.8
245.04239	3.8
249.22099	0.7
269.07742	0.7
275.16040	0.7
275.20197	1.4
293.21222	18.4
294.21594	0.8
310.03885	0.6
311.22253	78.3
312.22592	3.4
317.21255	1.0
335.22293	0.8
496.18576	0.7
521.31000	1.6
539.26190	100.0
540.26593	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	539.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94688	2.0
55.95249	2.0
61.98821	20.1
62.12719	2.1
70.68034	2.1
78.95919	6.0
79.95715	3.6
80.96526	12.3
98.19901	7.5
116.23438	2.1
140.01218	2.3
164.98550	2.8
185.69615	2.4
214.04922	3.9
225.00647	3.1
279.23270	100.0
280.23645	4.2
476.27777	40.3
483.02936	2.3
539.25323	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	21.7
63.96647	2.6
65.02323	2.9
69.92583	11.0
74.36502	3.3
78.95904	25.5
86.68027	2.9
111.56620	3.1
140.01143	6.5
152.99622	5.1
196.03783	9.0
279.23288	100.0
280.23648	3.4
312.39127	2.9
476.27820	68.1
477.27792	4.7
539.26788	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	539.2861
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
55.01877	0.2
57.03449	0.6
57.20216	0.2
59.01379	100.0
60.01706	0.6
61.98829	2.2
67.01913	0.3
69.21870	1.9
71.01382	3.4
72.95039	0.2
72.99300	0.4
73.02943	1.0
75.23679	0.2
78.95882	0.3
83.01409	0.6
85.02963	1.8
87.00887	0.6
88.98831	0.5
89.02455	0.5
93.03455	0.3
95.01372	0.4
96.96047	0.5
98.19855	0.4
99.00895	0.3
99.04526	0.3
101.02439	2.3
107.05124	0.2
109.02956	0.4
113.02425	1.2
119.04999	0.4
123.04527	4.7
125.02427	0.2
133.02968	0.5
134.03746	0.2
135.04509	1.4
137.02458	0.3
138.20526	0.2
143.03528	0.4
147.04468	0.3
151.04028	0.4
153.05571	6.0
153.06725	0.4
159.03049	0.2
161.02478	0.8
161.04578	1.6
163.04030	0.3
173.04593	0.8
179.03511	0.4
181.05086	0.3
184.10655	0.2
188.17097	0.2
211.13376	1.3
303.19772	0.2
305.21222	2.9
315.10941	0.6
317.17722	0.6
317.21423	0.3
331.19019	0.2
333.20938	0.4
335.22278	2.7
359.18604	0.4
377.28217	0.5
413.23627	0.3
449.25635	0.3
457.18674	0.2
479.26498	6.5
479.33176	0.4
480.26859	0.4
497.27643	2.2
539.21271	1.7
539.28851	3.4
553.03723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03443	1.1
58.00597	0.6
59.01379	100.0
60.01722	0.5
61.98828	1.8
69.03463	0.4
70.36538	0.3
70.36898	0.5
71.01381	15.4
72.99302	1.3
73.02950	5.6
75.00863	0.5
77.72702	0.2
80.96498	0.3
81.03451	0.3
83.01381	2.9
85.02951	6.0
87.00884	1.0
87.29697	0.2
88.98844	0.3
89.02445	5.7
93.03484	0.3
95.01388	1.2
97.02975	0.5
99.00874	1.8
99.04517	0.3
101.02440	11.5
102.02788	0.2
102.98598	0.5
108.02195	1.2
109.02950	7.3
111.00887	0.5
113.02450	5.7
115.04011	0.2
119.03487	2.1
119.05060	0.8
120.99670	0.2
123.04542	0.8
125.02468	0.9
129.71086	0.2
131.03471	0.3
133.02937	0.2
134.03757	0.2
135.04521	1.9
136.16829	0.2
137.02473	0.2
143.03525	1.1
149.04626	0.3
151.04056	0.3
151.45255	0.2
152.01166	1.2
153.01933	8.2
153.05577	0.6
154.02292	0.2
159.03044	1.0
161.02568	0.9
161.04550	4.3
163.04041	0.6
173.04591	0.3
177.01913	0.6
179.03517	0.6
179.05753	0.9
181.05051	0.4
181.08717	0.5
184.92812	0.2
191.05675	0.3
193.04930	0.2
197.04518	0.3
203.05684	0.3
223.09814	0.3
230.55594	0.2
241.08716	0.3
251.06990	0.2
269.08279	0.3
275.20352	0.2
291.12213	0.2
295.06146	0.3
303.19461	0.3
317.21194	0.4
326.74619	0.2
333.20996	0.3
335.22214	4.8
336.22638	0.2
347.22128	0.9
359.07825	0.4
377.09195	0.2
377.23468	1.0
379.21036	0.2
385.14957	0.9
461.25522	0.6
464.66174	0.2
476.22510	0.3
479.26501	11.4
480.27042	0.5
497.27557	21.3
498.27960	1.4
539.17627	3.5
539.28961	1.9
540.17456	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03448	0.9
58.00592	0.5
59.01376	100.0
60.01717	0.5
61.98832	2.0
71.01379	13.6
71.52080	0.2
71.52473	0.3
72.99297	0.9
73.02944	5.0
75.00865	0.4
79.55748	0.2
80.96524	0.7
81.03447	0.3
83.01390	2.4
85.02947	5.3
87.00881	1.0
88.98814	0.6
89.02444	4.5
95.01405	1.5
97.02975	0.3
99.00880	1.5
99.04502	0.4
101.02435	10.6
102.98616	0.5
107.38621	0.2
108.02171	0.7
109.02943	3.9
111.00870	0.6
112.65675	0.2
113.02447	5.7
119.03502	2.0
119.05074	0.3
120.99630	0.2
123.04524	0.6
125.02451	1.0
129.01964	0.4
131.03511	0.5
134.03766	0.2
135.04536	1.0
137.02518	0.3
143.03519	0.9
147.71358	0.2
149.04655	0.4
152.01181	0.7
153.01932	3.7
153.05609	0.5
159.02982	0.8
161.02420	0.3
161.04523	3.6
167.03549	0.3
173.04637	0.4
177.01918	0.6
179.03453	0.3
179.05627	0.9
181.05049	0.4
191.05652	0.3
193.05089	0.4
195.06572	0.2
203.05475	0.4
225.00888	0.3
241.08839	0.3
291.12387	0.4
295.06354	0.3
315.19763	0.4
317.21216	0.4
333.20944	0.5
335.22260	3.9
347.22275	0.7
377.23465	0.9
379.21426	0.4
385.15179	0.3
461.25577	1.1
476.22321	0.5
479.26480	11.3
480.27161	0.5
497.27542	19.4
498.28058	1.3
523.25781	0.7
539.17694	3.1
539.28278	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	539.2861
Annotation	Forskoditerpenoside E
Peak:m/z	Relative Intensity
55.01877	0.2
57.03449	0.6
57.20216	0.2
59.01379	100.0
60.01706	0.6
61.98829	2.2
67.01913	0.3
69.21870	1.9
71.01382	3.4
72.95039	0.2
72.99300	0.4
73.02943	1.0
75.23679	0.2
78.95882	0.3
83.01409	0.6
85.02963	1.8
87.00887	0.6
88.98831	0.5
89.02455	0.5
93.03455	0.3
95.01372	0.4
96.96047	0.5
98.19855	0.4
99.00895	0.3
99.04526	0.3
101.02439	2.3
107.05124	0.2
109.02956	0.4
113.02425	1.2
119.04999	0.4
123.04527	4.7
125.02427	0.2
133.02968	0.5
134.03746	0.2
135.04509	1.4
137.02458	0.3
138.20526	0.2
143.03528	0.4
147.04468	0.3
151.04028	0.4
153.05571	6.0
153.06725	0.4
159.03049	0.2
161.02478	0.8
161.04578	1.6
163.04030	0.3
173.04593	0.8
179.03511	0.4
181.05086	0.3
184.10655	0.2
188.17097	0.2
211.13376	1.3
303.19772	0.2
305.21222	2.9
315.10941	0.6
317.17722	0.6
317.21423	0.3
331.19019	0.2
333.20938	0.4
335.22278	2.7
359.18604	0.4
377.28217	0.5
413.23627	0.3
449.25635	0.3
457.18674	0.2
479.26498	6.5
479.33176	0.4
480.26859	0.4
497.27643	2.2
539.21271	1.7
539.28851	3.4
553.03723	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04481	0.2
55.01870	0.7
57.03449	1.4
58.00599	0.6
59.01379	100.0
60.01711	0.5
61.98835	2.4
69.03462	0.3
69.85794	0.2
70.35461	0.2
70.35800	0.4
71.01380	12.9
72.99314	1.5
73.02946	4.6
73.03355	0.2
75.00877	0.2
78.98613	0.2
79.95734	0.2
80.96510	1.0
81.03481	0.2
82.95419	0.3
83.01389	2.9
85.02947	6.1
87.00853	0.9
88.98816	0.5
89.02447	4.0
93.03444	0.3
94.98058	0.3
95.01377	1.2
95.05043	0.2
96.96072	0.2
97.02943	0.4
99.00877	1.7
99.04523	0.3
101.02441	10.7
108.02159	0.8
109.02950	6.9
111.00872	0.4
111.04552	0.2
113.02450	5.4
119.03517	1.5
119.05031	0.3
121.06622	0.3
123.04514	4.4
125.02454	0.6
125.05991	0.2
131.03513	0.2
133.02968	0.5
134.03790	0.5
135.04507	2.3
136.04884	0.3
137.02467	0.2
137.09775	0.4
141.01740	0.4
143.03494	1.2
145.36040	0.2
148.99199	0.2
149.02420	0.2
149.04684	0.2
149.06070	0.4
151.04007	0.3
152.01208	0.7
153.01933	8.0
153.05573	6.3
154.06012	0.2
159.03021	0.7
161.02525	1.7
161.04547	4.3
161.09685	0.3
163.03986	0.4
163.07736	0.3
164.98633	0.3
165.09242	0.2
167.07358	0.2
172.94194	0.2
173.04607	0.6
178.02754	0.3
179.03476	1.0
179.05710	0.5
181.05093	0.4
181.08749	0.5
193.05064	0.9
197.04501	0.9
197.11884	0.2
203.05673	0.2
205.05272	0.2
223.09866	0.4
225.00845	0.4
241.08751	0.2
241.11028	0.3
269.08200	0.2
275.20282	0.7
283.11996	0.2
315.19730	0.2
317.21268	0.6
333.20822	0.7
335.22269	7.7
336.22391	0.2
341.06464	0.2
347.22223	0.5
359.07837	0.4
377.08997	0.5
377.23431	0.6
379.21234	0.3
385.15240	0.7
431.24829	0.2
461.25656	0.4
476.22192	0.4
478.84943	0.2
479.26477	12.6
480.27054	0.8
497.27551	16.8
498.27798	0.9
539.19208	4.3
539.29028	2.4
540.19385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75422	0.2
53.17759	0.2
54.26179	0.2
55.01866	0.2
56.06004	0.2
57.03436	0.4
59.01378	10.9
61.98830	1.0
63.48446	0.2
69.53125	1.0
71.01379	2.9
72.99299	0.6
73.02943	2.3
75.00896	0.2
79.95724	0.2
80.96507	1.2
83.01398	0.7
85.02949	0.7
87.00858	0.3
88.98808	0.6
89.02448	1.0
93.03430	0.2
94.98075	0.3
95.01431	0.2
96.95982	0.2
98.20692	0.3
99.04484	0.3
101.02462	2.1
109.02956	0.2
113.02470	1.1
119.03480	0.5
119.05041	0.2
121.97257	0.2
123.04479	0.3
125.02419	0.4
133.02928	0.3
135.04517	0.9
143.03467	0.2
159.04465	0.2
161.02423	1.0
161.04520	0.6
168.00560	0.2
173.04567	0.8
179.03506	0.3
181.05049	0.2
197.04579	0.2
211.13362	0.2
225.00720	0.4
335.22244	100.0
336.22620	4.9
349.23929	0.4
377.23419	0.5
479.26443	2.3
479.33963	0.2
479.35550	0.2
497.27539	1.6
514.82813	0.2
539.21332	2.1
539.28821	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	541.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72241	0.5
57.03438	1.0
59.01380	5.6
61.98821	2.1
63.96225	1.3
69.03461	0.6
71.01381	7.2
71.52177	0.4
71.52525	0.5
72.99281	0.8
73.02938	1.8
78.98589	3.9
79.95737	7.1
80.96513	53.1
81.03442	0.6
83.01405	0.5
85.02948	2.0
87.00870	2.3
89.02441	0.8
93.03433	0.7
94.98081	13.3
96.95995	2.2
97.02930	1.5
99.00843	0.8
101.02425	3.3
106.98085	2.4
109.02882	0.6
109.06611	0.5
113.02451	1.0
122.97612	4.9
123.04543	0.6
125.02458	2.8
128.01796	0.6
129.73053	0.4
134.97577	4.1
135.04509	1.0
136.99173	0.8
141.00188	0.8
142.24861	0.4
146.08247	0.8
146.97568	0.5
148.99132	5.3
152.06902	0.4
152.98618	5.8
153.01984	0.4
161.09760	0.5
164.97592	0.4
164.98618	11.0
173.04611	0.5
179.03468	0.6
179.10709	0.7
182.99731	2.3
188.98676	0.5
197.11830	7.5
206.99632	2.9
209.11795	1.0
221.09125	0.5
222.20032	0.4
223.22649	0.4
225.00722	21.3
225.11421	0.5
226.01117	0.4
238.98125	0.4
241.10803	1.4
243.01691	1.2
275.10709	0.5
299.04562	2.1
309.09418	0.9
313.71567	0.4
315.14490	1.9
362.61264	0.5
376.48996	0.4
397.16705	0.8
434.42538	0.5
453.08496	0.7
541.15912	100.0
542.16235	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	541.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92893	0.4
57.03442	0.4
59.01112	0.6
59.01379	8.8
69.34837	1.7
69.35254	1.2
71.01373	1.7
73.02934	1.4
79.94253	0.4
81.03449	0.8
83.01370	1.4
85.02945	2.3
92.12308	0.4
93.03395	0.5
95.01385	1.5
95.93139	0.4
101.02433	1.2
108.02171	42.8
109.02952	34.0
109.03594	0.6
110.03207	0.5
113.02484	0.5
121.02930	0.7
123.00874	1.7
123.04513	1.3
128.21416	0.4
135.04494	0.8
135.25807	0.4
139.11284	5.0
152.01146	51.9
153.01938	19.5
154.02293	0.6
163.04019	0.7
163.11287	0.8
165.09193	0.6
179.10796	0.7
181.12306	1.9
183.10242	6.2
193.04971	0.8
215.43950	0.5
225.11383	2.0
243.12387	1.1
479.19214	2.5
481.17172	3.8
497.20135	4.3
523.18115	1.6
541.19238	100.0
542.19568	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	541.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
56.46404	0.3
57.03440	1.9
58.00589	0.7
59.01377	16.4
61.98826	0.7
69.03455	0.8
69.16117	0.8
69.16533	2.0
71.01379	3.7
72.99309	0.6
73.02942	7.7
75.00876	0.3
75.93273	0.3
76.24583	0.3
81.03459	0.4
83.01381	7.9
83.05012	0.3
85.02951	1.2
87.04505	1.6
89.02444	0.5
93.03457	0.8
95.01399	0.5
95.05024	1.8
97.02961	0.5
98.54356	0.3
99.00903	0.7
99.04490	0.6
101.02435	3.9
109.02949	0.4
109.06573	1.1
111.04496	0.3
111.08171	0.3
113.02457	1.1
113.06102	0.4
122.03714	1.0
123.04519	98.7
124.04840	2.1
125.02494	0.5
125.06075	0.4
127.07658	0.6
135.04477	0.4
135.08167	0.4
137.02328	0.3
137.06071	0.4
137.09700	0.4
139.07628	0.7
139.11287	9.6
141.12810	0.3
151.03931	0.3
151.11263	1.1
152.04742	0.3
153.05566	100.0
154.05901	2.6
163.11302	0.7
165.09221	0.7
167.10750	0.6
169.12318	2.9
176.37257	0.2
179.10757	2.3
181.12350	3.9
183.10249	11.7
195.13927	0.3
197.11818	1.7
199.11719	0.3
199.13263	1.4
205.12239	0.3
207.10283	0.5
225.11302	11.0
226.11774	0.4
231.10193	0.7
235.13480	0.3
239.12869	0.7
243.12378	8.2
249.11311	2.0
263.12784	0.5
267.12433	1.5
285.13409	1.3
291.12442	1.4
309.13486	0.6
327.14532	1.9
369.15335	0.3
387.16580	7.4
388.16882	0.5
424.04492	0.3
481.20596	2.1
481.27917	0.7
499.29224	0.8
523.21991	1.7
541.22864	74.4
542.23157	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	541.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	52.7
61.98819	3.7
69.15005	12.0
69.15413	4.5
71.01383	28.6
71.04987	1.6
72.99290	2.2
73.02944	26.2
77.04072	1.7
78.95878	1.9
80.64016	1.7
83.01388	8.8
85.02926	4.9
87.00861	2.9
89.02451	7.2
101.02436	23.8
113.02451	6.7
115.13135	1.7
133.02934	5.8
135.04491	1.8
149.02409	2.7
161.02444	23.4
161.04535	4.3
179.03493	3.0
181.04973	2.0
193.05032	25.8
227.46750	1.6
267.06558	5.5
271.03931	1.6
275.20129	13.7
287.16498	1.6
293.21243	12.8
305.17511	2.7
311.05530	5.0
346.83118	1.7
350.28741	1.7
373.73883	1.8
437.25281	7.1
455.26569	12.9
497.27560	100.0
498.27899	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	541.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09118	0.3
55.19083	0.4
57.03433	0.4
59.01379	0.7
63.39300	0.4
63.96243	1.2
69.03448	0.5
69.18723	1.6
69.19145	2.2
71.01381	5.7
73.02940	1.4
78.98587	4.9
79.60503	0.4
79.95728	7.5
80.96515	54.0
81.03447	1.0
85.02951	2.4
87.00873	1.9
94.98081	13.5
96.95981	0.7
97.02943	1.3
101.02438	2.7
106.98061	2.9
113.02438	0.7
122.97582	3.7
125.02445	3.1
127.04056	0.8
134.97585	3.7
136.99150	1.1
148.99130	4.8
152.98598	5.8
152.99539	0.4
159.33672	0.4
164.98634	9.7
167.00256	0.6
179.00327	0.4
182.99635	1.7
206.99687	2.9
225.00726	17.1
241.21677	3.3
243.01802	1.0
245.04219	0.7
267.23260	0.7
299.04407	2.7
369.67380	0.5
476.17572	0.4
481.26038	0.6
541.26855	100.0
542.27142	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	541.3019
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
53.95788	0.3
55.01883	0.5
57.03445	1.4
59.01378	100.0
60.01725	0.5
61.98822	1.3
67.01910	0.5
69.03453	0.8
71.01385	7.7
72.99324	1.0
73.02950	3.9
75.00882	0.5
81.03493	0.4
83.01391	1.3
83.05038	0.5
85.02950	4.4
86.00126	0.6
87.00877	21.5
87.04515	1.8
89.02474	0.8
95.01398	0.9
95.05037	0.3
97.02988	0.9
99.00901	1.3
99.04536	0.8
101.02441	5.6
109.03017	0.4
111.00918	1.2
111.04595	0.3
113.02444	2.9
113.06068	0.4
115.16953	0.3
121.93988	0.3
125.02438	0.5
125.09701	0.4
129.01955	1.0
133.02896	0.3
135.04582	0.7
141.01941	0.6
143.03467	0.4
149.06125	0.3
159.03009	1.0
161.02444	0.8
161.04538	1.7
171.10309	0.4
179.03499	0.3
184.66656	0.3
197.11868	1.1
207.59924	0.3
225.11366	0.8
235.17134	0.4
239.44211	0.3
251.28758	0.3
287.16516	0.5
305.17648	0.6
309.24619	0.9
311.27347	0.3
319.22879	0.8
321.24570	0.9
337.23795	2.4
361.24033	1.0
363.25198	2.0
375.25696	1.0
379.24994	0.7
391.25232	0.8
393.26492	1.5
409.25888	4.1
451.27057	3.5
452.27673	0.3
481.28049	23.6
482.28363	2.0
499.29089	4.0
500.29422	0.4
523.24969	0.8
541.30743	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	541.3013
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
55.01868	0.6
57.03450	2.1
58.00596	0.4
59.01378	100.0
59.08042	0.3
60.01702	0.4
61.98830	1.3
71.01378	11.2
71.52207	0.4
72.99317	0.9
73.02946	3.6
76.74703	0.3
83.01373	1.9
83.05023	0.3
85.02946	5.2
87.00888	1.1
88.99361	0.3
89.02438	4.5
95.01411	1.3
96.96030	0.6
97.06596	0.6
99.00854	1.6
99.04543	1.0
100.94306	0.3
101.02437	8.3
102.05618	0.6
103.00352	0.4
104.37440	0.3
109.06591	0.4
111.00890	0.4
113.02448	5.2
113.03178	0.5
119.03511	1.6
119.05015	0.6
125.02490	1.1
128.03572	1.1
131.03528	0.3
133.03000	0.4
143.03505	1.2
152.09015	0.3
161.02419	0.6
161.04550	3.2
171.10347	0.5
179.03546	0.5
179.05612	0.5
183.75266	0.4
186.52148	0.4
187.07594	0.4
197.11848	0.9
201.11247	0.4
227.48416	0.4
283.11877	0.5
301.21860	1.2
337.24008	1.1
349.23914	1.0
379.24969	1.1
381.61746	0.4
433.26144	0.5
481.28024	22.5
482.28339	1.8
499.21661	0.4
499.29099	11.2
500.29749	0.8
523.24762	0.8
541.30420	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	541.3017
Annotation	Tricalysioside R
Peak:m/z	Relative Intensity
51.63638	0.5
55.01875	1.5
57.03448	1.6
58.00583	0.9
59.01378	100.0
60.43182	0.5
61.98834	2.2
65.62185	0.6
70.58571	1.6
71.01380	22.2
72.99321	1.6
73.02948	5.4
75.81872	0.5
78.95905	1.1
83.01390	2.9
85.02948	8.7
87.00906	0.9
89.02441	10.1
95.01408	1.9
99.00883	1.3
101.02438	19.0
101.03106	1.0
103.66469	0.6
113.02439	10.2
119.03501	4.0
125.02490	0.7
125.09734	0.5
135.04477	0.8
137.02530	0.6
139.51826	0.5
143.03549	2.0
152.99579	0.8
159.03065	1.2
161.02461	1.9
161.04552	13.2
177.09235	0.6
179.05663	2.1
225.11424	0.6
305.17740	0.8
319.22668	2.6
395.40680	0.5
481.28009	63.3
482.28360	4.3
499.29404	0.9
541.30444	9.0
542.30743	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
57.03444	1.2
58.00596	0.5
59.01379	100.0
60.01710	0.6
61.98843	0.8
64.22138	0.2
69.03453	0.4
69.46936	1.4
71.01381	11.4
71.19195	0.2
72.99303	1.0
73.02942	4.0
75.00897	0.4
83.01384	1.6
83.05040	0.4
85.02954	5.1
87.00867	1.2
89.01912	0.2
89.02442	4.6
95.01381	1.1
97.02969	0.4
97.06635	0.4
99.00867	1.3
99.04549	0.4
101.02444	9.0
102.05632	0.4
103.00382	0.2
111.00892	0.5
113.02447	4.7
119.03508	1.6
119.04962	0.2
123.04523	0.2
125.02470	0.7
125.09738	0.3
128.03560	0.7
129.01961	0.2
135.04543	0.3
135.08133	0.3
137.09738	0.3
143.03528	0.9
146.04596	0.2
159.02980	0.5
161.02473	0.7
161.04536	3.3
171.10220	0.4
173.04523	0.3
179.03557	0.2
179.05655	0.7
197.11887	0.4
207.10249	0.3
217.08847	0.2
225.11279	0.4
234.42915	0.2
277.21786	0.2
283.11880	0.3
287.16769	0.4
301.21780	1.1
305.17651	0.4
319.22903	0.6
321.24442	0.3
337.23959	0.8
349.23810	1.0
379.24979	1.3
433.26309	0.6
481.28030	24.0
482.28531	1.7
499.29099	12.2
499.36563	0.3
500.29684	0.7
523.25458	0.4
525.27167	0.3
541.30231	5.0
542.30292	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34666	0.2
59.01363	0.6
60.99304	14.0
61.98804	0.2
66.68011	0.2
78.95903	2.1
80.96515	0.9
86.04522	0.2
87.00862	0.4
88.00394	1.5
88.98802	100.0
89.02440	4.6
89.99120	0.5
91.26224	0.2
91.99043	0.2
94.98109	0.2
96.96934	0.4
97.02962	0.5
97.34599	0.2
98.20638	0.6
109.02972	0.2
109.06605	0.2
117.82985	0.2
152.99582	2.3
163.11246	0.3
164.98615	0.2
168.08484	0.2
181.12311	1.0
197.11989	0.2
207.10240	2.3
209.11578	0.2
222.99931	0.2
223.71419	0.2
225.11314	3.5
241.01193	0.7
315.04779	0.4
541.16589	7.2
541.24896	0.4
542.17102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
57.39354	0.5
59.01369	2.1
61.98826	4.0
63.96225	1.1
70.99905	0.9
71.01381	5.8
73.02940	1.9
78.95901	1.0
78.98593	4.8
79.95731	7.6
80.96515	49.1
81.03464	0.8
83.01384	0.6
85.02947	2.7
87.00868	1.9
92.33208	0.5
94.98080	12.2
95.01362	0.6
96.22379	0.5
96.95990	2.4
97.02953	1.4
99.00897	1.0
99.04507	1.1
101.02455	2.9
106.08485	0.5
106.98096	2.4
112.18253	0.6
113.02407	0.5
116.92822	1.6
122.97595	4.4
125.02421	3.2
127.03967	0.8
134.97610	4.1
134.98482	0.7
135.04556	0.6
136.99127	0.8
148.99124	4.8
152.98593	5.6
152.99599	0.9
155.93785	0.5
161.04462	1.2
164.98622	10.1
171.10287	0.5
181.12233	0.8
182.99596	1.4
199.11710	0.5
199.13379	1.0
206.99649	2.1
207.10254	1.2
209.11804	2.1
219.10149	0.6
225.00735	18.4
225.11285	2.3
243.01767	0.8
243.12360	1.4
263.07495	0.6
299.04379	2.7
317.15939	0.8
345.31482	0.5
359.40094	0.5
399.16690	0.6
484.31927	0.7
497.17123	0.7
525.16522	3.9
543.17474	100.0
544.17963	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	543.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79690	0.6
57.03446	1.8
59.01379	6.1
61.98833	10.0
62.55085	0.6
71.01380	6.4
71.51140	1.1
72.99314	1.9
73.02929	1.9
73.81055	0.6
78.95895	2.7
78.98602	3.4
79.95733	7.4
80.96519	45.0
81.03444	0.7
83.05024	0.8
85.02946	2.4
87.00879	2.4
89.02449	1.3
94.98095	11.6
96.96005	7.2
96.96975	1.0
97.02966	1.1
99.04498	1.6
101.02466	3.7
106.98080	2.3
113.02507	1.2
116.92871	3.3
118.98104	0.8
122.97577	3.3
123.04580	1.1
125.02445	2.8
127.04031	0.9
134.97578	3.7
135.04501	2.8
136.99118	0.9
145.03003	0.7
145.49713	0.7
148.99150	4.6
152.98521	4.3
152.99606	2.3
161.02460	2.1
161.04515	0.9
164.98627	10.5
173.04581	1.0
175.11272	0.8
179.03381	1.0
199.13356	0.8
206.99701	2.3
207.10204	1.1
209.11844	4.7
219.10263	0.9
225.00755	18.1
225.11302	1.9
241.01050	1.2
243.01732	0.7
243.12430	0.9
248.76477	0.7
266.93628	0.8
299.04489	1.9
359.01489	0.8
471.15283	1.3
483.25800	0.8
509.69687	0.7
525.16510	2.2
543.17505	100.0
544.17749	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	543.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90589	0.6
55.01859	0.7
55.89575	0.5
57.03445	25.9
58.00574	0.8
59.01376	32.5
61.98819	5.2
69.03405	0.7
71.01378	19.8
72.99304	0.6
73.02941	16.7
77.75317	0.6
79.05540	0.9
80.96500	0.7
81.03453	1.2
83.01380	4.0
83.05024	3.0
85.02950	2.8
87.00878	1.1
89.02439	14.8
91.05490	0.8
93.03436	1.0
93.07073	2.1
95.01352	1.2
97.06587	1.0
98.19803	0.5
99.04515	20.3
101.02432	21.7
109.06622	0.8
113.02439	7.9
113.06071	1.7
119.03479	5.2
119.04993	1.2
123.04536	6.1
123.08143	0.6
125.02441	7.9
131.03482	1.1
133.10213	4.2
135.04556	0.7
141.05577	2.0
143.03484	2.6
145.06563	3.1
149.03511	0.6
149.04568	1.1
153.05554	1.6
155.29718	0.7
157.10202	1.5
159.08154	3.5
160.08925	33.2
161.02478	1.1
161.04541	30.0
173.04503	1.8
173.09683	6.9
175.11264	56.9
176.11583	1.6
179.05605	9.3
203.05591	1.1
219.10240	32.1
220.10530	1.7
221.06407	0.9
229.76151	0.7
233.06639	2.5
263.07697	11.3
323.09802	17.4
399.16556	22.6
400.16721	1.3
441.17627	7.1
481.20721	2.5
543.20782	100.0
544.21191	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	543.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	40.6
61.98832	4.3
64.69937	1.4
65.48974	1.3
69.51885	8.7
71.01375	22.3
72.99290	2.6
73.02945	15.6
77.37301	1.4
79.95733	2.1
83.01385	2.9
85.02949	5.1
87.00865	4.0
89.02437	6.6
99.00890	1.6
101.02437	15.7
113.02412	6.9
119.03592	1.5
124.00795	1.6
144.75699	1.4
145.02863	1.3
150.30975	1.3
161.02396	2.7
173.04489	2.0
204.99174	1.4
209.11848	3.2
221.08176	1.4
223.17128	2.5
223.48885	1.6
227.12894	2.1
273.61176	1.6
277.21704	12.1
295.19785	1.4
295.22858	6.9
439.26984	10.3
457.28110	19.9
499.29099	100.0
500.29547	6.6
525.16602	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	543.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10619	1.3
55.01865	1.5
57.03205	1.5
57.03448	20.5
59.01377	33.4
61.98833	13.0
69.03452	9.0
69.60929	1.5
69.61269	8.7
71.01370	7.9
71.05003	4.4
72.99300	3.0
73.02943	3.2
78.95910	2.1
79.95756	1.4
82.95419	2.2
83.01379	2.4
83.05025	4.7
85.02904	1.9
87.00872	4.0
89.02425	4.4
93.03436	4.5
95.04990	1.4
96.95999	4.0
97.02938	4.7
97.06560	3.8
98.20622	2.7
99.00877	11.0
99.04520	20.1
101.02446	9.7
109.02910	2.0
109.06599	2.8
111.35074	1.2
113.02440	3.1
119.03508	2.2
119.05036	2.0
119.08678	2.0
123.04528	1.3
123.08145	4.0
125.02421	6.8
125.09735	10.6
127.11270	4.9
132.63301	1.2
133.02959	3.1
135.04512	3.7
137.09708	2.4
145.02919	1.9
149.02487	1.6
151.11232	5.5
155.10699	2.4
159.04510	1.6
161.02423	7.3
161.09747	7.6
163.11255	6.7
165.12924	1.8
171.10202	4.2
172.85110	1.4
173.04549	14.5
178.02696	1.6
179.03429	1.8
179.10785	28.7
181.12364	9.4
191.05464	1.5
197.11827	100.0
198.12106	4.5
199.13356	5.0
201.11314	35.8
202.11615	1.8
207.10257	16.4
209.09917	3.0
209.11812	49.2
210.12192	2.9
223.09666	3.7
225.11340	23.1
227.12880	6.3
230.68036	1.4
241.04936	1.5
241.10809	13.4
241.72409	1.4
243.12375	23.0
287.70529	1.3
289.18082	2.1
297.13300	4.1
311.05777	1.8
312.69702	1.5
315.14441	13.7
317.16013	7.4
399.23798	3.5
439.02802	1.4
439.59192	1.5
499.25446	27.2
525.27032	99.6
526.27582	8.8
543.28015	83.6
544.20721	1.6
544.28363	8.3
563.05841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70522	0.2
55.01882	0.7
57.03450	0.8
58.00592	0.4
59.01379	100.0
60.01716	0.5
61.98823	0.9
67.64899	0.1
69.03455	0.2
69.64613	0.4
69.65025	0.4
71.01380	9.0
72.99315	0.4
73.02946	3.8
75.00876	0.4
77.33100	0.1
78.95919	0.3
81.03445	0.3
83.01389	1.6
83.05022	0.3
85.02948	4.1
85.03466	0.2
87.00876	0.6
88.98840	0.1
89.02447	3.1
95.01387	1.0
96.96032	0.2
97.02975	0.4
99.00893	1.1
99.04542	0.4
99.08138	0.2
101.02445	7.5
111.00867	0.7
112.20326	0.1
113.02447	3.3
119.03487	1.0
125.02431	0.7
131.03450	0.1
133.02922	0.1
135.04558	0.2
138.98128	0.1
139.11319	0.3
143.03522	0.7
149.04533	0.2
159.03009	0.5
161.02489	0.3
161.04544	2.4
171.10248	0.9
173.04544	0.1
177.02008	0.1
179.03416	0.1
179.05635	0.2
180.40315	0.1
191.38312	0.1
211.13443	0.4
303.23322	0.1
329.23395	1.1
339.25311	0.6
343.90265	0.1
351.25357	0.1
381.26605	0.3
397.34711	0.1
406.89578	0.1
435.27826	0.2
483.29642	4.9
484.29865	0.3
501.30682	14.3
502.30826	0.9
525.24567	2.0
527.28876	0.2
543.24316	0.1
543.31934	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35223	0.1
55.01877	0.4
57.03445	0.7
58.00592	0.2
59.01377	100.0
60.01704	0.6
61.55771	0.1
61.98837	0.3
69.03458	0.2
70.23640	0.4
71.01381	7.2
71.05054	0.1
72.99306	0.5
73.02948	2.4
78.71144	0.1
83.01393	1.4
83.05002	0.2
85.02947	2.9
87.00875	0.6
89.02444	2.9
92.78128	0.1
93.03441	0.1
95.01380	0.7
96.96018	0.1
97.02987	0.2
99.00867	0.9
99.04532	0.1
101.02440	5.3
109.03033	0.1
111.00896	0.3
113.02446	3.7
119.03484	0.9
119.60492	0.1
120.58701	0.1
125.02439	0.5
125.54165	0.1
129.02026	0.2
136.08502	0.1
143.03506	0.5
159.03006	0.5
161.02443	0.4
161.04561	2.0
167.78464	0.1
169.12427	0.1
171.10313	0.2
173.04558	0.3
179.05788	0.2
197.11823	0.2
209.11861	0.2
225.11369	0.1
267.06580	0.1
287.19885	0.1
289.18161	0.2
303.23245	0.6
307.19348	0.2
323.25836	0.1
339.25339	0.3
351.25504	0.7
381.26541	0.4
409.25525	0.1
432.25311	0.1
435.27567	0.4
465.28241	0.2
483.29605	16.4
484.29904	1.1
501.30676	7.2
502.31061	0.5
506.46967	0.1
525.27014	0.3
543.31860	4.4
544.32294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
57.03444	0.6
59.01378	100.0
60.01717	0.5
61.66815	0.1
61.98837	0.3
71.01381	4.7
71.52562	0.2
72.99304	0.3
73.02943	1.5
79.95770	0.2
80.96507	0.2
83.01385	1.2
85.02950	2.2
87.00890	0.3
89.02457	0.3
93.03486	0.3
95.01401	0.6
97.03002	0.2
99.00864	0.7
99.04556	0.4
101.02443	2.5
103.54272	0.2
111.00875	0.2
113.02456	2.1
125.02477	0.5
133.02960	0.3
135.04582	0.4
143.03546	0.5
159.03015	0.2
161.02492	0.4
161.04565	1.7
173.04591	0.5
179.03510	0.2
197.11835	0.3
207.10391	0.2
209.11902	0.5
224.31369	0.2
225.11406	0.2
227.12643	0.2
237.15236	0.2
241.10893	0.2
247.49437	0.1
273.72305	0.2
289.01077	0.2
303.23270	1.1
325.35953	0.1
330.98593	0.1
383.24200	0.2
427.49219	0.1
453.28812	0.4
483.29611	16.2
484.30164	1.0
501.30698	4.7
502.31393	0.3
525.17493	0.1
525.26837	0.4
527.28595	0.2
543.32013	3.7
544.32367	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02116	1.7
61.98821	2.7
71.01369	5.2
78.95901	100.0
98.19827	2.8
99.92586	23.9
110.98528	19.8
115.92082	20.2
116.92863	17.3
117.93647	2.3
123.20161	1.6
150.97911	2.8
151.01601	3.4
152.99576	6.7
163.89665	2.3
164.90440	1.8
164.99577	5.4
167.01184	10.3
168.88506	1.8
175.20332	1.8
178.88425	27.3
179.89215	35.7
180.90021	19.3
181.90819	2.2
193.90770	50.7
194.87897	3.0
194.91550	20.6
196.89470	89.1
210.91032	6.8
229.31932	2.4
234.94562	2.4
235.91611	2.1
236.92719	2.8
248.92610	4.6
249.93248	3.0
250.94110	8.4
252.92070	2.5
266.93704	5.4
267.94501	4.8
277.21765	5.3
283.35025	1.8
458.07864	2.8
527.14923	25.9
541.13153	5.3
545.16095	89.8
546.16339	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76563	0.3
59.01375	1.3
61.98829	0.5
63.96228	0.5
67.29124	0.3
68.14110	0.4
69.03457	0.4
69.33734	0.6
69.34150	1.8
71.01376	4.5
73.02946	1.4
74.59545	0.3
78.98592	3.5
79.95724	6.2
79.96144	0.5
80.96513	41.6
81.03443	0.6
85.02944	2.1
87.00877	1.3
88.23961	0.4
94.98081	9.6
96.96003	0.8
97.02937	0.8
99.00876	0.5
99.04454	0.3
101.02429	2.0
106.98103	2.4
110.14133	0.3
113.02449	0.5
116.97276	0.3
122.97578	3.4
125.02467	2.1
127.04028	0.5
134.97588	2.6
136.99138	0.8
148.99133	3.6
152.98618	4.7
164.98624	7.8
167.00218	0.4
182.99664	1.7
201.11259	2.5
206.99677	2.2
209.11772	1.0
225.00723	17.3
226.01031	0.4
243.01697	1.5
299.04367	2.5
454.71094	0.3
501.16455	11.0
502.17108	0.5
527.17938	1.9
545.19055	100.0
546.19458	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	545.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30312	0.4
57.03444	0.5
59.01361	0.9
62.55803	0.3
62.87784	0.3
67.64150	0.3
71.01381	4.5
71.10003	0.8
72.99271	0.4
73.02940	1.5
78.98582	3.6
79.95725	6.6
80.96516	41.4
83.01424	0.4
85.02941	1.8
85.71477	0.3
87.00864	1.4
94.98084	9.0
96.96018	0.9
97.02956	0.6
99.04530	0.7
101.02442	1.9
106.98067	1.9
108.08359	0.3
111.26792	0.3
113.02366	0.4
122.97586	3.6
125.02448	2.1
126.16279	0.4
127.04012	0.7
134.97572	2.9
136.99133	1.0
139.33078	0.3
146.97595	0.5
148.99142	4.1
152.98645	4.6
164.98616	10.1
167.00089	0.4
182.99670	1.3
201.11301	3.2
206.99701	2.0
209.11806	1.1
225.00732	19.2
226.93533	0.4
231.90381	0.4
243.01770	1.3
299.04321	2.6
501.16470	13.1
502.16968	0.5
527.17999	2.3
545.19061	100.0
546.19427	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	545.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
57.03452	1.5
58.00587	0.3
59.01381	17.2
59.20887	0.3
60.62899	0.3
60.99314	0.6
61.98827	0.9
67.01891	4.5
69.03453	1.3
69.25862	1.9
71.01382	5.4
71.05024	0.6
72.61626	0.3
72.99287	0.5
73.02947	1.2
81.03461	0.9
83.01382	0.8
83.05024	1.0
84.02189	0.3
85.02939	2.4
87.00874	6.6
87.01381	0.5
89.02441	1.1
90.48187	0.3
93.03459	24.5
94.03786	0.5
95.01380	0.5
96.96016	1.9
97.02959	0.7
97.06581	0.3
99.00865	0.8
99.04514	0.8
101.02432	2.6
109.02960	1.3
109.06592	0.3
111.00911	0.9
111.04532	4.0
113.02471	1.5
115.92088	0.6
119.03461	0.3
121.02970	0.3
123.04484	0.4
125.02428	0.3
125.09759	0.3
127.03954	0.5
134.03787	0.3
135.04509	0.7
137.02454	4.4
142.94458	0.3
143.03516	0.5
145.02972	0.4
151.11365	0.3
155.03506	3.9
158.03708	1.2
159.04504	1.4
161.02423	0.6
161.04568	1.0
165.12811	0.3
171.10277	1.0
172.05374	1.3
173.04549	100.0
174.03374	0.4
174.04887	1.9
174.06827	0.9
177.01962	0.8
179.03525	0.4
181.12311	0.4
182.03728	0.3
183.10316	0.3
183.13939	0.6
185.06007	0.4
186.06854	3.4
187.04053	0.4
187.07649	4.1
189.09286	0.5
191.05650	3.0
195.13776	0.3
197.11838	1.4
199.13445	0.4
200.04790	1.1
201.05582	3.0
201.09212	2.0
201.11186	0.5
207.10245	0.4
209.11876	1.8
211.07707	1.0
211.13368	0.9
213.09190	0.3
214.06343	4.7
215.07127	5.1
225.11243	0.5
227.12878	1.0
229.08678	6.2
230.09421	2.1
231.10165	0.6
233.15477	0.4
243.12383	0.3
245.04552	1.0
247.20718	0.3
249.14955	0.3
251.16513	1.2
253.09285	3.8
255.06789	0.3
256.07407	0.6
273.07721	1.2
273.18802	0.3
274.08414	4.2
283.13556	0.3
291.19647	3.3
309.15286	0.5
309.20724	11.5
311.12906	0.8
327.16080	0.8
341.26938	0.7
371.14941	3.9
383.11282	0.3
448.14127	0.5
467.30286	0.7
485.31158	3.3
503.32437	2.1
527.28131	0.4
545.20038	2.2
545.29510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03447	32.2
58.00582	1.2
59.01380	48.2
61.98827	2.3
69.03462	1.1
71.01378	24.7
71.50932	1.6
72.99306	2.3
73.02946	27.5
79.05511	2.3
79.80442	0.8
81.03444	1.9
83.01379	6.9
85.02951	3.5
85.54053	0.8
87.00850	1.5
89.02444	15.8
95.05032	0.9
96.96011	2.9
97.03002	1.3
97.06592	2.5
99.04524	12.1
101.01798	1.7
101.02442	26.9
103.91335	0.9
104.83470	1.0
109.02939	3.0
113.02458	7.7
113.06087	2.3
119.03509	4.1
123.04516	6.2
123.08173	1.0
125.02431	4.2
131.03473	2.4
135.04480	2.0
141.05576	1.9
143.08659	20.8
146.03729	1.6
147.04546	0.9
149.09781	1.1
158.03720	1.1
159.04506	0.9
159.11795	19.3
161.04567	6.7
165.09192	8.3
173.04495	2.3
173.09569	0.8
175.11267	7.6
177.12830	11.7
187.34586	0.9
191.05638	1.4
191.10764	1.3
203.10841	2.1
221.11819	36.3
222.12119	1.8
250.46800	0.9
267.06454	1.3
323.10110	1.1
327.08716	2.8
353.06683	3.7
401.18149	77.5
402.18365	4.5
443.19189	42.0
444.19800	1.9
483.22287	13.8
545.22400	100.0
546.22540	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	545.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15032	0.9
57.03446	55.6
59.01377	42.5
61.98814	3.0
69.03446	1.8
69.34099	6.9
71.01381	18.4
72.99301	2.1
73.02935	10.6
78.98578	1.6
79.05559	0.9
79.40517	0.7
79.95709	1.7
80.96518	14.1
81.03447	1.6
83.01369	3.6
83.05014	1.3
84.47253	0.7
85.02955	7.4
87.00860	2.0
89.02435	10.3
94.98068	3.0
95.01419	0.8
95.05006	1.5
96.96024	1.4
98.20168	3.6
99.00871	1.2
99.04514	19.3
101.02436	28.2
108.05521	0.8
108.15974	0.9
109.02991	0.9
113.02441	8.5
113.06088	1.2
116.92832	1.0
119.03497	3.1
119.05006	0.9
119.64818	0.9
121.02953	1.0
121.06570	0.9
122.97586	1.3
123.04521	5.5
123.08154	4.6
125.01648	1.2
125.02448	12.7
125.93175	0.9
131.03497	1.0
133.06648	0.9
134.97534	2.0
135.04530	8.1
135.08128	2.2
139.07632	1.6
141.05605	1.3
143.03502	2.7
147.04436	1.2
148.05258	2.7
148.99133	1.0
149.02438	2.0
149.04541	1.0
151.07648	21.6
152.98607	1.3
159.03017	0.9
160.08929	2.2
161.02449	0.8
161.04541	12.9
161.09679	8.8
163.07648	15.6
164.04773	2.5
164.08037	0.8
164.98576	2.3
165.09189	6.7
173.09660	2.7
177.09184	4.6
179.03502	0.9
179.05560	5.4
179.07124	1.4
179.10770	13.8
184.41531	0.9
187.07594	1.5
188.08409	6.3
191.05559	1.8
193.12276	1.2
197.04533	1.4
203.10767	71.2
204.11101	1.8
209.11916	1.1
221.11810	100.0
222.12158	2.4
225.00603	5.3
235.08188	1.1
288.35953	0.9
365.15897	1.7
383.16971	7.8
401.18188	15.4
425.18192	1.4
434.48285	0.8
443.19220	2.0
501.16156	2.9
527.17902	9.2
545.22882	53.6
546.22272	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	547.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.4
57.79757	0.4
59.01376	11.7
60.99302	13.6
61.98830	2.7
69.31161	4.1
71.01384	5.1
72.99303	1.0
73.02949	1.5
80.96512	0.8
83.01372	1.3
85.02956	2.0
87.00887	1.7
88.98803	100.0
89.02445	5.1
93.03456	0.6
96.95995	4.5
97.06609	0.5
99.04518	2.3
101.02426	4.5
109.02951	0.8
110.01024	0.5
113.02441	2.1
118.00156	0.5
119.03509	1.4
123.04460	1.0
123.08169	0.9
125.02463	2.0
125.09750	0.5
128.03502	0.6
135.04514	1.6
141.09250	0.8
147.34135	0.5
153.05594	0.8
160.82501	0.4
161.02473	1.0
161.04509	1.0
161.09727	1.4
163.04039	0.9
173.04578	1.7
179.03487	0.7
179.05611	0.9
179.10748	2.7
203.10791	0.8
223.09686	1.2
241.14368	3.2
257.51077	0.5
291.04642	0.9
311.16690	0.5
323.09930	0.6
325.12909	1.5
341.10852	3.1
353.06802	0.6
356.34995	0.5
385.15057	4.2
403.19479	1.3
436.80923	0.6
439.78125	0.5
445.20120	0.6
457.16013	2.1
460.08856	0.6
485.23242	0.8
496.80780	0.5
503.09280	0.5
503.24933	0.7
529.13422	0.7
547.20789	1.7
547.27179	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	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	70.7
58.03792	1.7
59.01379	100.0
60.01714	1.5
61.98828	4.5
69.44598	8.6
71.01382	44.6
72.99313	3.3
73.02950	24.3
75.00883	1.3
79.05528	1.5
79.59460	1.2
80.96546	1.9
81.03461	3.3
83.00996	1.3
83.01395	7.6
85.02951	11.9
87.00880	5.4
87.04514	9.5
89.02444	36.7
90.98605	1.6
93.03479	4.2
95.01409	2.3
96.96014	6.6
97.02917	1.4
97.06596	1.3
99.00920	1.6
99.04519	67.2
101.02440	60.2
101.06091	6.5
109.02987	1.6
109.06612	5.0
113.02446	20.4
113.06130	3.5
115.00393	2.6
119.03487	14.8
123.04546	7.6
124.58258	1.1
125.02448	39.0
131.03539	3.8
135.04561	3.0
137.02480	3.4
139.11365	1.5
141.05644	2.2
143.03477	8.3
149.04591	3.9
151.07674	1.2
152.13864	1.1
159.03093	1.2
161.02452	2.1
161.04533	13.1
163.03958	1.5
163.07727	1.2
171.10292	1.5
173.04524	8.4
173.18237	1.0
175.02521	3.9
179.03516	3.5
179.05603	10.0
191.05630	11.5
203.10664	2.4
204.11119	1.7
205.12416	6.8
221.06699	2.8
221.11810	3.9
222.12202	2.3
222.59195	1.2
223.13657	2.7
315.14505	1.6
316.61743	1.3
353.08945	2.2
367.17715	3.4
367.85089	1.2
385.18710	18.6
403.19699	69.6
404.20209	2.7
427.19937	3.3
445.20715	30.6
446.21231	2.5
485.23840	7.1
498.59897	1.2
503.24844	2.6
547.24036	59.1
548.24524	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	547.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	70.7
58.03792	1.7
59.01379	100.0
60.01714	1.5
61.98828	4.5
69.44598	8.6
71.01382	44.6
72.99313	3.3
73.02950	24.3
75.00883	1.3
79.05528	1.5
79.59460	1.2
80.96546	1.9
81.03461	3.3
83.00996	1.3
83.01395	7.6
85.02951	11.9
87.00880	5.4
87.04514	9.5
89.02444	36.7
90.98605	1.6
93.03479	4.2
95.01409	2.3
96.96014	6.6
97.02917	1.4
97.06596	1.3
99.00920	1.6
99.04519	67.2
101.02440	60.2
101.06091	6.5
109.02987	1.6
109.06612	5.0
113.02446	20.4
113.06130	3.5
115.00393	2.6
119.03487	14.8
123.04546	7.6
124.58258	1.1
125.02448	39.0
131.03539	3.8
135.04561	3.0
137.02480	3.4
139.11365	1.5
141.05644	2.2
143.03477	8.3
149.04591	3.9
151.07674	1.2
152.13864	1.1
159.03093	1.2
161.02452	2.1
161.04533	13.1
163.03958	1.5
163.07727	1.2
171.10292	1.5
173.04524	8.4
173.18237	1.0
175.02521	3.9
179.03516	3.5
179.05603	10.0
191.05630	11.5
203.10664	2.4
204.11119	1.7
205.12416	6.8
221.06699	2.8
221.11810	3.9
222.12202	2.3
222.59195	1.2
223.13657	2.7
315.14505	1.6
316.61743	1.3
353.08945	2.2
367.17715	3.4
367.85089	1.2
385.18710	18.6
403.19699	69.6
404.20209	2.7
427.19937	3.3
445.20715	30.6
446.21231	2.5
485.23840	7.1
498.59897	1.2
503.24844	2.6
547.24036	59.1
548.24524	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	547.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.5
61.55029	1.8
61.98827	7.6
70.01287	7.5
71.01377	7.9
72.99300	3.9
78.95905	7.5
79.95738	3.5
85.02956	2.3
89.02454	6.1
93.03444	7.6
96.96009	100.0
96.96964	4.1
101.02447	6.4
113.02441	2.9
129.09215	5.5
135.04575	4.0
152.99689	2.5
171.10295	2.2
173.04536	20.1
173.05898	3.1
176.04755	2.2
181.12325	3.5
185.11684	2.5
197.11806	6.2
199.13527	2.0
202.23083	2.1
209.11845	9.2
211.13390	12.0
229.52827	2.1
253.09241	24.8
287.22321	2.8
293.21249	8.4
311.22256	82.3
312.22626	5.1
374.43286	2.2
449.27536	6.9
547.25720	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	547.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	10.4
59.01373	43.7
61.98837	31.9
71.01389	13.3
71.52117	9.7
71.52530	10.7
72.72346	8.0
72.99331	12.3
78.95908	73.3
87.49776	10.9
93.03472	22.9
96.96030	20.2
96.96957	18.5
97.06594	12.4
131.05779	8.8
135.04515	10.4
145.02965	11.1
161.04581	12.3
173.04529	50.4
207.04337	10.1
209.11797	18.2
211.13365	11.6
227.12877	15.9
230.72742	11.2
235.17311	9.7
253.09195	26.6
311.22299	100.0
323.22263	42.4
340.07693	10.9
384.71454	13.3
431.50107	9.5
547.26733	42.6
547.34332	19.3
548.29553	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0883
Annotation	Quercetin 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
51.83373	1.0
52.33269	1.0
56.10363	1.0
59.73687	0.9
69.43814	8.3
70.48858	1.0
73.39428	1.0
98.19868	1.2
106.80826	1.2
107.01368	2.7
121.02940	2.0
135.00906	1.2
148.01645	2.3
151.00369	12.0
163.00360	3.4
178.99881	5.5
199.04001	1.2
201.41463	1.1
226.02650	1.1
227.03462	4.1
243.03017	10.3
245.04601	1.5
254.02119	1.9
255.02975	28.6
256.03543	1.9
271.02466	59.4
272.02936	4.5
286.36871	1.2
299.01910	1.5
300.02734	100.0
301.03455	43.2
302.03802	1.5
463.08664	4.3
505.09842	77.5
506.10095	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	549.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83377	0.9
55.01903	0.9
57.03445	49.9
59.01377	23.5
61.98822	3.3
69.03456	12.9
71.01377	6.2
71.51995	1.2
72.99296	1.8
73.02944	5.0
75.00863	1.7
78.95902	1.8
79.01888	7.6
80.96523	4.4
81.03465	2.5
81.49477	1.0
83.01377	2.5
85.02946	3.1
87.00890	1.3
88.98792	1.7
91.65685	0.9
93.03458	2.9
93.45399	0.9
94.91771	0.8
95.01394	4.2
95.88936	1.1
97.02953	7.2
99.04517	44.9
100.04897	1.0
100.59907	1.0
101.02443	15.2
103.59567	0.9
107.01379	16.7
108.02164	23.7
109.02945	2.8
113.02419	2.8
121.03018	1.1
123.00881	3.9
125.02443	48.4
126.02731	1.1
133.02975	1.4
135.00877	45.5
135.04553	2.4
137.02475	6.0
143.03462	1.8
147.04483	0.9
149.05981	1.2
151.00401	4.6
152.01146	70.9
152.99615	3.4
153.95874	0.9
159.04523	1.3
161.02432	6.5
161.04543	2.0
163.03877	1.1
173.04575	2.0
177.02055	1.0
179.03506	1.8
187.07632	2.8
197.06000	2.0
201.05630	1.9
201.09056	1.0
202.06311	2.3
203.07004	1.0
208.26407	0.9
210.49948	0.9
215.07098	2.0
225.00633	0.9
229.08678	4.1
230.09512	3.0
237.04050	1.2
242.05763	5.4
243.06593	100.0
244.06978	5.2
269.08307	1.2
285.07892	1.3
345.29675	1.2
387.10873	15.8
405.11880	9.4
408.12042	1.0
447.12805	2.6
452.16501	1.9
463.21118	1.3
489.34467	12.1
495.41278	1.1
507.35245	4.2
549.20197	7.1
549.32300	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	549.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14875	0.8
56.58128	0.8
57.03441	5.4
59.01380	28.1
61.98830	4.6
67.45374	0.9
70.27056	0.9
71.01375	5.8
71.52609	1.4
73.02946	2.5
83.01365	5.1
83.05027	2.1
85.02957	2.9
87.00868	4.0
88.98756	0.8
89.02420	1.6
93.03457	75.3
96.96007	2.3
97.06586	3.8
99.04548	2.3
99.92540	1.2
101.02454	6.0
107.05029	2.8
108.02135	1.5
109.02981	2.1
109.06579	1.0
113.02457	3.4
115.92094	6.2
115.92811	1.2
116.92844	1.2
119.05022	12.7
121.02969	1.2
123.04537	1.7
123.08174	2.8
133.02945	1.1
135.04509	5.0
137.02440	90.2
137.09702	1.2
138.02783	1.5
139.04010	1.8
139.11259	3.8
152.01141	2.0
153.01932	1.1
157.12332	1.0
161.02492	2.4
161.04485	1.2
161.09708	4.0
161.13281	1.8
163.04016	7.3
163.11237	1.3
163.86316	1.0
167.10797	1.6
169.10081	1.0
169.12418	1.1
171.10321	1.6
173.04533	3.4
177.02071	1.1
179.03502	2.2
185.11812	16.9
187.11241	7.3
189.09175	5.4
201.11317	1.4
203.10625	1.0
205.12323	3.3
207.10252	2.4
209.11781	1.1
214.12125	1.4
223.13365	2.4
225.14928	1.3
231.10254	2.7
242.22043	1.1
243.12340	1.6
243.16003	2.1
249.11247	4.5
267.12372	3.6
271.02594	1.0
291.12549	1.2
291.19687	5.3
301.03149	1.1
307.22702	1.1
309.20621	4.6
325.23773	13.3
327.21735	82.8
328.22302	2.5
333.13443	1.7
343.24841	1.1
351.14645	1.5
357.06030	1.0
369.22662	3.1
387.23862	100.0
388.24109	4.1
405.21307	7.9
411.16626	11.0
412.17300	1.2
429.24667	6.4
447.22421	1.7
489.27200	3.5
505.09579	1.1
505.26663	4.9
549.19763	30.4
549.29028	52.0
550.19678	3.5
550.29266	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	549.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46180	0.6
57.03444	5.0
57.70151	0.6
59.01377	28.4
61.98822	3.0
64.30779	0.7
67.53074	0.8
69.03452	1.1
69.53636	4.6
69.53945	1.1
71.01371	6.2
72.99308	1.0
73.02949	4.0
73.34138	0.6
75.00836	1.1
81.34328	0.7
83.01387	5.4
83.04994	2.2
85.02950	2.4
87.00862	2.6
89.02452	1.9
93.03455	97.9
94.03789	1.2
95.05044	0.8
96.96042	1.5
97.06576	2.1
99.04510	2.6
101.02464	6.6
101.49509	0.6
105.18227	0.7
107.05021	2.8
108.02153	0.8
109.02954	2.1
113.02444	2.0
115.92072	3.6
116.92779	0.8
119.05021	26.9
121.02972	1.1
123.04536	1.9
123.08157	2.0
125.02453	1.3
125.09740	1.0
133.02937	1.2
134.03806	0.9
135.04514	3.7
137.02440	100.0
137.09712	0.8
138.02753	1.7
139.04001	0.9
139.11298	2.7
145.02910	0.9
147.08113	1.0
148.86305	0.7
149.06041	1.0
151.00383	0.7
152.01122	1.5
153.01952	1.9
153.05571	1.9
157.12311	1.9
161.02444	2.4
161.04491	1.1
161.09674	6.0
161.13382	2.1
163.04013	17.2
163.11320	1.1
165.09212	2.1
173.04558	2.1
179.03514	1.6
181.12338	0.9
185.11809	7.4
187.07744	0.9
187.11250	7.3
188.00616	0.7
189.09209	5.4
197.11716	0.9
199.07707	0.8
201.11205	0.8
202.06424	0.7
203.10751	1.6
205.12361	3.6
207.10226	2.4
214.11990	0.9
223.09714	1.7
223.13309	4.1
229.08661	0.8
231.10283	2.7
241.10837	1.0
243.15955	1.0
249.11314	5.8
267.12390	3.6
271.02475	1.2
273.11423	1.1
278.80948	0.7
291.12454	1.7
291.19717	2.1
299.07819	0.8
300.02872	1.4
305.21323	1.1
309.20728	1.9
315.12427	1.9
325.23785	7.4
327.01367	0.8
327.21732	36.6
328.22076	1.2
333.13419	2.4
343.24948	1.2
351.14792	1.3
369.22702	1.2
385.14996	1.5
387.23865	52.0
388.24353	2.4
393.22250	0.7
403.19733	2.7
405.21039	5.1
411.11453	1.3
411.16611	13.3
429.24744	4.8
447.22244	1.3
459.26297	1.3
489.16849	0.7
489.26920	5.6
505.26343	4.1
540.46783	0.7
549.19836	43.0
549.29120	31.6
550.20319	2.9
550.29639	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	41.7
59.01379	43.7
61.98829	3.9
66.49000	0.7
69.04523	0.6
69.27866	1.9
69.28288	3.6
71.01383	10.1
72.99313	1.0
73.02940	7.4
77.28974	0.6
79.05531	1.3
81.03453	1.7
83.01390	4.0
85.02942	3.4
87.00877	1.0
89.01917	0.6
89.02448	2.1
95.01376	1.1
95.05009	0.9
96.95994	5.5
97.02936	1.0
97.06571	1.0
97.34481	0.6
98.95604	0.7
99.04516	42.7
101.02435	20.9
108.02180	0.7
109.02937	0.9
113.02446	6.2
113.06069	1.0
115.00382	0.6
115.61316	0.7
119.03447	0.7
123.04527	6.6
125.02448	11.9
131.03548	1.0
133.02943	2.1
135.04552	3.2
139.11295	11.2
141.05573	2.1
143.03500	5.4
143.60384	0.7
144.03873	0.6
145.02919	0.8
151.00362	2.3
152.01086	0.8
153.05576	1.5
161.02586	9.9
161.04547	100.0
162.04900	1.4
163.00334	0.7
167.03503	1.4
173.04494	1.3
178.99844	1.2
179.03490	0.9
181.12317	7.6
183.10252	14.3
191.05519	0.7
192.00574	0.9
193.05045	0.7
199.13371	4.6
203.05679	1.5
225.11334	7.8
233.06697	4.5
235.04013	1.1
237.03976	0.9
243.02971	2.5
243.12361	63.0
244.12668	2.2
254.02277	0.9
255.02986	6.6
263.07675	12.2
271.02444	17.2
272.02948	1.0
281.04544	0.7
283.02567	0.9
285.13437	13.1
292.35300	0.7
300.02756	25.6
301.03479	10.1
305.08798	6.4
307.02454	3.8
325.03479	1.2
327.14236	0.8
345.15594	1.0
361.18631	0.8
387.16693	3.8
405.17639	17.7
406.17801	0.9
447.18658	2.7
463.08878	1.7
473.10931	2.6
505.09845	21.7
506.10254	2.2
514.84131	0.7
531.21057	2.2
549.12488	1.8
549.21881	21.5
549.29279	5.8
550.22479	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	549.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	20.3
59.01378	33.8
60.56179	0.4
69.39256	0.7
69.39647	2.6
71.01389	3.5
73.02933	3.1
77.71620	0.4
81.03442	0.4
83.01378	1.1
85.02970	1.5
87.04561	0.3
89.02438	0.8
96.96015	0.6
99.04518	11.3
100.04836	0.5
101.02432	6.9
109.06596	0.4
113.02451	1.7
113.06075	0.5
123.04501	0.6
125.02445	7.1
125.09675	0.4
133.07065	0.4
137.09663	0.6
139.11288	21.2
140.11655	0.6
143.03499	1.7
161.04543	5.2
163.11255	1.2
165.09203	1.2
181.12335	13.6
183.10249	27.4
184.10529	0.7
199.09662	0.8
199.13377	9.5
203.05603	2.0
205.12320	0.5
214.90266	0.4
223.37663	0.5
225.11302	10.1
243.12352	100.0
244.12741	3.5
249.11311	0.7
261.09637	0.5
271.02518	0.4
285.13321	1.8
300.02679	0.8
305.08749	21.6
306.09149	0.9
405.17615	17.7
406.17984	1.1
447.18637	7.5
487.21710	2.2
505.09824	0.5
549.21820	22.4
549.29382	4.1
550.22205	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	549.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89069	1.5
57.03440	8.7
59.01381	34.3
61.98816	4.5
70.52557	3.8
71.01387	19.2
72.99307	2.8
73.02947	22.1
79.35551	1.3
80.68034	1.4
83.01384	2.6
85.02951	6.0
87.00867	6.9
87.04513	2.5
88.98795	6.2
89.02438	10.0
95.05033	1.8
96.95982	2.9
97.02942	2.0
98.20532	1.9
99.04504	5.6
101.02448	19.3
108.02129	3.0
109.02942	5.7
109.06551	1.8
113.02443	7.9
115.92049	3.6
116.92840	4.9
119.03429	1.9
121.23110	1.7
123.04484	1.8
125.02431	3.8
125.09719	1.8
133.02965	2.1
135.04510	6.8
137.06055	1.9
139.11261	3.6
141.12804	2.2
143.03444	2.3
152.01100	3.5
153.01932	3.6
153.05515	2.1
155.10857	1.9
161.02513	8.0
161.04509	4.7
163.11298	11.3
171.10265	2.2
173.04495	3.4
177.12787	1.6
181.12335	100.0
182.12685	3.2
183.10287	2.0
185.02539	1.4
195.13867	6.1
201.11473	1.8
207.10191	5.6
215.52820	1.4
223.13332	3.7
225.11316	70.7
226.11691	3.6
239.12863	4.2
243.12354	24.3
255.02924	3.8
267.09665	2.2
267.12378	19.0
271.02255	3.4
297.13593	10.2
298.95963	1.8
300.02692	6.3
301.03372	5.7
305.08829	3.9
327.14474	39.5
328.14584	2.0
369.15234	1.8
387.16592	84.1
387.24026	3.8
388.17267	3.2
505.10037	4.5
505.26117	1.8
549.12225	3.6
549.21704	81.0
549.29254	29.8
550.21863	5.7
550.29663	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.1
59.01375	0.3
69.40356	1.0
71.01380	0.3
78.95900	5.5
79.95735	2.4
89.02451	0.2
94.98073	0.2
96.96010	100.0
96.96914	9.4
97.92319	0.1
97.95949	0.2
98.20686	0.2
99.04463	0.1
101.02414	0.2
108.02196	0.2
108.06059	0.1
116.92863	0.2
123.04534	0.1
135.04472	0.1
152.01227	0.2
158.61409	0.1
161.02425	0.1
163.03954	0.1
228.00911	0.1
506.24377	0.1
548.60168	0.1
549.12787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
59.01379	65.4
61.98830	100.0
65.36835	0.6
69.59126	4.0
71.01382	12.9
71.08907	0.7
72.99327	1.6
73.02946	12.9
78.95914	0.8
83.01392	3.6
83.05045	1.3
85.02953	3.0
87.00897	1.9
88.98832	0.8
89.02443	4.0
93.03446	1.0
95.01440	0.9
97.02946	0.7
99.04552	1.0
101.02443	17.8
113.02442	8.7
113.03165	0.8
119.03513	2.7
121.02969	0.9
121.06638	1.0
123.08191	2.0
125.02444	1.1
128.03508	0.6
131.03534	2.4
133.03050	0.6
133.06653	0.7
135.04546	3.8
135.05435	0.7
135.08153	1.0
143.03522	2.5
149.04501	4.8
153.05664	0.8
161.02484	1.8
161.04553	9.2
161.09749	1.2
163.07637	4.6
173.04585	2.3
175.11278	1.1
177.09213	0.7
179.03523	1.4
181.08693	3.9
189.92828	0.8
191.10855	1.0
197.04607	1.3
203.05540	1.0
203.10770	5.7
206.09512	0.7
209.11909	1.2
221.06703	3.7
221.11790	11.8
239.12878	3.9
383.17444	0.9
405.66800	0.7
443.19165	8.5
516.88239	0.7
550.26349	2.2
551.24146	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80966	1.3
57.03441	1.6
59.01381	28.5
60.19286	1.1
61.98829	100.0
71.01382	12.6
71.51472	2.1
73.02955	7.5
83.01390	2.4
85.02947	4.4
89.02443	4.4
96.96037	2.0
101.02438	7.4
104.44363	1.0
113.02441	4.8
115.30614	1.0
119.03492	1.6
121.02949	3.7
123.04569	1.2
135.04468	1.3
137.06071	1.4
139.07651	17.5
151.07651	1.2
161.04552	5.7
168.07898	9.2
173.11247	1.2
176.93286	1.2
179.10721	1.2
191.10698	9.2
203.10759	3.5
209.04529	4.8
209.11787	2.9
210.87297	1.1
221.11746	7.2
225.93799	1.3
239.12831	7.9
353.15854	1.8
383.17081	31.1
401.18286	3.2
413.18344	1.2
443.19147	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	550.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01138	0.7
57.03443	2.9
59.01378	59.1
60.01737	0.8
60.85159	0.7
61.98827	100.0
69.03439	0.8
69.49535	1.5
69.49953	4.2
71.01378	10.1
72.99330	0.9
73.02944	7.7
83.01399	2.4
85.02956	2.7
88.98805	1.8
89.02438	5.1
93.03426	1.1
96.95992	1.0
98.20177	2.6
99.04527	2.6
101.02435	11.6
113.02435	6.4
115.82343	0.8
119.03493	1.4
121.02924	3.8
123.04542	1.5
123.08180	1.7
125.02475	1.3
126.09839	0.7
135.04539	2.2
135.08171	1.7
139.07658	0.8
143.03523	0.8
149.04597	1.3
151.00366	1.2
152.00722	0.8
157.03188	0.8
161.04539	4.9
161.09752	2.5
161.98399	0.7
173.04518	1.0
173.09662	0.9
177.09286	4.2
178.99919	1.5
188.08432	1.6
203.05618	1.3
203.10767	9.4
209.04544	1.9
221.06625	2.0
221.11833	6.6
239.12891	5.3
242.63435	0.8
267.19925	0.8
272.02802	1.0
300.02728	2.5
301.03262	2.7
302.04034	1.3
383.16992	11.0
384.17477	1.0
401.18192	2.5
443.19205	17.3
506.10452	1.5
550.09576	3.2
550.26416	1.3
566.49597	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.5
59.01379	54.9
60.01717	1.0
61.98829	100.0
67.01882	0.7
69.24974	1.2
69.25310	6.1
71.01380	12.3
72.99310	2.0
73.02948	8.3
78.45303	0.6
83.00993	0.6
83.01377	3.8
83.05077	0.7
85.02963	3.1
87.00877	1.3
88.98830	1.9
89.02439	5.6
93.03428	0.8
95.01374	1.1
96.96007	1.5
99.04539	2.6
101.02441	11.6
109.02965	1.5
113.02456	6.3
116.58560	0.7
119.03494	3.4
121.02953	3.1
123.04498	0.7
123.08183	1.3
125.02492	1.4
128.03540	0.8
135.04500	3.2
135.08192	1.9
139.07645	0.9
143.03531	1.5
145.03038	0.7
149.04564	2.5
151.00410	1.2
152.00937	0.8
158.16620	0.7
161.02487	1.3
161.04524	5.5
161.09714	2.3
163.24860	0.7
171.98973	0.7
173.04578	1.8
177.09210	3.4
178.99887	1.1
179.03510	1.2
185.09766	0.9
191.10835	1.0
203.10739	8.7
209.04669	2.0
209.11899	2.2
221.06718	1.5
221.11806	6.5
239.12852	5.3
255.02875	0.8
271.02487	1.8
272.02719	1.0
300.02722	2.0
301.03180	3.6
302.03864	1.8
327.05435	1.3
347.11316	0.8
383.17062	12.1
401.18256	2.5
405.21313	1.1
406.21680	1.5
443.19159	18.8
443.25171	1.0
444.19229	1.2
467.42090	0.8
506.10687	1.5
550.08997	4.6
550.25903	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	551.213
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
50.27917	0.7
52.70477	0.6
56.48775	0.7
57.03446	2.8
59.01376	12.7
61.98820	2.2
69.03457	1.0
69.37121	3.8
69.37540	1.7
71.01386	5.4
72.99282	0.8
73.02940	4.8
73.84160	0.7
78.13156	0.7
78.95885	0.8
82.08497	0.7
82.09008	0.6
83.01379	7.0
83.05033	1.6
85.02959	2.3
87.00883	1.3
87.04507	1.1
89.02445	1.0
93.03443	10.6
97.06573	1.4
101.02434	4.2
107.05045	1.4
109.02940	4.0
113.02476	1.6
119.05023	100.0
120.05333	1.6
121.02950	15.1
122.03722	0.9
123.04514	9.7
135.04495	3.0
137.02437	5.1
139.04012	55.9
139.11293	5.1
147.04495	0.8
148.94351	0.6
153.01938	1.1
153.05573	1.1
161.02434	1.5
161.09731	3.9
161.13318	1.4
163.04004	54.9
163.11290	1.7
164.04387	2.0
165.09171	1.0
169.12283	1.6
173.04462	1.0
179.10777	1.8
181.12326	1.6
183.10229	8.2
187.11272	3.7
189.09218	3.3
197.11821	1.2
199.13535	0.9
203.10838	1.4
204.18872	0.7
205.12315	1.6
207.10255	1.8
223.13367	1.6
225.11334	8.4
231.10185	1.6
243.12320	5.3
249.11333	2.7
265.09320	1.7
267.12521	1.8
285.13440	1.0
291.12259	2.2
291.83719	0.8
301.09158	3.0
301.20288	1.0
309.13348	1.0
327.14514	1.7
329.23291	2.4
333.59485	0.8
343.14075	0.8
351.14468	1.0
387.16589	7.3
388.17102	1.0
389.25519	2.1
411.16507	4.5
419.92615	0.8
431.17053	1.0
533.20300	21.0
534.20306	1.3
551.21179	61.0
552.21631	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	551.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.4
58.00594	0.9
59.01380	12.6
60.00791	0.3
61.98832	1.5
69.03457	0.6
69.61043	1.9
71.01385	4.6
72.01765	0.3
72.99307	1.9
73.02946	4.2
75.00867	0.6
80.96526	0.4
83.01382	4.7
83.05022	0.4
85.02948	1.4
87.00887	0.7
87.04521	1.1
89.02469	1.2
93.03460	1.7
95.01390	0.8
95.05013	0.4
96.96004	0.7
97.02974	0.7
97.06600	0.4
99.00880	0.5
99.04499	0.6
101.02444	4.2
107.04982	0.6
108.02182	1.2
109.02310	0.4
109.02946	2.3
109.06596	0.7
109.78159	0.4
111.04486	0.6
113.02449	1.4
119.05025	100.0
120.05367	2.4
121.02981	0.5
121.06580	0.5
123.04504	1.6
125.02460	0.7
127.07657	0.5
133.02946	1.0
135.04524	2.9
137.02513	0.5
137.09732	0.8
139.04042	0.6
139.07661	0.5
139.11282	5.7
140.88606	0.4
149.02524	0.5
151.11244	0.5
152.01184	1.4
153.01904	1.4
153.05573	1.2
161.02435	2.2
161.04556	0.5
163.04007	79.3
164.04381	1.5
165.05580	2.9
165.09174	0.6
169.12346	2.5
173.04553	1.3
178.57393	0.4
179.03510	1.4
179.10767	1.7
181.08723	0.4
181.12370	1.9
183.10272	9.6
185.11768	0.8
197.11864	1.4
199.13412	0.9
215.12871	0.6
225.11310	10.6
226.11716	0.4
239.12936	0.7
241.05032	1.1
243.12335	8.4
249.11325	1.0
267.12375	1.6
277.04950	0.8
278.05829	0.7
285.13406	1.1
291.12433	1.6
293.04471	0.5
295.06009	0.5
303.21783	0.5
309.07822	0.4
309.13416	0.5
321.03943	2.5
327.14365	3.3
327.21356	0.5
327.25314	0.8
329.23340	3.9
331.19223	0.4
339.04929	0.6
345.22849	1.0
353.06766	1.1
371.24384	1.0
387.16608	11.6
389.25439	4.6
431.26764	0.9
465.27036	0.9
487.04224	0.4
507.20547	0.8
507.27972	6.0
551.21375	25.8
551.30701	14.4
552.21552	1.9
552.30579	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	551.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04180	55.4
61.98831	100.0
71.11919	61.2
71.53135	78.9
87.98652	57.9
104.58331	61.9
123.31001	71.6
152.99583	90.8
230.18430	63.0
249.49190	64.0
279.23340	86.5
295.14511	66.8
310.51559	58.7
331.28177	62.0
507.07538	63.4
517.08472	65.8
551.29401	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65929	22.1
61.98830	100.0
78.95896	72.7
152.99551	76.0
208.19411	29.3
216.86444	26.6
220.79054	26.0
279.23517	33.3
297.69598	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	551.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.3
59.01379	13.7
70.07894	0.9
71.01371	2.6
72.99316	0.2
73.02911	0.6
78.95893	0.3
81.81559	0.2
83.01385	0.3
85.02952	0.8
87.00899	0.3
89.02442	2.3
91.03993	0.3
101.02446	2.9
103.03995	0.3
113.02427	1.3
119.03513	0.6
129.50108	0.2
143.03560	0.3
161.04521	1.1
179.05553	0.4
235.08214	2.9
253.09290	13.2
254.09633	0.5
255.23283	100.0
256.23636	4.6
268.46350	0.2
348.75534	0.2
413.83603	0.3
491.32111	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03223	0.2
58.00587	0.2
59.01377	10.8
60.08461	0.1
65.72611	0.2
69.82623	0.2
71.01379	2.4
71.52997	0.2
73.02946	0.4
83.01415	0.2
85.02951	0.8
87.00860	0.4
87.75134	0.2
89.02448	2.2
89.56483	0.2
91.04036	0.2
93.32625	0.2
95.01323	0.2
99.00869	0.2
101.02440	3.0
113.02431	1.2
119.03526	0.9
133.05026	0.3
143.03491	0.4
157.05077	0.2
161.04581	1.1
179.05582	0.3
185.25459	0.2
199.17007	0.6
200.85739	0.2
235.08234	2.9
253.09276	12.5
254.09700	0.3
255.23277	100.0
256.23627	4.5
491.32391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.9
59.01070	1.5
59.01379	64.0
61.98829	100.0
63.79662	1.0
69.32032	4.9
69.32455	2.5
71.01377	9.6
72.99277	0.9
73.02944	7.0
81.03455	1.1
81.98915	0.8
83.01382	2.3
84.83362	0.7
85.02964	1.9
88.04037	1.1
89.02426	3.0
98.20629	1.8
99.00845	0.9
101.02434	9.9
113.02441	5.7
119.03477	1.2
123.04526	1.9
128.98845	0.7
131.03424	1.2
135.04494	2.1
143.03506	1.4
149.04500	1.0
155.08612	1.1
157.10248	1.5
161.04546	4.1
165.09160	0.8
175.11258	5.1
179.03499	2.3
209.11771	1.7
223.13370	6.3
241.14545	1.0
245.15549	0.9
341.08963	1.0
385.18622	8.1
403.19650	2.4
445.20746	10.9
547.94342	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	552.286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58371	0.3
55.46510	0.3
58.46885	0.3
59.01365	1.2
61.98817	0.5
71.01381	0.5
78.95898	6.0
79.93183	0.3
79.95744	0.4
80.96504	2.1
94.98103	0.4
115.90288	0.4
138.63506	0.4
152.99545	0.9
164.82877	0.3
164.98618	0.6
168.04291	1.8
195.16208	0.3
224.06929	1.1
226.01089	0.5
230.13876	0.4
233.22823	0.8
234.96007	0.3
242.07994	3.6
253.41826	0.3
259.20786	0.4
277.21701	100.0
278.22064	4.2
354.14749	0.4
502.29385	49.6
503.29681	3.7
552.25500	4.4
553.25446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	1.4
59.72722	0.3
61.98829	1.9
69.67663	1.1
69.68093	1.4
78.95901	27.2
80.96483	1.9
88.85938	0.4
152.98515	0.6
152.99590	4.5
168.04305	4.3
224.06909	9.9
233.22694	0.7
242.07980	2.6
253.21715	1.6
259.20755	0.5
277.21701	100.0
278.22031	5.4
502.29379	89.4
503.29651	6.6
552.25488	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	553.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82406	1.5
59.01371	1.7
61.98832	2.6
67.01880	8.8
68.99815	4.1
75.00875	2.4
78.95898	18.1
79.95760	2.1
80.02674	1.8
81.03453	71.0
94.90617	1.5
95.01396	6.7
95.05052	1.9
96.96011	41.2
96.96949	33.0
97.98272	1.6
108.02212	2.1
121.03035	1.7
123.04520	100.0
124.04810	2.0
131.91983	1.7
150.90601	1.7
167.03506	8.4
211.02472	65.6
304.67908	1.6
371.08218	1.9
445.79761	1.8
548.35297	1.9
577.47955	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	553.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71792	0.7
53.00312	1.0
58.63627	0.7
59.01370	2.7
64.23693	0.7
67.01886	10.4
68.99814	2.5
69.61607	5.1
71.01384	1.9
72.99304	0.8
77.49035	0.7
81.03455	72.4
82.03762	1.2
87.00907	1.3
89.02451	3.2
92.28141	0.8
95.01376	5.4
95.05055	0.9
98.20686	0.8
108.02168	0.9
115.69781	0.7
119.03478	1.0
121.02946	1.1
123.04526	100.0
124.04866	2.0
125.63596	0.9
137.02417	1.1
147.81104	0.7
167.03464	8.6
178.37021	0.7
179.05632	1.3
209.06738	1.7
211.02470	62.4
211.07014	1.9
212.02859	1.6
212.43538	0.7
227.25697	0.7
341.10828	5.8
506.48364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15211	0.5
53.61258	0.4
55.01886	0.5
55.11471	0.4
57.03449	1.8
59.01376	13.5
61.98833	2.3
69.03437	0.5
69.49284	2.0
69.49690	0.8
71.01371	3.6
72.99319	1.1
73.02951	3.9
75.00904	0.5
78.95914	1.8
79.95744	1.2
83.01384	4.2
83.05014	0.9
85.02956	1.4
87.00883	1.0
88.98788	1.2
89.02454	0.9
93.03487	0.7
94.98098	0.6
96.96011	58.7
96.96897	2.2
97.02960	0.6
97.06625	0.8
98.19952	1.1
99.00838	0.5
99.04507	0.7
99.92611	0.9
101.02452	3.7
108.02176	27.4
109.02986	1.4
109.06597	0.6
113.02464	2.0
113.92624	0.6
114.93403	1.3
115.92091	0.8
116.92871	1.9
119.03490	0.8
119.05048	0.5
119.08618	0.8
121.02952	0.7
121.05816	0.5
121.06635	1.0
122.06119	0.6
123.04528	12.7
125.02428	0.8
125.06070	0.8
134.03737	1.0
135.04533	1.6
135.08160	1.0
137.09731	2.8
141.05574	0.8
149.04523	0.7
149.06053	0.5
152.01154	61.6
152.07172	1.2
153.01738	2.2
161.02493	1.3
161.04581	1.2
161.09735	2.0
163.07648	3.6
165.09222	0.7
167.03493	100.0
168.03839	2.3
177.09059	0.6
179.03534	0.8
179.10756	1.9
181.08687	5.5
193.04974	1.4
197.11813	3.0
203.10785	1.0
205.08676	1.2
221.11806	0.7
223.09706	6.2
241.10788	4.5
247.09709	2.2
265.10727	2.3
281.09232	0.6
283.11884	1.8
289.10806	1.2
307.11914	1.2
325.12909	2.4
331.19086	0.9
341.10974	0.8
349.20245	1.1
385.15018	8.9
467.10690	0.5
478.19757	0.8
522.18835	1.0
553.12701	0.7
553.19183	18.5
554.19397	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34420	0.3
54.89454	0.3
57.03452	2.3
58.99333	0.3
59.01379	36.5
61.98819	3.1
71.01374	3.1
71.07037	0.7
72.98392	0.4
72.99301	1.1
73.02940	0.7
77.04275	0.3
78.95904	0.4
79.95707	0.5
83.01373	0.7
85.02959	1.2
87.00848	0.4
87.04520	0.4
89.02447	1.4
93.03437	0.6
95.05021	0.3
96.96012	13.7
101.02438	2.8
108.02204	0.5
109.02952	0.5
113.02446	2.6
116.92822	0.5
119.03537	2.0
119.05040	0.8
121.02942	0.6
121.06628	0.5
123.04536	0.5
135.04501	1.1
137.09712	10.8
139.04045	0.5
152.01129	0.5
153.05533	0.4
157.78581	0.3
161.02391	0.8
161.04483	1.6
163.03970	0.6
165.05524	1.2
173.04613	0.5
179.03442	0.7
181.05069	0.6
231.17282	0.4
234.90900	0.3
253.15918	4.3
267.17609	0.5
269.19083	12.5
270.19260	0.6
270.60339	0.3
287.20154	4.2
299.20206	0.7
305.21286	0.8
311.20251	0.5
317.21173	0.5
329.21243	1.0
331.19119	100.0
332.19443	6.6
343.18982	1.9
345.20667	14.3
346.20895	0.8
349.20511	0.4
367.18903	0.4
373.20157	21.2
374.20355	1.3
385.20102	1.0
391.21402	0.4
403.21143	0.7
417.19135	1.8
433.22293	6.7
434.22250	0.5
493.24463	3.4
553.18689	0.5
553.26483	5.2
553.33679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	10.2
59.01114	4.8
59.01382	72.0
61.98826	30.7
71.01369	25.7
71.51974	3.8
72.99300	15.8
73.02940	12.6
78.95904	8.3
79.85377	3.4
85.02946	13.8
89.02443	13.4
89.13390	3.8
93.03455	8.0
96.96014	27.8
97.40800	3.3
99.04525	6.0
101.02428	26.1
107.04996	5.4
108.11784	3.7
109.02934	16.4
113.02426	15.7
119.05007	12.7
121.02976	19.6
123.04487	11.5
133.02940	10.4
134.03708	4.6
135.04539	26.2
137.02452	8.1
139.04005	6.1
149.02490	3.5
153.01971	6.7
153.05568	9.3
161.02458	18.3
161.04543	10.7
163.03935	8.5
163.07678	3.4
171.10188	4.2
173.04538	11.6
175.04102	3.7
179.03442	10.7
181.05057	5.6
193.05031	6.5
197.04440	5.8
204.31302	3.6
211.13374	8.1
227.12775	8.1
239.07104	4.0
251.06924	4.1
269.19150	9.9
287.20126	8.7
303.19595	4.9
311.05536	6.5
313.18060	14.3
327.19635	6.2
329.23340	13.4
331.19162	79.2
331.23132	7.5
345.20706	67.6
347.18600	7.7
349.20090	32.5
355.18890	6.0
373.09567	7.3
373.20190	100.0
374.20453	6.9
389.25244	3.8
391.10229	3.7
391.26254	8.1
433.22165	13.6
482.33603	3.9
493.24432	42.4
511.25189	5.5
535.20422	4.2
553.25897	41.9
553.33820	6.3
554.30811	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	553.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.2
57.45701	0.3
59.01379	33.0
60.01697	0.5
61.98828	3.5
70.22536	1.8
71.01377	2.9
72.99305	0.8
73.02927	1.0
78.95918	0.6
83.01395	0.6
85.02950	1.2
85.06586	0.5
89.02446	1.5
95.01375	0.8
96.96014	1.4
97.06590	0.8
98.19952	0.6
99.04510	0.5
99.08163	0.5
101.02435	3.3
109.02959	0.7
113.02461	2.7
119.03487	1.7
119.05025	5.8
120.05383	2.2
123.04536	0.9
135.04510	1.7
137.02484	0.9
137.09709	1.9
139.03998	0.8
151.11176	0.5
161.02437	1.8
161.04514	0.8
163.03992	3.2
164.04373	1.2
165.04488	0.6
168.00688	0.7
171.10291	0.5
173.04662	0.5
179.03517	1.0
183.03003	1.0
215.07536	0.5
269.19086	13.1
270.19421	0.9
287.20102	4.5
299.20288	0.9
317.21130	0.7
329.21191	1.0
331.19128	100.0
332.19437	5.4
343.19150	1.8
345.20685	14.7
346.21069	0.6
349.20224	0.9
372.49350	0.5
373.20154	16.5
374.20526	1.3
385.20245	0.8
391.21017	0.5
402.81741	0.4
403.21237	0.9
417.19296	1.1
433.22311	4.5
493.24368	2.9
535.20764	0.6
553.21155	2.4
553.26648	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.8
61.98837	2.1
63.96244	0.6
64.97015	0.4
66.15540	0.4
69.03453	0.6
70.03207	0.4
70.83558	0.7
70.83921	0.7
71.01383	6.0
73.02961	1.9
78.95904	0.5
78.98584	5.0
79.95734	8.8
80.96518	59.0
81.03436	0.9
85.02946	2.0
87.00863	2.2
94.98089	13.3
96.95989	0.8
97.02950	1.4
99.00891	0.5
101.02451	2.9
106.98087	2.7
122.97591	4.7
125.02460	2.1
127.04025	0.7
134.97595	3.8
136.99139	1.1
148.99155	6.2
152.98634	7.1
164.98634	10.7
182.99736	2.0
206.99683	2.9
225.00740	18.0
242.05573	0.4
242.08052	0.4
243.01851	1.6
253.21730	3.3
262.06949	0.4
279.23285	10.9
299.04440	3.0
317.05621	0.4
453.29028	0.4
504.31046	4.5
553.26849	100.0
554.27191	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	553.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
57.35223	0.4
59.01385	0.6
61.98829	1.0
63.39010	0.5
67.01891	0.5
69.03450	8.3
69.85776	2.2
71.01369	1.1
71.05019	2.2
81.03479	0.6
83.05032	0.7
97.02923	0.6
97.06591	1.4
98.20708	0.5
98.46883	0.5
99.00896	0.5
108.02179	0.4
123.08171	2.9
125.09715	4.0
136.85049	0.4
137.09686	0.8
147.75423	0.5
149.09686	0.7
151.11282	6.6
153.12805	2.2
161.09718	10.3
179.10762	33.3
180.11087	0.7
197.11816	76.8
198.12109	2.1
223.09761	4.4
229.63661	0.4
241.10802	12.4
255.23273	81.6
256.23605	2.7
297.13354	7.3
315.14435	14.7
316.14868	0.6
332.79852	0.5
409.17883	0.5
553.37421	100.0
554.37750	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	554.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98829	16.5
63.94114	0.2
69.72393	1.3
72.99304	0.3
78.95898	1.5
80.96522	0.4
82.01810	0.2
93.03475	0.5
107.05055	0.4
109.02943	2.3
113.53580	0.3
117.03455	0.3
121.02966	1.0
133.02953	5.6
134.03725	1.0
135.04520	64.6
136.04858	1.4
145.02950	0.7
145.34207	0.3
149.02435	5.6
150.03209	1.9
161.02434	26.4
162.02771	0.5
171.00653	0.8
173.02432	0.4
173.04521	0.4
174.03217	0.4
179.03488	100.0
180.03815	2.2
201.02069	0.3
205.01363	0.3
211.07643	0.4
238.06174	0.4
239.06990	0.8
249.05569	0.6
250.06306	0.4
255.06631	0.3
266.05829	0.3
267.06595	17.1
268.07047	1.0
283.06119	1.8
293.04279	0.3
297.07651	0.8
311.05594	23.0
312.06137	1.2
313.06927	0.3
326.00601	0.3
341.02481	0.6
341.06635	8.2
491.09772	3.9
492.10229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77560	0.5
55.84041	0.4
60.67463	0.4
61.98827	17.6
81.91698	0.4
96.96010	0.6
109.02927	3.4
121.02949	0.9
133.02956	4.0
134.02565	0.4
134.03691	1.2
135.04518	67.8
136.04820	1.6
139.04066	0.5
145.02934	0.6
147.08261	0.4
149.02449	3.1
150.03200	1.2
159.04489	0.6
161.02428	15.2
174.03212	0.6
179.03485	100.0
180.03851	2.4
201.01880	0.8
211.07706	1.1
222.06708	0.6
239.07199	0.7
248.04829	0.4
249.05464	0.6
250.06380	1.7
266.05780	1.1
267.06604	28.3
268.06961	1.1
270.93234	0.5
283.06241	3.0
311.05591	38.7
312.05966	1.7
313.07190	0.8
341.02951	0.5
341.06631	2.7
438.95773	0.5
447.10800	2.2
473.10577	0.5
491.09778	3.4
544.62634	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12347	0.3
59.01370	0.7
61.98831	0.6
70.03519	0.9
71.01392	1.0
78.95902	5.6
78.98589	0.6
79.95751	1.2
80.17572	0.3
80.96516	8.5
82.96090	0.5
87.00905	0.4
94.98077	1.3
105.09350	0.3
106.98079	0.4
107.15411	0.3
108.89360	0.3
122.97637	0.7
125.02444	0.5
134.97560	0.7
137.95993	0.3
148.99127	0.4
152.98596	0.9
152.99669	0.8
164.98618	1.3
168.04289	1.7
175.87061	0.3
206.99542	0.4
224.06949	1.0
225.00703	2.4
226.00990	0.6
242.07954	2.4
261.22098	0.3
275.98639	0.4
279.23267	100.0
280.23557	5.0
280.26306	0.4
324.96497	0.3
473.77225	0.3
504.30939	39.8
505.31235	2.7
554.27136	16.0
555.26855	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	554.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98805	0.7
64.40570	0.4
70.27187	0.8
70.27574	1.1
71.01384	0.5
73.29599	0.4
76.83681	0.4
78.95901	22.9
79.95739	1.0
80.96515	5.0
91.79764	0.5
94.98086	1.1
98.20522	0.6
134.97560	0.5
152.99593	3.8
160.94191	0.5
168.04314	4.1
193.80287	0.5
224.06895	9.9
225.00740	1.1
242.07912	2.8
242.10101	0.4
279.23267	100.0
280.23642	4.3
347.56793	0.5
368.19080	0.5
504.30945	82.1
505.31183	5.8
554.27014	10.1
555.26837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93636	0.7
59.01376	6.0
61.98824	2.3
64.51028	0.8
71.01382	2.3
71.51286	1.5
72.99307	14.3
81.03449	1.0
81.82720	0.9
87.00848	1.2
93.03462	2.0
95.04969	0.9
96.95978	1.0
99.00941	1.2
101.02422	1.1
107.05019	1.3
108.02165	1.3
109.02944	69.2
113.02413	1.3
113.03979	0.8
121.02972	3.5
123.04514	8.1
133.02940	8.6
134.03728	3.5
135.04520	67.9
136.04848	1.4
137.02415	1.5
145.02969	3.0
147.04492	4.3
147.92299	0.8
149.02473	1.4
151.03989	5.9
157.02959	4.2
158.03671	1.5
159.04494	16.3
161.02441	14.7
162.03273	1.3
163.04024	1.6
171.10265	0.8
173.02441	7.8
174.03218	1.0
175.03983	3.3
177.01920	2.4
177.03990	1.1
177.05540	1.9
179.03497	38.3
185.02420	51.8
186.03209	7.2
197.04520	12.8
203.03520	9.3
204.99722	1.0
213.09225	1.6
215.10809	0.9
221.04538	2.5
223.07590	3.1
225.09138	2.0
239.07079	2.0
241.08598	5.4
251.07161	2.5
253.04953	1.8
267.06613	2.6
268.96725	1.0
269.08182	6.6
277.04849	1.9
280.03726	1.7
285.07559	1.2
288.29416	0.8
293.04749	1.6
295.06088	100.0
296.06372	6.0
313.07162	14.8
339.04852	1.4
357.06189	5.5
359.07404	1.1
486.52969	0.9
493.11179	4.5
495.25925	0.9
569.05408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80995	0.3
55.01889	0.4
57.03433	1.4
58.00582	0.4
59.01376	8.6
67.60528	0.3
69.72139	0.9
69.72567	1.0
70.04932	0.3
71.01367	2.7
72.99287	0.3
73.02949	5.0
73.03347	0.4
76.98277	0.3
80.02692	0.5
80.96499	0.6
83.01386	6.8
85.02940	0.8
87.04533	1.0
89.02451	0.4
89.82172	0.3
95.01382	0.4
95.05040	0.5
96.95982	0.4
97.02991	0.5
98.19993	0.6
99.04474	0.6
99.92559	0.6
101.02439	3.8
108.02166	28.7
109.06577	1.0
113.02438	0.6
116.92863	2.3
123.00960	0.4
123.04517	12.2
125.02465	1.0
125.06026	0.4
127.07592	0.4
137.06009	0.3
137.09700	0.5
139.07611	0.4
139.11278	6.2
141.12804	0.4
143.03508	0.3
151.11256	0.6
152.01143	64.3
153.01633	1.2
163.11250	0.8
165.09216	0.8
167.03484	100.0
168.03812	2.6
169.12323	2.0
179.10745	1.5
181.12361	2.6
183.10249	11.3
184.10631	0.4
195.13902	0.4
197.11769	1.7
199.13409	0.6
203.04686	0.4
225.11296	11.5
226.11705	0.4
231.10242	0.5
239.12816	0.6
243.12350	12.0
244.12627	0.5
249.11275	1.7
267.12308	2.7
285.13358	1.9
287.49307	0.3
291.12299	2.5
309.13507	1.2
327.14444	4.3
333.20691	1.0
387.16568	12.9
388.16702	0.5
417.23853	0.4
446.44034	0.3
499.94849	0.4
511.20566	0.3
541.62488	0.4
555.20825	10.9
556.21423	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
58.00574	0.8
59.01379	22.6
61.98827	7.2
69.33926	0.7
71.01384	7.5
71.52159	0.8
71.52543	0.9
72.99313	3.2
73.02940	3.3
74.79782	0.8
78.95881	0.7
80.02717	0.7
81.03476	1.0
83.01405	1.2
83.05006	5.4
85.02953	2.2
87.00878	0.9
88.98790	1.5
89.02446	6.1
93.03448	1.0
95.05014	1.6
96.96008	5.7
101.02461	7.1
109.02919	0.8
113.02467	4.4
119.03495	1.0
119.05011	1.1
123.04520	11.6
125.02423	0.7
134.03722	0.8
135.04539	1.7
135.08130	1.0
139.11307	1.2
145.02921	1.0
149.02435	1.1
151.04071	0.7
161.02443	1.6
161.04552	3.3
163.11275	2.2
165.12785	1.9
167.03577	0.9
173.04500	1.2
179.03522	1.4
181.12372	0.8
183.10205	2.0
187.07605	1.3
202.06354	2.7
209.11812	100.0
210.12190	3.0
213.14482	0.7
225.11360	1.0
227.12863	14.3
231.10217	3.8
253.09247	14.1
313.07202	1.2
351.21725	0.9
410.76733	0.7
411.16595	8.4
445.20828	2.5
453.17511	3.1
463.22083	0.8
495.25793	2.6
555.20447	15.1
555.27655	2.9
556.20917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2809
Annotation	Tricalysioside K
Peak:m/z	Relative Intensity
55.01866	1.7
57.03438	3.0
58.00571	1.1
59.01379	80.1
60.88386	0.7
61.98825	4.3
70.74467	0.7
70.74801	1.6
71.01379	33.1
72.99303	2.9
73.02941	8.3
75.00851	0.9
79.95717	1.2
80.96509	4.3
83.01389	4.1
85.02950	10.6
87.00869	1.6
88.98828	1.0
89.02440	19.9
89.79291	0.7
94.98112	1.3
95.01399	3.2
96.95998	5.0
97.02925	1.1
99.00878	1.9
99.04476	1.2
99.92585	1.0
101.02437	26.1
109.02957	1.2
113.02447	13.5
115.92075	1.3
116.92834	7.1
119.03503	7.7
121.02896	0.9
123.04537	2.7
125.02448	1.4
131.03479	1.4
135.04509	2.8
136.84877	0.6
142.54816	0.7
143.03476	0.9
149.04628	0.9
153.05560	1.0
159.02980	2.1
161.04561	10.3
164.98650	1.1
173.04642	1.0
179.03464	1.1
179.04219	0.7
179.05589	5.9
183.10333	0.8
206.57269	0.7
225.00745	1.8
258.65033	0.7
273.18289	0.8
315.19836	3.5
316.16873	0.9
318.18362	3.0
333.20670	35.1
334.21051	1.8
347.22122	0.8
351.21674	1.5
375.21735	1.4
484.09872	0.8
495.25986	100.0
496.26389	7.6
555.17358	5.7
556.18854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2838
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
54.13793	0.4
57.03432	0.4
58.50862	0.4
59.01375	0.8
63.96235	1.4
69.03424	0.5
69.20110	4.2
71.01373	7.2
72.99301	0.5
73.02945	1.6
78.97060	0.4
78.98589	5.3
79.95733	12.1
80.96515	75.5
81.03452	0.6
81.36895	0.4
85.02942	3.0
87.00884	2.1
94.98080	16.1
96.96008	0.9
97.02949	1.3
99.00888	0.8
101.02396	2.8
106.98074	3.5
113.02478	0.4
114.35500	0.4
122.97562	5.6
125.02425	2.4
134.97586	4.4
136.99181	1.1
148.99132	5.9
152.98618	5.9
164.98618	8.2
182.99655	1.9
203.26297	0.4
206.99684	2.2
225.00719	10.1
243.01692	1.2
255.23329	1.4
299.04474	1.9
555.28381	100.0
556.28741	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	555.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32222	0.7
53.29320	0.7
57.03413	1.0
61.98824	1.1
70.78262	2.1
71.01396	1.6
71.05013	3.9
76.89529	0.9
86.40268	0.9
94.76089	0.7
97.02958	1.8
97.06589	1.7
99.00889	11.1
109.06574	1.3
116.34756	0.9
123.08170	1.1
125.09735	7.2
127.11284	0.9
142.02724	0.8
163.11263	7.5
181.12337	12.9
197.11687	1.0
199.13382	29.2
200.13965	1.1
207.10254	19.7
207.12192	1.1
225.11292	44.1
226.11594	1.9
243.12346	9.9
255.23270	61.8
256.23709	1.9
279.23236	1.9
299.14917	3.2
317.16010	10.9
352.73608	0.8
555.38971	100.0
556.39264	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	557.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95681	1.5
54.14872	1.2
56.72324	1.1
57.03450	61.5
57.23013	1.1
59.01378	100.0
61.98832	17.5
66.81892	1.2
69.30552	1.2
69.60919	4.5
69.61312	2.7
71.01374	23.1
72.99315	1.5
73.02945	14.7
78.95869	1.7
79.05536	1.2
81.03452	1.5
83.01374	6.1
83.05034	2.2
85.02944	4.7
85.90501	1.2
89.02427	7.7
95.01346	1.2
95.44968	1.1
96.95997	2.6
97.06583	2.4
98.19991	2.3
99.04518	40.1
101.02447	29.9
113.02465	8.5
113.03140	1.4
113.06091	1.8
119.03496	3.0
123.04543	6.7
125.02453	25.1
133.02916	2.3
135.04506	1.5
137.09729	15.8
138.24844	1.3
143.03520	2.8
161.02429	4.2
161.04543	10.0
163.04050	1.4
171.10291	1.5
173.04608	1.5
179.05571	3.4
181.05257	1.1
189.16534	1.8
203.05571	2.1
251.16502	74.5
252.16818	3.8
263.07758	5.6
265.18192	1.9
275.16483	3.1
291.19595	7.5
293.17551	1.6
305.08829	3.8
323.09842	13.5
389.15762	1.5
413.21545	6.6
453.25049	2.2
455.22751	4.4
471.25955	3.6
495.25888	3.8
513.26984	70.1
514.27423	5.3
557.26245	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	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15534	0.7
55.85500	0.6
57.03431	1.3
57.38218	0.7
59.01378	3.4
61.98586	0.7
61.98833	7.6
69.03457	6.3
70.99881	1.5
71.01382	2.3
71.05005	2.1
72.99286	0.7
80.02666	1.1
81.03456	2.0
83.01394	1.1
83.05025	4.9
84.02172	1.5
89.02409	1.1
91.04001	2.4
93.03467	1.0
94.97994	0.8
95.05016	1.0
97.06583	1.8
99.00887	0.8
116.92789	0.7
118.07293	0.6
119.05019	1.0
123.08142	2.6
125.09739	4.0
130.31964	0.7
133.02959	0.7
135.04541	1.5
135.08122	1.2
136.15068	0.8
137.09727	0.9
149.09746	0.8
151.11276	4.0
153.12827	1.7
155.26971	0.6
161.02437	2.8
161.09663	5.9
163.11278	4.1
165.12852	1.9
171.10248	0.7
179.10773	18.5
185.11803	1.1
191.10811	0.9
195.13895	0.8
197.11835	65.2
198.12146	1.6
209.11830	51.6
210.12117	1.6
211.66019	0.7
223.09793	2.7
227.12862	5.5
241.10835	8.3
293.21191	7.3
297.13513	4.2
315.14426	9.7
353.23215	1.6
459.77530	0.8
463.26727	1.1
507.25833	1.1
525.27032	100.0
526.27350	7.8
557.29565	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	557.2962
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
53.31714	0.5
55.01868	0.7
57.03449	1.1
58.00598	0.7
59.01377	100.0
61.98826	20.9
69.32664	1.4
69.33086	2.8
71.01380	26.6
72.99318	0.9
73.02943	7.4
75.00876	0.6
83.01402	4.4
85.02948	10.1
87.00900	1.5
89.02441	15.7
92.50476	0.6
94.22591	0.5
95.01395	1.8
97.02956	0.7
98.19842	1.0
99.00891	2.3
101.02440	21.6
113.02442	11.2
119.03503	5.2
119.04266	0.9
123.04499	0.6
125.02428	0.6
131.03526	0.6
135.04549	0.6
138.15863	0.6
143.03519	3.0
158.87117	0.6
159.03006	2.3
161.04546	15.2
179.05556	4.5
209.11844	0.6
335.22220	7.2
397.12479	0.6
410.72580	0.7
469.31644	0.5
497.27539	87.0
498.27750	7.3
561.70911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01880	0.9
57.03440	2.2
58.00591	0.9
59.01376	100.0
60.01702	0.5
61.98825	4.7
69.03462	0.5
69.21539	0.3
69.55744	0.9
69.56155	1.0
71.01379	24.1
72.99307	1.2
73.02942	6.8
75.00883	0.3
81.03468	0.3
83.01379	3.4
85.02950	9.7
87.00878	1.4
88.98812	0.6
89.02442	12.6
93.03461	0.5
95.01374	1.9
96.96014	2.5
97.02959	0.6
99.00878	2.5
99.04504	1.5
99.92600	0.6
101.02438	20.6
109.02980	0.4
113.02448	11.0
115.92088	0.5
116.92841	2.3
119.03484	4.9
123.04524	6.8
125.02453	1.5
131.03500	1.0
135.04514	0.8
137.02365	0.4
137.09683	0.6
143.03514	2.1
147.04543	0.4
149.04553	0.4
153.05569	6.2
155.10783	0.8
159.03000	2.0
161.02419	0.6
161.04544	11.9
161.05896	0.6
163.11357	0.5
173.04572	0.8
173.98920	0.3
179.05583	3.5
199.09767	0.4
217.10825	0.4
219.17490	0.4
239.03487	0.5
260.81265	0.3
275.20148	0.4
279.06583	0.3
279.19565	4.1
317.94232	0.3
333.20496	0.5
335.18719	0.5
335.22171	3.8
353.10049	1.6
397.22552	0.3
441.24942	2.4
497.27518	82.8
498.27795	6.2
515.21313	0.6
516.72333	0.4
557.22192	4.2
557.29852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.4
57.03444	1.2
58.00588	0.9
59.01377	100.0
60.01730	0.5
61.98829	34.4
69.43575	2.5
71.01379	23.5
72.99300	1.7
73.02943	6.3
75.00871	0.8
76.13252	0.5
77.34637	0.4
80.96488	0.6
83.01369	2.8
85.02948	9.2
87.00879	1.9
89.02441	11.2
95.01389	1.6
96.96023	2.2
97.02925	0.8
98.20722	0.9
98.95600	1.2
99.00881	3.0
99.04510	0.7
99.92582	5.2
100.92607	0.6
100.93346	0.9
101.02441	19.7
108.02180	0.5
109.02960	0.8
113.02442	11.4
115.92075	8.7
115.92830	0.8
116.92856	33.0
117.92867	1.1
119.03499	4.7
123.04513	0.6
125.02449	0.9
129.01942	0.6
131.03503	1.0
135.04501	2.0
143.03491	1.5
149.04500	0.5
153.01933	1.5
159.02969	1.7
160.06659	0.5
161.04547	11.8
165.88850	0.4
173.04558	1.2
179.03397	1.0
179.05608	3.6
184.91896	0.8
186.81926	0.5
197.04564	0.9
198.31351	0.5
209.11758	0.7
228.84024	0.5
243.01064	0.5
333.20483	0.8
335.18530	0.7
335.22269	10.3
336.22528	0.6
387.55054	0.5
413.88220	0.5
453.12048	0.7
471.13052	0.8
495.13528	0.6
497.27533	79.7
498.27814	6.2
513.14331	1.6
521.11121	0.5
525.16553	0.8
557.13086	5.4
557.21405	1.4
557.29816	0.8
558.13141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14962	0.5
55.01873	2.1
57.03445	1.6
58.00591	0.9
59.01377	100.0
60.67912	0.4
61.98828	22.5
69.03479	0.7
70.84531	0.9
71.01379	23.5
72.76154	0.4
72.99310	1.4
73.02940	6.6
75.00858	0.9
83.01385	4.1
85.02947	11.1
87.00883	1.7
89.02449	5.2
95.01394	1.8
96.96009	0.7
97.02943	0.8
99.00886	3.0
101.02435	23.9
107.57954	0.4
109.02938	0.5
113.02450	9.6
115.92085	0.6
119.03493	2.0
121.02980	0.7
123.04553	0.7
125.02419	1.4
130.24664	0.4
135.04529	1.3
137.34055	0.4
143.02501	0.5
143.03436	2.1
152.01140	0.6
153.05521	0.8
159.02986	3.4
161.04543	22.7
162.04794	0.5
179.05669	1.0
197.04539	0.5
209.11797	0.9
221.06555	0.7
275.20087	0.6
303.02014	0.5
333.20801	0.6
335.18320	0.9
335.22253	13.4
336.22534	0.7
379.21390	0.5
406.41492	0.6
438.60208	0.4
497.27524	64.6
498.28043	3.9
557.18781	1.8
557.29462	1.7
559.05786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2963
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
52.02277	0.8
55.01871	1.7
55.97747	0.7
57.03435	2.4
59.01378	100.0
61.98829	9.8
71.01379	43.0
72.99309	2.8
73.02945	8.8
74.90749	0.8
75.00880	1.6
78.95902	1.4
80.96564	1.1
82.01190	0.8
83.01389	4.9
85.02948	15.8
87.00889	3.5
89.02443	27.3
93.03481	1.4
95.01399	2.7
96.09641	0.9
96.96043	1.3
99.00874	4.5
100.49361	1.0
101.02440	34.0
102.25976	0.8
108.02137	1.1
109.02955	2.3
113.02448	19.2
113.03176	1.6
115.15540	0.8
116.92888	1.2
117.23534	0.8
119.03492	14.9
123.04492	1.8
125.02425	1.4
131.03468	1.6
133.02971	1.0
135.04510	4.5
143.03503	5.0
149.04465	1.3
152.01146	1.1
153.01929	2.1
159.02974	2.9
161.02502	1.3
161.04550	25.9
173.04475	2.3
179.03494	1.8
179.05592	11.2
183.03618	0.9
191.05569	1.0
197.04555	1.4
243.02985	4.1
255.06697	0.9
257.04529	1.2
270.01764	1.3
271.02554	4.0
285.04138	1.4
286.04639	0.9
314.04288	6.6
315.04770	1.2
319.89810	0.9
335.18631	1.1
335.22269	9.3
378.29425	1.0
379.21490	1.3
477.10291	13.9
478.10617	1.4
497.27545	99.2
498.28036	7.5
557.06250	1.6
557.18555	4.4
557.28540	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2964
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
55.01893	0.8
57.03446	1.6
58.00607	0.8
59.01378	100.0
60.01697	0.6
60.62664	0.5
61.98829	4.1
71.01381	20.5
71.52119	0.6
72.99310	1.7
73.02944	7.7
74.45874	0.5
76.39249	0.6
78.95930	1.0
83.01395	2.5
85.02954	6.3
87.00884	1.3
88.98846	1.2
89.02444	12.6
95.01409	1.9
96.95995	2.6
97.38580	0.5
99.00893	2.6
99.04516	1.1
101.02440	17.3
108.01045	0.5
109.02976	0.6
111.00885	0.6
113.02451	7.6
115.92039	0.8
116.92876	2.2
119.03510	5.0
119.04988	0.5
123.04503	0.6
125.02416	0.6
131.03496	1.1
135.04495	3.0
139.11324	0.9
143.03526	1.9
159.03012	1.1
161.02464	2.7
161.04538	7.7
163.03958	0.6
171.10327	1.2
173.04573	1.8
179.03485	1.2
179.05576	3.2
213.55562	0.5
241.16040	0.6
257.19101	1.1
259.17090	0.6
275.20364	1.2
281.04321	0.6
282.66571	0.6
317.21173	1.3
319.19128	0.9
329.23151	0.8
335.22232	10.1
353.23380	1.4
377.23459	0.7
497.27545	82.2
498.27823	5.7
515.28772	1.6
557.12897	0.7
557.29358	9.0
558.29962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03440	1.7
57.08124	0.3
59.01378	100.0
60.01711	0.5
61.98829	7.0
69.28782	3.0
71.01382	12.8
72.99310	0.6
73.02939	4.2
75.00890	0.4
83.01385	1.7
85.02946	5.6
87.00888	0.7
88.98800	0.7
89.02451	2.3
94.94672	0.3
95.01381	0.6
96.96021	0.5
97.02956	0.7
99.00867	1.7
99.04535	1.3
101.02443	9.9
113.02452	5.9
115.92088	0.6
116.92851	1.6
125.02471	1.5
131.03552	0.3
135.04619	0.6
143.03477	0.8
159.02992	2.3
161.04558	15.8
168.00662	0.8
173.04570	0.6
180.18019	0.3
189.12878	0.3
197.04483	0.4
205.03571	0.6
260.62219	0.3
305.21210	6.3
306.21140	0.4
335.22330	1.1
343.72726	0.4
349.23615	0.6
497.27539	16.5
498.28271	0.8
541.26587	2.4
557.21521	0.8
557.30017	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	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.0
57.03453	1.5
58.00592	0.9
59.01378	100.0
60.01690	0.7
61.98832	15.5
65.78832	0.3
67.01972	0.3
71.01383	26.9
71.51414	0.5
72.99308	1.6
73.02554	0.3
73.02941	7.2
83.01384	3.8
85.02947	10.6
87.00853	1.7
88.98796	0.3
89.02445	16.2
95.01373	1.9
96.96014	0.4
97.02993	0.5
99.00874	2.8
101.02444	22.4
113.02453	10.9
119.03515	6.1
123.04564	0.9
125.02460	0.6
131.03493	0.6
133.02917	0.4
135.04512	0.8
143.03490	2.4
149.04547	0.6
153.05609	0.6
159.02989	2.3
161.04558	15.2
169.01407	0.3
173.04543	0.5
179.05602	4.3
188.62566	0.3
205.03575	0.3
212.14551	0.4
243.03223	0.3
335.18341	0.5
335.22272	8.0
374.20596	0.4
379.21277	0.6
392.89774	0.4
497.27542	82.9
498.27856	7.3
557.22131	1.0
557.30060	0.4
579.53259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78158	0.2
57.03444	0.2
59.01381	3.4
61.98828	100.0
67.59842	0.2
71.01381	1.7
71.51446	0.3
72.99309	0.3
73.02950	0.7
78.95901	0.3
78.98607	0.7
79.95755	0.7
80.96517	4.9
83.01396	0.3
85.02955	0.5
87.00880	0.5
88.55563	0.2
88.98829	0.4
89.02449	0.7
93.03475	0.2
94.98074	1.2
95.01419	0.2
95.51171	0.2
96.96013	0.3
97.02962	0.3
101.02450	1.2
102.05603	0.2
108.02214	0.2
109.02944	0.2
113.02469	0.5
116.92837	0.2
117.03438	0.2
122.97600	0.2
123.04535	0.9
125.02446	0.3
128.03546	0.3
132.02188	1.0
133.02925	0.3
134.03745	4.0
134.97575	0.3
135.04521	0.5
136.99129	0.2
137.02441	0.4
143.99174	0.3
147.04475	0.2
148.99104	0.3
149.06120	0.7
152.01172	0.6
152.98573	0.3
153.05540	0.9
160.01656	3.7
161.04558	0.2
164.98640	1.3
173.04578	0.4
175.03993	5.9
178.02773	0.4
179.05638	0.2
193.05023	4.1
197.04593	0.4
202.58180	0.2
206.99640	0.3
209.11807	1.3
212.22893	0.2
225.00729	1.3
227.12875	0.2
241.14342	0.4
265.07114	0.3
319.08292	0.3
337.09222	1.2
341.08896	0.7
465.10684	0.2
466.21817	0.4
472.18149	0.2
484.23224	0.4
486.60239	0.2
495.15106	0.5
498.27881	0.4
499.14587	0.5
517.15912	0.4
527.18201	0.3
558.18707	0.4
558.26318	0.4
559.21381	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	558.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78573	0.2
59.01377	3.3
60.79982	0.2
61.98829	100.0
66.22689	0.2
67.01917	0.2
71.01385	0.6
71.52180	0.2
72.99306	0.3
73.02930	0.3
78.95913	0.4
83.01395	0.3
88.98842	0.2
89.02444	0.4
94.98093	0.3
96.96018	0.6
99.04534	0.2
99.92568	0.2
101.02461	0.7
113.02499	0.4
116.92908	0.3
119.23489	0.2
123.04539	0.4
134.03763	0.5
135.04529	0.6
137.02315	0.2
152.99626	0.3
160.01656	0.6
161.04561	0.4
170.03322	0.2
173.04565	0.3
175.04074	0.6
179.03493	0.2
186.89432	0.2
193.05093	0.5
256.79944	0.2
260.88638	0.2
271.09714	0.4
320.54984	0.2
498.27863	0.6
559.16388	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	559.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55899	0.4
57.03448	0.8
59.01381	2.3
61.98822	0.6
63.96240	0.8
64.39318	0.4
64.84478	0.3
66.54571	0.3
69.03445	0.6
71.01376	5.3
71.32111	0.8
73.02943	1.7
78.98584	4.4
79.95731	6.6
80.96515	48.9
83.01426	0.6
83.05018	0.4
85.02954	2.3
87.00883	1.9
94.98083	11.7
96.95990	0.7
97.02950	1.3
99.00916	0.5
99.04517	0.6
101.02443	2.7
106.98084	2.1
109.02949	0.7
113.02377	0.4
122.97589	4.1
125.02489	2.9
127.03996	0.8
134.97581	3.5
136.99107	0.9
148.99149	4.4
152.98608	5.5
161.04549	0.4
164.97325	0.7
164.98618	9.0
176.78111	0.4
182.99638	1.2
191.10788	1.1
206.99677	3.1
209.11848	4.3
210.12239	0.5
225.00729	17.2
233.54498	0.4
237.36339	0.4
243.01804	1.6
269.79868	0.3
297.47607	0.4
299.04410	2.1
519.31818	0.4
527.17810	2.1
559.20612	100.0
560.20734	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	559.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
57.95115	0.4
59.01375	6.0
60.35358	0.3
61.98821	1.7
62.36510	0.3
63.96221	1.3
69.03450	0.7
69.37272	2.9
71.01383	7.1
72.99307	0.5
73.02947	2.3
78.98588	6.0
79.95282	0.7
79.95735	7.9
80.96515	57.5
81.03468	0.9
83.01398	0.7
83.05054	0.4
85.02959	3.1
86.37160	0.4
87.00876	2.7
89.02431	0.5
90.14145	0.4
94.98078	13.2
96.96007	1.4
97.02934	1.3
98.19944	0.7
99.00877	1.0
99.04519	0.8
101.02440	3.2
106.98072	2.7
108.02139	0.7
109.02953	0.8
113.02425	1.2
117.03439	0.6
122.97593	2.6
125.02464	3.1
127.03940	0.5
132.02170	1.3
134.03741	4.9
134.97600	4.5
135.04535	0.8
136.99146	0.7
148.99117	5.6
149.06107	1.0
152.01184	0.8
152.29614	0.4
152.98622	4.8
153.05571	0.6
155.00270	0.4
155.77725	0.4
156.26122	0.4
160.01648	5.0
161.04562	0.6
164.98621	9.9
169.12323	0.5
175.03998	7.9
178.02730	0.6
193.05067	4.5
206.99644	2.0
209.11803	3.1
225.00735	18.2
299.04410	2.9
325.11331	0.4
337.09216	1.8
427.95279	0.4
469.17181	0.9
499.14786	0.6
513.16406	0.8
527.18219	3.0
559.20831	100.0
560.21338	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	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.0
59.01378	96.0
61.98822	4.7
69.03445	0.7
69.40465	5.3
71.01376	17.2
71.01781	0.8
72.99312	2.6
73.02944	12.2
77.66093	0.8
83.01399	3.1
85.02940	4.2
87.00883	1.1
89.02447	8.4
91.19256	0.9
92.03090	0.6
96.96030	1.3
99.00871	0.9
101.02438	13.2
113.01698	0.6
113.02425	3.8
114.21807	0.7
119.03515	1.9
133.02859	0.9
135.04486	1.4
143.03592	1.0
149.02461	1.0
157.09634	0.7
161.02434	0.8
161.04436	0.7
171.10318	0.8
173.04599	1.4
197.11864	1.1
232.11467	0.7
253.17912	0.9
293.21201	3.3
305.06763	0.7
321.10849	0.8
355.24445	0.9
360.92834	0.8
443.24747	0.9
455.26431	2.4
473.27594	4.7
496.30505	0.7
497.27530	4.7
499.28372	0.8
515.28558	100.0
516.28864	7.2
517.30090	0.8
559.14569	1.7
559.31335	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	559.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47212	0.6
55.22976	0.7
57.03443	3.9
59.01379	28.6
61.98834	4.9
66.20832	0.7
69.03456	1.5
69.61083	4.7
71.01384	13.5
71.05006	1.7
72.99294	2.2
73.02963	4.4
81.03481	1.3
83.01380	2.4
83.05026	1.1
85.02945	5.7
87.00867	4.8
87.04519	5.7
89.02454	4.1
92.68651	0.7
95.01364	1.4
97.02937	0.8
97.06576	0.7
98.20599	1.5
99.00872	5.1
99.04514	1.3
99.56805	0.8
101.02445	6.7
105.12695	0.7
113.02428	2.8
117.28041	0.9
119.05069	0.9
125.02445	1.3
125.09713	2.8
143.03514	0.9
161.02422	1.6
163.11270	3.2
165.12839	1.1
171.10149	0.8
181.12341	5.5
197.11815	1.2
199.13385	5.3
207.10284	5.7
209.11815	16.4
221.15182	0.8
223.17026	14.6
225.11304	14.3
227.12823	2.5
227.38298	0.8
232.66617	0.8
235.16920	1.6
243.12392	3.2
253.18120	1.3
275.20035	2.7
286.80072	0.8
293.21216	6.5
311.22260	18.9
317.15976	2.9
355.18921	1.0
455.26486	11.5
473.27554	21.9
474.27631	1.0
492.37631	0.8
515.28571	100.0
516.28687	7.9
527.28558	24.5
528.29126	1.8
559.31787	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	561.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17208	0.4
57.03442	2.5
59.01382	7.3
61.37173	0.4
61.98835	3.5
63.96242	1.2
69.03450	0.7
69.44265	0.4
69.90934	1.0
69.91330	1.0
71.01378	8.5
72.99300	0.7
73.02953	2.9
78.91906	0.7
78.95948	0.4
78.98590	4.7
79.95732	10.2
80.96516	59.0
81.03453	1.0
83.01364	0.9
85.02959	3.5
87.00890	2.2
89.02445	1.7
94.98087	12.7
95.01379	0.7
96.96010	1.6
97.02945	1.0
99.00869	0.7
99.04514	1.5
101.02434	5.0
106.98079	2.5
113.02435	2.0
118.81628	0.4
119.03491	0.5
119.04946	0.4
122.97565	4.3
125.02454	3.1
127.03992	0.9
134.97569	4.5
135.04492	1.2
136.99118	0.9
148.99132	5.0
152.98608	6.3
153.05539	0.4
161.02405	0.6
161.04549	1.4
164.98636	10.5
171.10263	4.2
172.06390	0.4
172.83420	0.4
175.03978	0.6
175.11232	0.7
176.98302	0.4
179.03502	0.6
182.99655	2.2
188.98674	0.4
191.05603	0.7
193.12390	0.5
203.96484	0.3
206.99727	2.8
209.11823	0.6
225.00731	19.8
243.01727	1.8
267.06650	0.9
299.04440	3.6
417.17670	4.2
459.18448	1.5
471.15381	100.0
472.15674	4.7
499.14804	1.4
501.16022	1.2
515.17761	0.8
525.16431	0.9
543.09961	0.5
543.17566	9.7
544.17694	0.6
561.18359	22.0
562.18707	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	561.1975
Annotation	Saframycin A
Peak:m/z	Relative Intensity
55.01882	0.8
57.03441	3.2
59.01376	28.7
61.98822	4.6
66.49384	0.4
68.99813	0.6
70.01448	0.8
70.01844	0.9
71.01376	8.8
72.99304	0.6
73.02938	4.7
80.96533	0.5
81.03445	1.0
83.01389	1.3
85.02950	6.5
87.00887	0.9
88.14719	0.3
89.02422	2.2
93.03429	2.1
95.01381	2.2
96.96020	3.0
97.02960	0.5
99.00885	1.3
99.04532	1.5
101.02431	5.3
106.82160	0.4
107.05053	0.5
108.02169	44.0
109.02951	29.8
111.04510	0.7
113.02435	3.7
119.03490	1.1
119.05013	0.4
121.02938	1.2
121.06643	0.4
123.00871	1.8
123.04510	1.2
125.02437	1.6
125.06085	0.8
133.02985	0.5
134.03702	0.4
135.00832	0.4
135.04510	1.4
135.08212	0.4
136.05293	1.1
137.02452	0.9
139.07628	0.5
139.99313	0.4
145.06606	0.4
149.06145	0.4
151.00400	0.5
151.04039	1.7
151.07622	1.1
152.01144	59.6
152.44301	0.3
153.01932	17.9
153.62268	0.4
159.03072	0.6
161.02487	0.9
161.04567	3.4
161.05824	0.7
163.03957	1.4
163.07693	0.6
165.01947	1.0
171.10356	0.4
173.04549	2.5
173.05914	0.7
175.03951	0.5
177.01967	0.6
179.03448	0.5
185.09781	0.7
187.07672	0.5
189.05537	0.6
189.09085	0.5
193.04877	0.4
195.02933	0.7
201.12811	2.7
202.10039	0.6
203.10716	0.8
204.11568	1.9
209.11829	0.6
215.07115	0.5
219.13914	3.3
225.04079	0.4
227.10851	0.7
230.09387	1.1
243.03017	0.4
245.11746	2.6
250.17171	0.4
255.16042	4.0
263.12854	1.4
271.02420	0.5
297.06107	0.7
299.01944	0.6
315.03888	0.8
315.07248	11.7
399.23718	0.4
417.21317	0.7
501.30661	21.5
502.30954	1.3
509.66086	0.5
561.19696	100.0
562.20093	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	561.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52385	0.1
55.01880	0.4
57.03443	0.6
58.00593	0.5
59.01378	18.2
61.98820	0.5
61.99126	0.1
64.42643	0.1
69.03441	0.4
69.15205	0.1
71.01380	7.5
71.05000	0.5
72.99312	0.8
73.02951	3.1
75.00859	0.2
83.01390	1.4
83.05013	0.2
84.02216	0.1
85.02943	3.6
86.00085	0.2
87.00874	1.8
87.04509	0.2
89.02444	1.5
93.03471	0.3
95.01389	0.6
96.95999	0.4
97.02962	0.3
97.06573	0.2
99.00886	0.9
101.02435	4.3
111.00869	0.2
112.01644	0.2
113.02441	2.1
113.03170	0.2
115.92071	0.2
119.03506	0.5
121.10201	0.3
124.01669	0.4
125.02438	0.5
125.09686	0.2
129.01930	0.3
135.04533	0.3
137.02405	0.2
139.11255	0.2
141.12828	0.3
143.03468	0.3
153.12746	0.1
155.03526	0.2
155.14381	0.2
159.03006	0.1
161.04564	0.3
169.12346	0.3
171.10266	0.8
173.04575	0.9
177.66541	0.1
181.12375	0.3
185.11819	2.8
199.13417	1.0
207.10194	0.2
209.11711	0.2
213.14984	0.3
225.11340	0.4
297.24313	0.7
303.23590	0.2
309.24319	1.4
311.25928	1.0
321.24390	0.7
323.25934	1.3
325.23843	0.8
325.27130	0.2
327.25357	11.6
328.25690	0.5
337.24088	0.2
339.25375	10.7
340.25748	0.5
341.26944	6.0
342.27286	0.3
353.27246	0.2
355.24774	0.6
355.75137	0.2
357.26425	34.9
358.26749	1.8
371.28052	0.4
381.26318	0.3
399.27386	0.9
471.29498	0.4
489.30811	0.8
501.30661	4.2
502.30484	0.3
517.30096	0.2
519.31714	10.3
520.32007	1.0
543.31506	0.3
561.32745	100.0
562.33069	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	561.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
57.03443	2.5
58.00580	1.7
59.01377	85.9
61.98841	4.3
71.01378	22.0
72.99300	2.8
73.02943	6.0
83.01379	4.6
84.04544	0.8
85.02947	10.0
87.00861	1.4
89.02435	9.0
89.58730	0.7
93.03442	1.5
95.01375	1.9
96.96006	2.5
97.02974	1.0
99.00863	3.5
99.04509	1.6
101.02438	18.5
105.01913	0.7
109.02836	0.8
113.02444	9.8
116.92864	0.8
119.03500	3.3
119.05014	1.1
123.04481	0.9
125.02423	1.4
133.02922	1.7
135.04524	2.2
137.02435	1.0
143.03473	1.1
159.03033	2.1
161.02417	1.7
161.04558	11.1
163.03975	0.8
171.10251	3.4
173.04536	5.6
179.03455	0.9
201.11292	1.4
209.11755	1.1
214.02705	0.9
214.06563	0.7
216.38055	0.8
222.23975	0.7
241.01469	1.2
242.02049	1.7
245.00839	1.1
253.09100	1.0
270.01688	3.0
298.01114	1.1
313.71033	0.7
325.20142	1.6
339.25223	2.1
357.26376	1.1
399.18393	2.5
501.30673	100.0
502.30978	7.8
519.31921	3.9
561.16711	6.4
561.23700	4.9
561.32129	6.7
562.16412	0.8
580.71680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45269	0.4
55.01870	1.0
57.03446	2.4
58.00582	0.6
59.01378	100.0
61.98827	5.2
69.03467	0.7
71.01379	19.2
71.41269	0.4
72.99309	1.0
73.02946	6.9
74.02428	0.4
75.00900	0.3
80.96532	0.9
81.03446	0.5
83.01379	2.9
85.02948	10.4
87.00885	1.4
88.98786	0.5
89.02440	5.6
93.03461	1.4
95.01390	2.1
96.96016	2.9
97.02959	0.9
97.06582	0.4
99.00881	2.4
99.04549	0.8
101.02441	17.9
107.01393	0.5
108.02171	12.8
109.02960	15.0
111.00906	0.7
113.02445	9.3
116.92867	0.6
119.03520	2.7
121.02959	0.6
123.00913	0.6
123.04494	0.6
125.02424	1.1
126.74124	0.4
129.01965	0.4
133.02966	0.8
134.03772	0.7
135.04547	1.8
137.02399	0.9
137.23029	0.4
139.04095	0.4
139.07628	0.7
143.03506	1.1
149.02452	0.4
149.04555	0.3
151.00381	1.2
151.04051	0.4
152.01144	16.7
153.01939	14.2
153.05562	0.4
154.02321	0.5
159.03004	1.4
161.02414	1.3
161.04546	13.5
161.05893	0.7
163.04019	1.0
165.01910	0.7
171.10254	0.6
173.04562	3.2
177.01894	0.5
178.02818	0.5
178.99942	0.7
179.05615	1.5
191.05672	0.5
193.05112	0.6
195.03023	0.4
199.03937	0.9
201.12953	0.9
204.11514	0.8
215.03491	0.9
219.13919	0.8
220.37096	0.4
227.03502	1.2
237.05293	0.4
242.02237	1.2
243.00714	0.7
243.02969	5.8
255.03085	2.1
255.16043	1.1
257.04553	1.5
270.01724	1.5
271.02512	6.5
272.02905	0.6
285.04105	2.8
286.04456	0.4
299.01947	9.4
299.05319	0.6
300.02594	2.4
314.04321	10.1
315.04984	4.4
315.07657	1.8
325.20218	0.4
339.21683	3.2
339.25278	0.7
417.20898	0.9
447.74149	0.4
501.30695	85.9
502.30972	6.3
519.31976	0.8
561.12274	12.6
561.19873	27.2
561.32715	1.3
562.12476	1.7
562.20190	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	562.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.5
61.98815	0.9
70.66699	1.1
78.95906	8.6
85.06585	0.7
86.46572	0.4
90.07939	0.4
96.96028	0.5
109.91940	0.4
140.01221	2.5
152.99588	0.9
155.14407	0.6
163.11171	0.5
165.12823	1.7
181.12335	1.3
187.53304	0.4
193.90663	0.4
196.03778	1.4
196.89551	0.5
199.13377	22.7
200.13800	0.4
214.04820	3.6
237.90533	0.4
261.18585	0.4
263.20117	15.0
264.20511	1.1
279.19659	3.5
347.15375	0.4
347.25922	5.9
365.26926	100.0
365.73892	0.5
366.27261	4.5
488.27802	6.4
489.27783	0.4
562.31464	32.3
563.31512	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	562.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82126	0.3
61.98820	1.4
62.96420	0.6
63.45107	0.3
69.38797	1.8
78.95903	35.2
83.05017	0.4
85.06579	2.2
115.40350	0.3
122.00143	1.7
134.98537	0.5
140.01195	8.0
151.11328	0.4
152.98505	0.3
152.99612	2.6
165.12851	0.9
166.02725	0.3
181.12335	0.8
196.03787	13.6
196.05602	0.7
199.13380	12.4
214.04880	2.8
251.20178	0.6
261.18668	0.7
279.19632	17.7
280.20004	0.7
347.25906	7.2
348.26022	0.4
363.25400	1.2
365.26929	100.0
366.27335	5.1
562.31464	74.8
563.31970	5.0
579.39600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1039
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01374	2.0
61.98826	1.2
115.16145	1.1
115.37335	1.2
117.77045	1.2
151.00360	3.7
173.04494	4.3
180.68365	1.1
183.04485	3.3
187.04086	1.5
199.03999	5.1
211.03960	1.3
215.03395	1.6
225.06300	1.0
226.02744	1.2
227.03471	5.1
237.05591	1.4
243.02977	18.0
244.03510	1.6
254.02084	1.9
255.02959	17.4
271.02457	35.1
272.03104	3.3
278.15759	1.3
287.05481	1.6
299.01959	63.0
300.02686	28.3
307.48346	1.3
314.04300	38.2
315.05075	100.0
316.05389	4.8
411.04489	1.1
519.11426	50.3
520.11823	1.6
563.24487	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80999	1.7
58.00597	4.2
59.01378	87.0
60.99303	10.6
71.01378	26.0
72.99306	62.8
75.00873	21.7
83.01397	2.2
87.00871	13.3
88.04040	2.0
88.60265	1.9
88.98851	2.0
89.02441	100.0
99.00899	4.1
101.02429	3.0
105.01921	3.7
107.63984	1.6
115.00365	47.0
117.01097	3.5
117.01936	70.5
123.04506	7.2
123.19107	1.8
127.00333	2.4
131.70201	2.0
133.01433	80.2
135.03018	5.0
145.01424	73.6
149.04482	4.3
153.05571	11.5
161.00899	8.2
179.67209	1.6
191.05582	5.3
212.14206	1.6
221.03021	43.9
221.06396	1.9
226.07797	1.8
277.01251	1.8
333.86566	2.1
341.10907	7.6
357.11929	2.1
503.16260	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03396	0.3
57.67723	0.3
61.98823	0.5
71.20648	0.3
95.05050	0.4
99.23365	0.3
122.03771	0.3
123.04524	57.1
124.04845	1.0
153.05573	100.0
154.05902	2.2
154.48196	0.3
297.09882	0.4
315.10846	9.7
316.11133	0.6
352.15112	0.3
357.11893	25.1
358.12369	1.2
416.82553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.2
59.01376	7.9
60.99008	0.9
60.99303	14.0
61.98822	1.1
67.03490	0.5
68.83849	0.6
69.03457	0.5
69.37052	4.3
71.01379	3.1
73.02926	0.7
80.96495	2.7
81.95305	0.6
82.96095	2.5
83.01360	0.8
83.22601	0.5
85.02940	1.2
87.00882	0.6
88.98804	100.0
89.02471	1.3
93.03418	1.0
94.98126	1.1
96.96008	1.2
96.97649	0.9
99.04500	0.8
101.02444	1.7
113.02460	1.0
123.04547	0.7
125.02452	0.6
127.04111	0.5
133.37738	0.5
135.04482	1.1
141.05551	0.6
143.38760	0.5
151.30002	0.5
173.04480	1.0
174.43437	0.5
179.03491	0.7
191.05678	1.0
227.00377	1.2
280.54156	0.6
353.06702	1.5
383.07477	0.7
419.19296	2.8
461.20209	2.0
472.16183	0.6
473.15561	7.4
563.12781	1.1
563.24908	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	563.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.3
59.01382	67.5
61.98824	13.8
67.74838	2.2
69.23662	2.2
69.46901	4.8
69.47292	17.1
71.01378	51.0
72.99319	8.5
73.02948	66.6
83.01381	15.3
83.05004	2.3
85.02949	4.2
87.00916	3.5
88.96702	2.6
93.03463	14.1
96.03051	2.2
96.88683	2.2
96.96001	5.2
97.02982	3.8
98.20664	4.7
101.02441	39.8
109.02912	3.3
113.02446	7.0
119.05045	4.8
119.66946	2.3
123.04537	3.1
125.02477	4.0
125.05730	2.1
133.02936	4.9
135.04518	10.4
137.02412	6.2
137.09727	4.6
153.05544	2.7
155.03499	8.9
155.10451	2.5
159.04482	2.9
161.02438	11.4
163.03972	3.4
173.04530	63.1
179.01910	2.7
179.03461	4.9
187.07625	6.4
191.05594	4.2
203.05595	5.8
203.07353	3.6
205.08553	2.5
227.12854	3.6
229.08612	2.6
247.09682	5.0
255.17490	4.9
269.19254	5.0
271.20651	25.3
287.77585	2.8
292.69836	2.5
301.21796	12.1
311.05673	3.1
315.19632	100.0
316.19986	5.7
325.81018	2.7
329.21240	52.5
330.21378	3.0
357.20819	28.5
375.21841	2.7
387.21771	4.6
389.16104	3.3
411.93991	2.9
416.83255	2.8
492.86267	3.0
535.87976	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73948	0.8
61.98814	2.3
63.96235	1.1
64.61232	0.8
70.37543	1.5
70.37925	1.5
71.01388	5.0
73.02944	2.0
77.47145	0.8
78.95898	1.7
78.98570	4.5
79.95734	8.9
80.96512	58.7
85.02938	2.4
87.00863	2.1
88.98808	1.5
94.98089	13.6
96.95979	1.3
101.02415	2.3
106.98061	1.8
117.53025	1.0
122.97564	3.8
125.02401	2.2
127.03964	0.8
134.97554	3.9
136.99088	1.2
142.16170	1.0
145.18573	1.0
148.99141	4.2
152.98607	5.9
164.98628	9.7
171.79929	0.9
181.98665	0.9
206.99605	2.4
214.85780	0.8
215.87337	0.8
225.00748	11.5
243.01688	1.4
251.23457	0.9
263.20178	2.3
277.21677	2.2
299.04440	3.0
338.81970	0.8
367.27542	1.0
370.00690	0.9
400.54340	0.9
474.26141	1.1
563.25244	100.0
564.25702	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	563.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
57.03446	38.2
58.00549	1.0
58.03800	0.9
59.01377	49.6
61.98820	3.9
66.16991	0.7
67.01884	2.5
69.03426	1.2
71.01382	23.0
71.52487	1.2
72.99303	5.9
73.02940	8.8
75.00876	0.7
81.03445	1.7
83.01389	7.3
83.05022	1.1
85.02947	16.2
86.00101	1.8
87.00504	0.6
87.00883	7.1
87.04518	0.9
88.98794	1.0
89.02441	2.0
93.03443	15.9
95.01380	2.3
97.02921	1.1
97.06610	1.5
99.00890	4.3
99.04517	8.5
101.02438	30.4
109.02944	1.6
111.00877	2.8
111.04556	3.5
113.02442	8.4
119.05007	0.9
123.04556	3.7
123.05289	0.8
125.02421	3.2
129.01944	0.8
133.02962	1.1
135.04501	2.4
137.02457	3.5
143.03453	2.4
143.04544	0.7
149.02402	0.8
151.04004	2.6
152.01117	0.9
153.01891	1.5
153.05547	2.9
155.03534	3.9
155.10641	0.7
159.03030	1.6
161.02449	2.6
161.04521	4.4
171.04567	0.8
173.04546	56.3
173.05963	3.3
174.04779	1.5
174.06781	1.4
175.03966	2.1
175.07544	2.2
177.01851	1.1
177.05460	0.9
179.03511	1.8
186.06830	2.5
187.07635	4.2
189.68747	0.8
191.05605	15.9
191.07137	0.6
200.04712	1.1
201.05618	1.6
201.09297	1.6
201.11316	1.2
201.15044	1.2
203.07108	3.4
209.11824	1.4
214.06392	2.2
215.07111	2.7
217.08630	1.5
218.09364	1.4
229.08667	2.8
230.09357	3.7
232.07323	3.8
233.08112	1.2
247.09700	4.0
248.10493	2.5
257.17636	1.6
274.08542	1.4
281.08359	0.9
283.13129	1.5
289.73914	0.7
301.14206	0.9
308.64240	0.7
313.09225	2.3
327.12622	0.9
327.15875	3.6
327.21704	1.3
333.26337	0.8
345.17001	2.5
353.14008	1.6
357.22830	1.3
359.27994	1.1
371.14911	2.8
375.23712	1.9
389.16071	13.3
390.16364	0.9
395.22827	0.7
399.81454	0.8
401.21628	3.9
419.22833	100.0
420.23270	4.8
461.23889	60.8
462.24036	3.5
477.60791	0.8
485.30841	1.0
501.27014	15.2
503.32095	18.4
521.32703	3.6
526.38428	1.2
545.20404	1.8
545.29199	1.4
563.27692	22.6
564.27777	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	563.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.3
59.01380	25.2
59.01684	1.5
60.99294	1.2
61.98836	6.1
66.73453	0.8
67.01884	3.7
69.03448	1.7
71.01383	10.4
71.21520	1.1
71.21864	1.7
72.99300	2.8
73.02937	3.6
78.95895	1.9
83.01389	2.6
83.05038	1.5
85.02954	4.2
87.00874	6.6
87.35080	1.0
88.98804	1.2
89.02432	2.3
93.03455	25.9
95.01392	1.4
96.95977	1.1
99.04575	1.4
101.02422	2.6
108.02183	1.6
109.02953	3.0
110.01524	0.9
111.04517	5.9
113.02440	2.8
116.92844	1.7
119.05038	1.7
127.03970	0.8
133.02910	1.6
135.04527	2.1
137.02452	5.0
141.90823	0.9
152.01083	2.2
155.03496	4.0
159.04475	1.5
161.02499	4.4
171.10304	1.3
172.05249	1.7
173.04541	100.0
174.04912	1.9
174.06786	1.2
175.07655	1.2
179.03435	2.3
185.11754	1.2
187.07629	5.1
189.05492	1.7
191.05602	10.5
194.78275	1.0
200.04765	0.9
201.05528	2.3
201.09268	1.9
203.07118	3.9
204.07846	1.1
205.08633	2.2
214.06314	1.9
215.07063	3.0
219.10237	1.1
229.08665	3.8
230.09453	2.1
232.07208	1.8
233.08167	4.3
247.09859	6.5
274.08405	1.9
297.24252	2.1
315.25406	32.9
316.25885	1.9
327.15909	1.4
327.21722	1.7
357.26556	1.4
371.14896	1.4
389.15918	4.0
423.13000	2.0
459.29642	4.7
477.30646	20.2
478.30673	1.3
503.32117	1.5
519.31738	61.4
520.32123	5.9
521.32983	1.5
545.20215	2.8
563.20911	7.5
563.33929	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	563.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32515	1.1
57.03432	3.0
58.00566	1.0
59.01075	1.5
59.01377	29.8
61.98829	10.6
67.01882	4.7
69.03455	1.7
69.72556	6.3
70.60426	1.1
71.01016	1.2
71.01382	15.9
71.88335	1.0
72.99300	4.3
73.02939	4.3
78.95891	1.1
81.03448	1.6
83.01379	1.8
85.02953	6.2
87.00879	7.1
88.98792	1.4
89.02428	4.3
93.03462	26.4
93.55335	1.3
95.01372	1.5
95.30384	1.0
99.00874	1.7
101.02445	6.6
108.02171	1.6
109.02924	4.3
111.00845	1.3
111.04510	4.5
116.92852	2.6
121.02921	1.3
133.02962	2.9
135.04521	5.4
137.02414	4.3
152.01164	2.1
155.03471	5.1
159.04472	1.2
161.02434	11.7
162.02841	1.3
163.04015	1.9
171.10225	1.9
173.04550	100.0
174.03210	1.6
174.04826	2.2
176.04759	1.5
179.03477	3.0
181.05080	1.6
185.11877	1.4
186.06844	2.7
187.07648	2.6
191.05655	11.1
201.05519	1.6
201.09328	2.3
203.07098	4.9
204.07796	1.4
205.08607	2.8
209.11847	1.6
214.06343	3.2
215.07019	3.2
216.82639	1.2
227.12927	1.5
229.08585	4.3
230.09395	1.8
232.07231	1.7
233.08215	2.5
247.09720	7.9
251.05580	3.4
253.09190	1.5
274.08286	1.8
297.24396	2.5
315.25372	48.7
316.25540	1.1
327.21671	3.7
327.25232	1.5
329.26849	3.4
345.16931	1.9
348.86734	1.0
357.26376	2.5
389.16034	5.5
403.67740	1.2
459.29639	7.6
477.30676	30.6
478.31085	1.9
503.31879	1.7
519.31714	98.8
520.32111	8.4
521.32666	2.5
543.43292	1.2
545.19879	2.7
563.21106	8.6
563.34100	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.4
61.98822	5.0
71.52435	1.4
78.95911	5.5
80.96508	2.2
152.99574	1.2
168.04303	1.4
200.75188	1.2
242.07919	1.9
265.21698	100.0
266.22028	4.9
277.21692	1.3
300.41187	1.0
490.29437	34.3
490.36734	2.0
491.29553	1.6
544.91394	1.0
564.26514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01370	6.9
61.98825	0.9
69.78557	0.7
69.78946	1.4
71.01367	4.0
72.99301	0.4
73.02942	1.5
78.95901	0.6
79.95719	0.5
83.01372	1.0
85.02946	1.5
87.00875	1.5
88.98808	0.8
89.02428	3.6
93.03455	0.5
96.96005	23.2
98.20734	0.5
101.02442	3.1
108.02188	0.8
109.02935	2.0
113.02420	2.4
116.92897	0.5
119.03496	1.3
121.02928	1.2
122.03703	0.6
123.00881	1.3
123.04517	1.5
123.08112	0.6
124.01651	0.9
125.02483	0.6
126.71828	0.4
127.11280	0.5
134.03780	2.1
135.04492	1.9
137.02419	2.6
138.03152	1.4
139.03981	1.4
143.03545	0.7
143.04996	0.4
143.68315	0.4
147.04509	5.2
148.05292	3.3
149.02467	2.3
150.03166	3.4
151.03992	5.6
152.04744	1.4
153.01958	0.7
153.05554	0.5
158.03746	1.0
159.04506	4.6
160.03947	0.7
160.05286	15.0
161.02473	0.8
161.04622	1.1
161.06064	5.3
162.03188	1.6
162.06818	2.0
163.03984	5.0
164.04767	5.2
166.06346	1.2
168.04282	0.4
171.10271	0.4
171.47833	0.4
173.02451	0.4
173.04596	1.0
173.06065	2.2
174.03107	0.6
175.03998	1.9
175.07616	15.9
176.04779	3.6
177.05554	7.2
178.02763	0.6
178.06322	2.6
179.03505	0.7
179.05620	1.3
191.05676	0.6
191.07112	4.2
191.66055	0.5
192.07829	0.6
193.05014	1.0
193.08646	1.5
198.05312	0.5
201.11331	5.9
205.08662	0.5
209.11818	4.6
223.13397	0.5
227.12941	1.8
241.14449	1.0
245.13922	4.3
256.07425	0.7
271.09760	1.1
281.08398	0.5
283.06119	0.9
284.06708	0.5
298.08435	1.6
299.09201	7.9
313.10724	2.1
314.11569	7.7
323.09561	0.9
329.13907	5.9
341.10849	6.8
344.12384	0.5
359.14969	100.0
360.15314	5.7
367.21262	6.7
383.11670	0.7
403.14044	5.6
521.20288	1.8
565.18726	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	565.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.0
59.01378	6.1
60.99300	0.7
61.98830	3.0
63.75988	0.4
68.99308	0.4
71.01385	1.5
71.47025	0.4
71.52342	0.5
72.99319	0.7
73.02947	1.4
80.96527	0.6
81.03442	0.7
83.01389	2.2
85.02949	0.5
87.00882	0.8
88.98801	1.6
93.03467	1.5
94.35896	0.4
96.96015	3.0
97.06584	0.5
101.02442	1.7
107.05046	1.2
108.02166	3.7
109.02948	83.3
110.03295	1.6
111.00892	0.4
113.02468	0.9
119.05009	0.6
121.02914	0.4
123.00922	0.5
123.04546	2.3
128.84692	0.4
130.67029	0.4
134.06061	0.5
135.04520	8.2
137.02431	1.7
139.00333	2.0
147.59317	0.4
152.01151	0.6
153.01929	100.0
153.05513	1.7
154.02269	1.6
161.02455	0.8
161.09697	1.1
161.13286	0.6
163.04022	0.6
163.11247	0.8
167.03456	1.0
173.04568	2.2
174.04730	0.4
177.01881	0.6
178.02277	0.5
179.03481	5.1
180.01732	0.4
187.11259	1.6
187.75241	0.4
189.09160	1.6
191.05588	0.9
193.04915	0.5
197.11789	0.4
203.10783	0.8
205.12321	1.0
207.10245	1.2
223.13321	1.9
225.77144	0.5
231.10219	1.2
249.11284	1.2
255.19725	0.5
267.12299	1.7
273.11465	0.5
281.09195	0.5
291.12357	0.5
294.09369	0.6
315.07260	2.2
315.12399	0.5
317.19562	2.1
333.13287	1.2
341.06589	0.7
351.14636	0.8
359.70078	0.4
361.13037	3.0
385.14853	0.6
411.16614	10.0
412.16910	0.5
489.18405	1.1
521.26276	0.5
565.19122	15.9
566.19470	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	565.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.1
57.78719	0.4
59.01382	7.4
61.98846	1.1
63.09779	0.5
69.23518	2.1
69.23947	2.0
71.01384	3.8
72.99319	0.7
73.02944	1.4
81.03452	1.2
83.01384	0.9
85.02946	3.6
87.00884	0.7
88.98802	0.5
93.03468	1.4
95.01376	2.1
96.95990	0.7
97.71741	0.5
99.00911	0.6
101.02428	2.4
107.05029	0.9
108.02174	48.7
108.43556	0.5
109.02961	32.4
110.03268	0.8
111.00851	0.5
113.02438	1.8
119.05049	0.7
121.02958	1.3
123.00851	1.3
123.04521	3.2
133.03012	0.9
135.04500	2.0
137.02463	1.2
139.00354	1.2
151.03989	1.7
152.01151	62.3
153.01941	24.5
153.05551	2.9
161.02448	0.6
161.04529	0.8
161.09738	2.3
161.13374	0.8
163.03989	1.3
163.11253	0.9
165.01949	1.2
171.10207	0.5
175.04916	0.5
177.01830	1.4
179.03470	0.8
181.04955	0.6
181.25119	0.6
187.11267	1.7
189.09213	2.0
205.12349	2.3
300.47009	0.5
315.07205	21.6
316.07596	1.0
329.23288	2.7
361.13037	3.3
503.19406	2.5
505.17062	2.9
521.20343	4.2
547.18085	2.4
565.19214	100.0
566.19556	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	565.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15642	0.4
55.76728	0.5
57.03449	2.3
59.01382	6.7
61.98821	3.8
62.24072	0.4
69.03424	0.6
69.44195	3.0
71.01383	4.0
72.99308	0.8
73.02937	2.2
75.87397	0.4
81.03458	1.4
83.01386	1.2
83.05037	0.7
85.02956	3.5
87.00320	0.4
87.00874	1.5
88.98801	1.1
89.03983	1.6
93.03467	1.3
95.01385	2.4
95.04989	0.6
96.96015	1.2
97.06606	0.8
99.04551	0.6
101.02428	2.8
105.03451	2.4
107.05038	0.8
108.02169	48.1
109.02954	36.5
109.04053	0.6
113.02434	2.2
121.02955	1.9
123.00895	1.5
123.04485	1.0
133.02954	7.0
135.00865	0.7
135.04504	3.6
149.02425	0.9
151.03986	1.9
152.01146	65.8
153.01930	28.0
153.05528	1.5
161.02496	0.8
161.04494	0.9
161.09717	1.8
161.13354	0.6
163.04016	1.2
163.11279	1.0
165.01952	1.2
173.04572	0.7
177.01921	85.9
178.02203	2.7
179.03517	0.8
181.05080	0.6
183.10271	0.8
187.11267	2.0
189.09253	1.3
197.04486	0.7
205.12323	1.0
207.10175	0.6
230.41278	0.5
235.33333	0.4
249.11215	0.6
253.83298	0.5
259.19122	1.4
261.48535	0.5
262.10339	0.5
267.12366	0.6
296.90442	0.5
315.07217	20.6
316.07443	0.7
327.21469	0.5
329.22366	0.8
387.16531	1.5
403.23444	0.8
414.44821	0.5
421.24438	6.0
439.63919	0.4
463.25494	3.2
503.19073	1.9
503.28247	0.8
505.17249	2.5
521.20087	4.8
547.18262	1.1
565.19220	100.0
566.19568	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	565.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	6.0
59.01380	72.2
60.83637	1.1
60.99301	1.6
61.98821	2.8
71.01377	18.0
71.51988	1.6
72.44616	1.0
72.99298	2.0
73.02944	3.2
78.95884	1.4
83.01381	1.8
83.05012	1.3
85.02939	3.0
87.00880	7.3
88.98799	7.5
89.02447	13.5
96.96001	9.6
97.02975	1.4
97.06599	1.1
99.00881	1.2
99.04524	3.3
101.02434	10.6
109.02962	1.2
113.02449	8.4
119.03492	2.7
119.08668	3.6
121.06572	1.8
123.04517	1.3
124.14104	1.0
125.02433	1.1
125.06150	1.1
133.10268	1.6
135.04482	1.4
135.08156	2.5
135.11877	1.5
137.02448	4.2
137.09732	10.9
141.05612	1.2
143.03532	1.0
159.11742	1.9
161.04500	1.7
161.09660	6.0
163.07678	4.7
173.04625	1.2
179.03551	1.5
179.05568	1.8
179.10785	7.8
181.08693	12.6
195.10239	1.0
197.11821	44.6
205.08620	2.1
221.11792	2.3
223.09761	11.5
241.10815	42.4
242.11292	1.6
259.11771	2.0
283.11914	19.8
313.12964	9.5
341.10944	2.9
343.13943	39.4
377.18307	1.1
395.00946	1.1
403.16049	100.0
403.69736	1.2
404.16464	4.9
491.41202	1.0
532.25244	1.1
565.21368	65.8
566.21918	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	565.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91892	0.4
57.03447	1.6
59.01382	7.8
61.98819	0.5
66.60685	0.4
70.00850	1.5
71.01363	1.2
73.02946	1.8
81.03452	0.5
83.01378	1.4
83.05025	0.7
85.02967	0.4
87.00876	1.1
88.98839	0.5
93.03460	1.2
95.05042	0.9
96.95982	0.7
97.06584	0.4
97.52464	0.5
98.19943	0.4
101.02435	1.3
105.03338	0.5
107.05038	1.4
108.02167	1.0
109.02953	1.0
113.02480	0.8
120.05777	0.4
122.03745	1.0
123.04520	72.1
124.04835	1.1
126.12828	0.5
135.04482	1.0
143.03389	0.4
152.01117	1.1
152.04758	0.5
153.05569	100.0
154.05905	2.1
161.09691	3.1
161.13312	1.1
163.11235	1.1
166.43538	0.4
173.04579	0.9
177.01952	2.9
187.11290	3.8
189.09232	2.4
191.71460	0.5
197.04623	0.5
205.12308	1.7
207.10211	0.7
216.79120	0.5
223.13356	1.5
231.10294	1.0
249.11212	2.3
267.12399	0.8
282.09592	0.6
315.10794	9.2
316.11108	0.5
333.13290	0.6
411.16574	5.4
438.62875	0.4
481.59229	0.5
505.20621	0.6
565.22894	48.2
566.23108	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	565.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69517	0.2
51.54648	0.2
56.32457	0.2
57.03439	1.2
59.01373	5.3
61.98817	0.4
68.71848	0.2
71.01369	1.5
71.59569	0.3
73.02950	1.0
80.02686	0.2
81.03461	0.5
82.11325	0.3
83.01379	2.1
83.05024	0.7
85.02965	0.6
87.00851	1.4
93.03434	0.5
95.05036	1.2
97.06586	0.5
101.02444	0.9
107.05030	1.7
108.02175	1.1
109.02950	0.7
111.00899	0.4
113.02418	0.5
120.05831	0.7
121.02891	0.4
121.06589	0.3
122.03734	0.7
123.04519	76.4
124.04824	1.2
125.02431	0.3
135.04478	0.6
149.06113	0.5
152.01143	0.7
152.04735	0.3
153.05566	100.0
154.05905	1.7
159.11673	0.3
161.09697	3.4
161.13367	1.1
163.11275	0.9
173.04396	0.3
187.11270	3.8
189.09210	2.9
203.10738	0.6
205.12300	2.0
205.88747	0.2
207.10219	1.2
223.13312	1.8
231.10236	0.9
249.11276	2.1
253.09309	0.3
256.54114	0.2
267.12384	0.9
291.12262	0.6
315.10797	8.7
316.11023	0.4
325.53046	0.3
329.22989	0.5
333.13370	0.9
351.14404	0.3
405.75107	0.2
411.16537	4.5
411.21631	0.4
505.20828	0.7
547.21783	0.8
565.22852	55.3
566.23022	4.1
589.86877	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01506	0.8
51.29428	0.9
54.80992	0.9
59.01110	1.3
59.01381	18.3
61.98831	8.6
66.58757	1.0
68.39596	0.8
69.54675	5.9
71.01377	10.8
72.99283	1.1
73.02943	3.5
74.36805	1.0
75.77550	0.9
80.96534	1.5
83.01373	2.9
83.87574	0.8
85.02956	7.6
89.21391	0.8
95.01384	1.2
98.20627	1.2
99.00867	1.9
101.02441	6.1
108.98647	0.8
113.02447	2.6
133.02927	1.2
135.04561	1.4
142.89630	1.0
145.02998	0.9
161.02345	1.1
173.04646	1.4
175.04008	1.1
179.03435	0.9
196.89517	0.9
209.11882	1.4
211.30000	0.9
273.22220	4.9
283.04822	0.9
291.23328	1.5
317.21191	44.2
318.21579	2.0
401.23450	1.4
431.24527	1.8
461.25418	45.5
462.25766	3.9
479.26501	31.8
480.26669	1.9
521.27521	100.0
522.27869	7.5
565.22791	2.0
565.31036	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	565.2682
Annotation	Dmp 323
Peak:m/z	Relative Intensity
59.01384	0.9
63.96226	1.7
69.03446	0.7
70.00400	1.7
71.01379	6.9
73.02927	1.4
77.05330	0.4
78.98589	4.8
79.95735	8.5
80.96514	64.1
81.03453	0.9
85.02960	3.2
87.00864	1.9
94.01136	0.3
94.98083	14.7
96.96008	1.2
97.02941	1.8
97.42603	0.3
98.19910	0.5
99.04480	0.4
101.02436	3.3
106.98087	3.4
113.02462	0.5
122.97568	5.2
125.02444	3.1
134.97578	3.6
135.59804	0.4
136.99117	1.2
146.13849	0.4
146.97586	0.4
148.74359	0.4
148.99142	5.7
152.98616	6.5
164.98610	10.2
167.00047	0.5
182.99635	2.1
188.98637	0.4
206.99660	2.9
225.00737	16.6
226.00996	0.5
243.01755	1.7
265.21631	2.7
299.04333	3.1
353.59314	0.4
353.63547	0.4
565.26807	100.0
566.27197	8.4
593.62262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35545	16.2
58.03801	16.5
59.01373	51.3
61.98830	66.0
69.71582	100.0
71.01388	17.4
72.99291	27.3
73.02955	21.3
76.14149	16.2
77.52390	18.9
78.95895	33.9
81.52123	15.5
98.20634	30.5
101.02479	24.3
117.00725	17.1
152.99594	26.0
161.02422	22.1
163.03975	24.4
179.03442	31.8
231.64548	20.6
236.43947	16.6
246.82457	22.4
261.67404	17.3
317.21164	89.1
331.23062	37.2
377.00189	19.7
565.26343	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08269	0.3
59.01379	100.0
61.98829	3.3
63.52664	0.3
71.01379	0.6
71.06944	0.7
72.99313	0.6
73.02986	0.4
78.95889	0.5
113.02494	0.3
116.92867	0.8
119.05031	0.7
135.04549	0.8
152.99579	0.7
161.02469	1.0
161.13371	0.3
163.04077	0.4
173.04570	1.0
317.21271	0.6
369.16333	0.4
463.27658	0.7
505.27725	0.4
521.27838	1.2
529.33215	0.3
565.30609	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	566.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.5
61.98833	2.9
71.53520	1.2
78.95901	9.7
79.72408	0.7
79.95763	1.1
80.96518	7.7
85.02943	1.4
88.98795	5.4
89.01343	0.8
94.98100	1.7
134.97571	1.2
152.98547	0.9
152.99580	4.4
168.04329	1.2
194.64882	0.8
223.40189	0.9
224.07126	1.0
225.00700	2.7
242.07986	1.7
245.04378	1.4
253.21628	1.3
267.23267	100.0
268.23517	3.7
279.23257	7.1
280.23654	6.3
281.24023	0.8
466.46765	1.0
476.27737	3.4
481.25681	1.7
492.30923	39.6
493.31076	2.5
505.31250	4.0
506.31378	2.0
567.28406	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	567.2292
Annotation	Chinikomycin A
Peak:m/z	Relative Intensity
57.03444	2.2
59.01378	38.0
69.03457	0.7
69.44691	1.2
69.45095	3.1
71.01378	8.8
72.99296	0.7
73.02937	4.3
83.01388	1.6
85.02950	2.2
87.00882	3.8
87.04514	0.9
89.02444	6.6
95.01418	0.5
95.05002	0.8
96.96016	1.6
98.19812	0.6
98.20425	1.8
101.02450	4.5
112.93434	0.6
113.02435	2.7
113.70695	0.5
119.03468	1.2
129.05580	0.5
132.12747	0.5
139.11288	25.1
140.11609	0.8
161.04491	0.9
163.11264	0.8
165.09204	1.4
169.12370	1.5
179.10745	1.1
181.12325	13.2
183.10254	29.7
184.10670	0.7
197.11772	0.9
199.13393	7.6
207.10233	0.7
225.11310	19.1
243.12355	77.3
244.12733	2.4
257.13998	1.5
267.12332	1.5
285.13416	28.2
286.13788	2.0
315.14380	3.0
323.09937	1.1
341.10971	1.5
345.15546	18.3
346.15897	0.8
387.16751	1.4
405.17636	57.6
406.17780	3.5
407.93442	0.6
409.76849	0.6
507.21082	1.2
549.21497	0.7
567.22913	100.0
568.23059	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	567.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65945	1.0
55.01851	1.3
57.03436	2.7
57.22316	0.9
59.01376	60.4
61.98816	1.8
69.03450	2.4
71.01377	28.7
72.99284	1.7
73.02944	16.5
74.03246	1.0
75.00832	1.1
83.01389	11.7
85.02938	4.9
87.00874	14.0
89.02441	27.7
95.01345	2.9
95.04992	1.3
96.95983	2.8
99.00866	1.9
101.01810	1.9
101.02441	24.4
109.02942	1.4
113.01745	1.5
113.02452	16.3
119.03500	6.7
123.04459	1.1
123.63860	0.9
125.02430	2.9
131.03444	2.9
135.04504	1.6
139.10364	1.3
139.11292	17.5
143.03467	3.6
147.70851	0.8
147.93839	1.0
153.01752	1.1
160.46964	0.9
161.04578	5.2
162.59065	1.1
163.11266	3.7
164.70216	0.9
173.04327	1.0
177.01874	1.0
179.05624	4.9
181.12325	14.3
183.08649	1.6
183.10245	22.3
199.13414	5.7
205.12419	1.4
207.10277	2.4
209.11714	1.6
225.11304	26.1
226.11818	1.2
227.12842	1.3
243.12352	66.0
244.12610	1.2
249.11218	4.6
267.12375	2.7
285.13348	3.2
303.96960	0.9
315.14572	4.7
323.09613	2.0
341.10852	17.8
345.15543	10.8
383.11844	5.1
387.16599	4.1
405.17618	59.6
406.18063	3.0
523.27704	1.3
549.21594	3.1
567.22827	100.0
568.23175	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	567.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	2.4
58.00600	1.1
59.01378	40.3
60.99303	0.5
69.03435	0.5
69.33195	1.1
69.33592	3.3
71.01375	11.3
72.99326	0.6
73.02943	7.8
75.16759	0.5
83.01388	2.0
83.05008	0.9
85.02954	3.0
87.00874	3.9
87.04520	1.1
89.02444	7.8
95.01361	0.9
95.02733	0.5
96.96018	4.2
97.02954	0.8
99.00883	0.8
99.04536	0.7
101.02441	6.7
109.02926	0.8
109.06622	0.6
113.02446	4.4
119.03475	1.2
125.02435	0.9
125.09724	0.9
129.01930	0.5
129.05527	0.5
139.04010	0.8
139.07693	0.5
139.11298	24.9
140.11606	0.8
140.94510	0.5
151.11342	0.6
153.09097	0.5
161.04596	1.5
163.11267	1.8
164.68179	0.5
165.09219	1.1
169.12341	1.5
179.05647	1.2
179.10767	1.0
181.12350	13.7
182.12648	0.6
183.10269	32.0
184.10580	0.9
197.11794	1.5
199.11723	0.9
199.13402	10.1
200.39299	0.6
207.10333	1.0
209.11792	1.8
216.88762	0.5
225.11316	19.9
226.11552	0.7
243.12352	82.7
244.12733	3.1
249.11490	0.6
257.13892	1.5
267.12469	1.5
285.13431	28.6
286.13849	1.0
295.05969	0.6
311.11819	0.5
315.14505	4.8
323.09808	1.0
327.14438	0.6
341.10944	2.8
345.15500	22.5
346.15631	0.8
386.57059	0.5
387.16666	1.2
405.17639	62.7
406.17993	3.3
444.94797	0.5
507.21002	0.9
549.22046	0.6
567.22900	100.0
568.23260	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	567.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
59.01378	28.7
61.32973	1.0
61.54954	1.2
61.98823	4.3
68.32619	1.0
71.01377	8.0
72.99306	3.1
73.02943	5.6
74.86094	1.1
78.95905	3.1
80.47186	1.1
83.01387	4.1
85.02945	7.7
87.00787	1.0
99.00896	1.6
101.02453	9.1
113.02437	4.6
116.92863	14.8
133.02888	1.2
135.04494	2.2
150.03267	1.3
161.02489	2.1
161.04526	1.2
171.10066	1.1
173.04535	1.2
227.17801	1.0
238.06329	1.3
265.55545	1.4
267.06555	1.5
275.20023	1.3
293.21146	1.4
319.22760	65.0
320.23093	3.2
403.25003	2.6
433.25723	1.9
463.26959	56.0
464.27420	4.0
481.21429	2.3
481.28067	35.9
482.28369	3.5
518.28864	5.8
523.29095	100.0
524.29449	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	567.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63100	0.4
59.01386	0.8
61.98824	0.9
63.96232	1.2
68.31879	0.4
70.53731	1.4
71.01378	6.6
73.02945	1.6
78.95911	0.7
78.98586	5.2
79.95735	9.0
80.96514	59.4
81.03492	0.7
85.02946	1.9
87.00860	2.3
94.98082	13.3
95.01363	0.6
96.96017	0.8
97.02959	0.9
99.00860	0.5
101.02456	2.7
106.98083	2.1
112.56295	0.5
122.97580	4.1
125.02451	2.7
127.04039	0.7
134.97583	3.9
136.99138	1.2
141.76559	0.4
148.99132	4.9
152.98596	6.6
152.99605	0.6
160.89532	0.4
164.97311	0.8
164.98624	10.1
167.00177	0.7
182.99655	2.3
206.99631	2.7
212.47870	0.5
225.00714	16.5
243.01743	1.1
256.56613	0.5
267.23245	4.1
299.04492	3.0
482.25952	1.2
567.28412	100.0
568.28772	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	567.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01723	0.5
61.98829	1.2
68.33684	0.2
69.61267	1.0
70.52011	0.2
71.01392	0.5
72.99309	0.4
73.02968	0.4
78.95905	0.3
80.96530	0.3
83.01365	0.2
84.24542	0.1
85.02947	0.3
87.00868	0.2
93.03442	0.1
96.96034	0.3
101.02454	0.5
101.11243	0.2
110.80698	0.2
112.23754	0.2
113.02470	0.2
116.92863	0.2
121.02989	0.2
128.03633	0.1
135.04536	0.6
137.02484	0.2
161.02458	0.4
178.02791	0.1
179.03502	0.3
187.07640	0.2
229.08836	0.2
232.40820	0.2
267.06558	0.2
285.89154	0.2
319.22861	0.6
363.12891	0.2
392.59436	0.2
463.26923	0.2
465.28842	0.5
507.29980	0.5
567.24420	0.4
567.32190	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	567.317
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06377	0.5
59.01378	100.0
61.98819	5.3
69.19065	2.1
69.19498	2.9
71.01379	1.3
72.99347	0.8
78.95905	0.8
80.58360	0.6
80.96601	0.5
87.00887	0.7
92.06764	0.5
96.95994	0.8
98.20663	1.1
109.02942	0.8
133.02962	0.8
134.03801	0.9
135.04556	1.8
137.02394	0.6
146.03738	0.5
150.89433	0.5
159.04482	0.9
160.69980	0.6
161.02402	1.2
161.04527	0.7
163.04059	0.8
164.09631	0.6
173.04582	0.6
179.03401	1.5
200.58795	0.5
215.07077	0.7
216.31154	0.6
229.08755	0.8
237.05563	0.6
267.06604	0.6
269.63867	0.5
311.05771	0.6
319.19186	0.6
356.02094	0.6
408.11926	0.6
465.28421	0.7
567.31842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11057	0.8
59.01375	6.4
61.98827	59.7
65.98436	1.0
71.01390	2.3
72.99312	1.4
73.02932	1.2
74.94851	0.9
78.95887	1.5
89.02456	1.8
93.03460	1.5
94.01460	1.0
96.96015	4.1
107.01376	1.6
108.02127	1.3
109.02946	2.8
113.02414	1.2
116.92912	0.9
119.03463	1.1
121.02950	3.5
129.05099	0.8
135.04507	2.2
137.02452	1.2
151.00349	6.7
161.02452	1.9
173.04581	2.8
178.48312	1.0
178.99863	3.5
193.05104	1.3
227.03473	2.6
243.02957	9.0
245.04449	1.1
254.02185	1.7
255.02966	21.3
256.03439	1.5
271.02466	43.8
272.03033	3.4
283.02444	1.6
287.15121	1.3
295.10995	1.1
300.02728	81.1
301.03439	26.6
309.99725	0.9
330.48767	1.1
352.49619	1.0
445.29532	1.0
463.08829	1.6
505.09796	100.0
506.10345	5.4
537.46063	1.1
538.22296	1.0
569.22156	1.5
592.09894	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40533	0.4
59.01379	5.6
61.98829	19.1
69.45393	3.1
72.99286	0.8
73.32372	0.4
73.90742	0.3
77.97663	0.4
78.95900	0.9
93.03476	0.6
96.96004	0.5
98.20696	0.4
109.02945	2.6
116.92825	0.8
119.40755	0.4
121.02934	1.8
126.32956	0.4
133.02940	10.6
134.03764	4.1
135.04530	2.9
137.02460	3.9
139.04015	1.1
145.02905	0.6
149.02446	6.3
150.03212	2.4
152.99619	0.5
161.02434	46.6
162.02773	1.2
171.10297	0.5
173.04538	0.5
178.02707	1.7
179.03508	5.9
193.05043	100.0
194.05324	2.0
196.92033	0.4
197.06073	0.5
211.07677	0.5
237.05522	0.4
238.06245	0.5
239.07016	0.7
250.06386	0.8
257.08194	0.5
267.06607	18.7
268.07040	1.4
283.06067	2.0
311.05597	20.0
312.06122	1.1
313.07315	0.6
325.07220	1.9
355.08212	8.1
401.17285	0.4
407.49435	0.4
415.37009	0.5
505.11353	3.0
518.28949	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	568.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85390	0.4
61.98829	35.1
71.52604	0.6
78.95901	1.5
92.95101	0.4
100.63078	0.4
115.01991	0.4
132.02184	1.2
133.02951	20.3
150.03259	1.2
152.99562	1.9
161.02441	100.0
162.02797	2.9
173.06091	2.1
174.03206	0.9
187.07625	0.5
201.05602	3.6
202.06274	1.3
203.07167	2.3
215.07080	1.0
218.49039	0.4
244.47163	0.4
245.08124	0.8
246.08990	1.5
253.21735	1.5
257.08145	0.7
299.12909	1.8
505.18622	6.5
561.89764	0.4
569.27374	2.1
569.55353	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.5
59.01380	5.7
61.98831	5.8
63.29774	0.6
63.34509	0.7
71.01359	0.7
71.52145	0.9
72.81580	0.6
72.99303	1.2
78.95905	10.8
96.96010	0.9
97.06577	0.9
109.06585	1.7
113.09725	15.1
133.02919	1.3
134.03674	1.0
135.04498	0.8
135.11784	0.7
139.11296	1.7
152.99574	1.9
155.14420	0.7
161.02414	5.9
167.10771	1.7
168.04323	1.9
171.10306	1.1
175.07581	0.7
177.12772	1.0
179.10767	2.3
183.13805	0.6
187.07632	2.9
193.05066	0.7
195.13814	2.9
200.04710	0.7
207.10307	0.9
209.11813	1.4
224.06970	1.7
225.11308	1.3
238.45003	0.7
242.07928	3.3
242.94922	0.6
249.22200	2.9
257.08170	2.4
275.09378	0.8
275.20111	1.2
293.21210	100.0
294.21460	4.5
306.71130	0.6
446.75226	0.6
461.15973	0.9
518.28827	65.8
519.29401	4.2
519.36267	1.0
569.27789	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	568.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03409	1.1
59.01380	12.7
61.98821	4.5
67.44837	0.9
69.56319	5.1
71.04983	0.8
72.99310	2.2
78.95897	11.3
82.26219	0.9
82.40685	0.8
87.27085	0.7
96.96920	0.8
111.08131	0.8
129.79480	0.8
133.02945	2.1
135.04539	1.9
137.02475	0.9
151.03964	1.2
152.99554	2.8
160.58928	0.8
161.02411	3.2
168.04349	2.1
171.10257	2.0
178.02704	1.0
179.03345	1.0
187.07581	1.6
189.19328	0.8
195.13890	12.9
196.14563	1.1
205.12421	1.0
222.69109	0.9
223.13358	8.7
224.06915	1.5
228.13525	1.4
242.07970	4.7
245.27127	0.9
256.13055	2.1
257.08072	1.3
275.20132	5.5
291.19473	1.1
293.21201	76.2
294.21713	4.1
310.04736	1.2
400.67007	0.9
407.16968	3.2
451.11121	0.8
518.28851	100.0
519.29041	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	568.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	4.0
59.01391	7.1
61.98827	18.5
66.21508	1.2
69.65159	5.8
72.99285	1.2
78.95431	1.8
78.95902	30.7
80.96514	1.4
98.20553	1.9
109.66192	1.1
113.09753	16.1
133.02954	9.5
135.04498	1.5
139.11252	1.9
151.03925	1.3
152.99525	4.1
161.02425	29.1
162.02859	1.7
165.36676	1.2
167.10764	2.0
168.04311	4.2
171.10339	1.7
179.03534	1.4
179.10748	3.0
183.13863	2.4
195.13817	2.3
202.14305	1.2
209.11987	1.5
215.86481	1.1
224.06857	10.4
242.07947	2.2
249.22295	2.8
271.33459	1.3
275.09296	1.8
275.20282	1.3
277.08426	1.3
293.21228	84.1
294.21530	3.8
343.15643	1.7
505.19083	2.5
518.28827	100.0
519.29462	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	568.3615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.8
61.98822	5.0
72.23649	0.8
75.00878	1.2
78.95898	20.5
78.96330	1.5
94.51577	0.8
98.19921	1.6
104.30533	0.7
138.55116	0.8
152.99562	4.9
168.04321	3.7
224.06914	8.2
242.07903	1.7
255.23320	10.3
269.24835	100.0
270.25217	4.1
288.52728	0.8
483.26782	4.6
484.26837	0.9
494.32498	74.2
495.32901	6.2
568.24609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.7
59.01377	12.4
61.52774	0.6
61.98830	4.4
68.21667	0.5
71.01377	2.1
71.52353	1.0
72.99307	41.7
73.02938	0.7
75.00880	1.0
78.95914	0.9
87.00870	0.8
88.98830	0.8
93.03424	1.2
96.95981	1.6
97.06567	0.6
101.02447	1.3
109.02952	1.0
121.02958	1.3
122.03709	1.6
123.04498	2.0
123.47621	0.6
133.02931	3.7
134.03729	2.5
135.04489	4.9
137.02385	2.0
139.04024	1.2
146.03650	0.6
147.04526	1.1
150.03203	1.5
151.03983	4.2
152.99542	0.6
159.04530	1.4
160.05276	1.8
161.02426	9.3
161.06047	0.8
163.04048	0.7
169.57404	0.5
172.05290	2.3
173.04614	1.3
173.06032	1.2
174.06833	0.8
175.03972	1.6
175.07632	0.7
177.01903	1.5
178.02696	6.3
179.03447	1.4
183.13902	0.8
185.06035	1.0
186.06834	1.1
187.03981	3.1
187.07607	1.4
189.05504	0.6
190.06372	4.6
191.05608	0.7
197.04549	0.9
201.05569	1.3
202.06306	2.0
211.13338	7.0
227.03468	1.3
231.10194	0.7
270.76337	0.6
271.13391	1.4
273.15021	0.9
283.13403	13.1
283.16586	0.7
287.16443	0.8
289.14594	0.7
289.17798	0.7
297.14929	2.3
299.16531	0.9
301.14413	17.6
302.14737	1.0
309.14874	3.3
315.15982	9.4
317.17719	0.9
327.16052	5.6
333.17020	5.9
345.17151	3.5
347.18509	0.9
365.19434	3.2
371.15015	4.6
389.16074	10.9
390.16452	1.0
407.17056	100.0
408.17407	7.1
569.20038	6.3
569.27728	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75956	0.4
57.03440	0.6
59.01379	25.8
61.98822	1.4
63.78982	0.4
65.03954	0.8
67.45576	0.4
69.03436	0.5
69.16809	1.3
69.17230	3.0
71.01382	4.3
72.99299	0.6
73.02953	7.2
79.45561	0.4
83.01380	7.3
85.02947	0.8
86.86728	0.4
89.02407	0.6
93.03458	86.4
94.03790	0.9
96.96008	5.2
97.06588	0.9
98.19807	0.7
99.04504	1.0
101.02455	5.1
108.02190	0.4
113.02476	1.9
121.02951	0.4
123.04488	0.7
125.02446	0.8
131.03476	0.5
134.03806	0.5
135.04565	2.0
137.02444	100.0
138.02754	2.0
143.03546	0.6
149.09677	0.5
161.02423	0.9
161.04558	0.6
167.10754	2.5
173.04631	0.5
179.03545	0.9
197.04456	0.7
202.61847	0.5
207.13861	1.5
209.11873	2.8
225.14905	3.4
227.12883	16.3
233.11781	1.0
251.12865	1.5
263.12778	0.6
269.13913	5.3
287.15015	9.4
288.15167	0.7
311.15149	1.2
329.16074	0.7
331.18454	0.5
347.18610	4.5
353.15918	0.9
361.20264	0.5
371.16980	1.2
389.19739	1.4
413.18314	0.9
431.19250	10.1
432.18985	0.4
551.21344	2.0
554.71820	0.5
569.22327	40.1
570.22955	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	569.2236
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
50.29733	0.9
57.03436	3.8
58.04588	1.0
59.01378	47.0
61.98830	5.5
69.46344	0.8
71.01374	9.8
72.99291	2.5
73.02946	8.2
75.00858	1.4
77.37110	0.9
78.95899	2.8
79.95728	1.2
80.96498	1.0
81.03449	2.3
83.01389	8.3
83.84375	0.8
85.02936	2.9
87.00881	0.9
87.04499	1.1
88.98807	2.6
89.02453	6.2
93.03445	2.5
95.04993	1.4
96.95997	4.7
97.02957	1.1
99.00028	0.9
99.00840	1.1
99.04504	2.8
101.02431	9.7
107.04980	1.3
108.02161	1.2
109.02938	9.8
109.06591	6.0
113.02431	2.5
113.54085	1.0
116.92862	2.2
119.03513	2.2
119.05019	6.5
119.62626	1.0
121.02948	8.2
122.03709	2.0
123.04488	2.1
125.02407	3.4
135.04507	11.1
137.02434	27.9
137.06075	33.6
139.11281	8.2
151.11253	1.4
152.99544	3.7
153.01910	1.0
161.02396	3.4
161.04530	2.0
161.89430	0.9
165.01927	1.2
169.12334	2.7
171.10233	1.0
173.04515	1.6
179.03378	2.1
179.05649	1.5
179.10721	1.7
181.05057	84.2
181.12323	4.3
182.05354	1.9
183.10255	10.8
187.07535	1.4
197.04453	1.1
197.11790	1.5
199.13338	1.7
203.10912	0.9
203.14360	3.0
209.11797	4.9
225.11322	13.2
227.12798	1.9
243.12398	9.9
249.11211	1.4
267.12357	1.8
283.32837	1.0
287.15005	1.1
291.12363	1.2
295.60852	1.2
309.13522	0.9
327.14261	2.3
341.10895	9.4
347.18597	2.0
353.23203	3.9
354.24033	1.3
367.25699	1.1
371.24298	19.7
387.16629	6.7
413.25220	2.6
509.20319	3.9
525.26563	1.0
551.21283	3.9
569.22241	100.0
570.22467	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2235
Annotation	Ro 09-1468
Peak:m/z	Relative Intensity
54.63172	0.7
57.03454	4.5
58.00599	1.0
58.80188	0.9
59.01374	45.7
61.98807	3.4
62.01997	0.7
69.28841	6.9
71.01379	7.3
72.99281	2.6
73.02950	8.6
74.04553	0.8
75.00854	1.5
78.95893	3.9
80.96516	1.4
81.03455	1.8
83.01388	8.9
85.02930	2.1
87.00870	1.4
87.04488	3.4
88.98817	2.0
89.02436	5.0
93.03442	2.9
95.05007	1.8
96.95992	3.3
96.96938	0.9
99.04504	3.7
101.02446	8.6
107.05003	1.0
109.02958	9.5
109.06584	5.5
113.02422	2.2
119.03540	1.3
119.05000	6.9
121.02957	8.5
122.03738	2.3
123.04523	2.2
125.02419	2.4
127.07629	0.8
133.02937	1.3
135.04526	8.6
137.02435	41.7
137.06076	36.1
137.09615	1.0
139.04004	0.9
139.07608	1.3
139.11298	8.4
143.03531	0.9
152.07123	1.4
152.99544	4.7
157.13414	0.8
161.04442	1.9
163.03983	0.9
165.09232	1.2
169.12312	3.1
173.04504	1.6
179.03404	1.8
179.05528	1.8
179.10664	2.5
181.05052	81.7
181.12299	4.5
182.05362	1.9
183.10254	12.3
197.11789	1.8
199.13356	1.3
203.14365	2.5
209.11743	2.2
220.30763	0.8
225.11284	10.9
227.12744	1.6
243.12399	8.5
245.23779	0.9
249.11293	1.1
267.12521	1.5
285.13266	1.1
287.14987	0.9
291.12204	1.9
293.09976	0.9
309.13474	1.2
309.59924	0.8
327.14517	1.9
341.11285	3.9
342.11224	1.1
347.18552	1.2
353.23196	3.3
371.24338	14.3
380.61783	0.8
387.16721	5.7
413.25461	2.3
431.18915	1.2
453.36902	0.8
474.04602	1.0
483.23282	1.3
509.20184	3.5
551.21259	3.5
569.22241	100.0
570.22107	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	569.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.7
58.00587	2.0
59.01379	50.0
66.79159	0.8
70.89005	1.6
70.89349	0.8
71.01379	32.7
71.13695	0.8
72.99300	2.2
73.02953	1.2
78.95874	1.1
79.95728	1.5
80.02666	1.1
81.03445	1.9
83.01394	1.6
83.05003	4.1
84.02169	1.4
85.02938	5.5
87.00854	1.7
89.02440	54.0
94.98084	1.4
95.01392	1.7
96.96010	40.1
96.96931	1.6
101.02447	18.7
111.96932	0.7
113.02454	16.2
113.92632	0.9
119.03494	17.5
125.02441	1.1
131.03491	2.1
135.08217	0.7
143.03484	3.6
149.04538	1.2
153.09203	1.1
161.04553	4.7
163.11247	3.3
163.46443	0.7
165.12845	2.0
171.10225	5.7
179.05592	17.8
181.12369	0.7
209.11816	79.2
210.12181	2.4
210.16576	0.8
227.12877	50.5
228.13235	1.7
341.10864	100.0
342.11087	3.3
367.17584	1.6
397.13431	3.0
415.13995	1.8
427.19690	1.0
472.22177	0.8
569.24530	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	569.264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.4
68.64883	0.1
69.53278	0.1
71.01381	0.3
71.52097	0.2
72.99325	0.2
73.02944	2.1
75.00858	0.4
86.35896	0.1
86.55948	0.1
89.02448	0.2
90.22926	0.1
95.62569	0.1
96.96028	0.1
97.69291	0.1
98.44550	0.1
99.00858	0.3
99.92580	7.6
100.32788	0.1
100.92598	0.2
101.02467	0.2
109.02947	0.5
113.02413	0.2
114.93448	0.1
116.92857	100.0
117.01933	4.6
117.92868	2.5
135.04530	0.3
136.11595	0.1
157.41785	0.1
160.61423	0.1
171.10226	0.4
306.44690	0.1
397.13242	0.2
525.09686	0.1
569.23975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25441	0.8
57.03447	0.8
59.01377	100.0
60.94165	0.7
61.98832	2.7
67.16985	0.7
68.99544	0.8
69.34962	6.7
71.01385	9.0
72.99296	3.5
73.02941	3.6
78.95892	2.7
83.01363	1.6
85.02951	4.9
87.00893	1.0
89.02416	1.2
98.20615	1.5
99.00872	1.7
101.02419	5.2
113.02429	3.8
133.02858	0.9
135.04514	3.0
141.46220	0.8
152.99525	2.2
159.03035	0.9
161.02411	2.7
161.04506	4.2
173.04488	2.2
177.01903	1.2
179.03488	1.5
187.07518	1.2
231.10187	1.3
284.03342	1.0
371.14532	1.0
465.28604	5.1
483.29626	8.7
525.30768	12.3
526.31055	1.2
527.28455	1.0
569.29773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01377	100.0
61.98825	6.9
71.01373	10.0
71.07331	1.6
72.99306	3.4
73.02938	3.3
78.95899	2.3
83.01385	1.4
85.02954	4.4
88.98824	1.1
89.02432	2.9
91.70443	1.0
96.95981	2.1
99.04552	1.1
101.02460	7.0
106.06633	1.2
109.02927	1.8
113.02458	2.9
123.04475	1.7
123.58782	1.0
125.02381	1.1
133.02934	2.5
135.04535	3.7
137.02406	1.8
150.03221	1.5
153.05510	1.0
154.83453	1.2
161.02386	3.1
161.04495	3.4
163.03929	1.3
165.01917	3.4
173.04588	1.7
179.03520	2.5
181.05057	1.4
245.79250	1.1
275.08981	1.3
294.87109	1.2
307.06259	1.1
404.52252	1.0
483.29764	8.5
483.36230	1.8
508.99637	1.1
525.30048	1.5
527.28107	1.2
569.23145	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	570.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75667	0.4
57.03444	1.4
59.01372	3.0
61.98826	2.2
71.52055	0.8
78.95902	27.4
79.95760	0.4
99.87280	0.4
107.65245	0.5
109.06635	0.5
113.09719	4.9
114.10087	0.5
133.02951	0.8
134.03783	0.5
134.98538	0.5
136.05740	0.5
152.99622	4.0
161.02432	0.9
168.04314	4.9
171.10258	1.7
179.14459	0.7
181.12361	0.8
195.13910	19.5
196.14268	1.2
209.11752	0.6
222.46925	0.4
224.06929	10.2
242.08063	3.2
277.21704	17.3
293.21216	16.0
294.21564	1.5
295.22763	64.0
296.23215	3.2
384.17801	0.6
483.08395	0.7
518.28766	8.1
519.29694	1.0
520.30408	100.0
521.30676	5.6
564.35260	0.5
570.28442	2.4
585.45105	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99961	0.3
57.03447	0.6
59.01374	2.2
60.54331	0.4
61.98825	2.3
62.59645	0.3
66.56533	0.4
69.44966	3.0
74.28384	0.4
78.54430	0.4
78.95900	9.4
87.63456	0.4
96.04441	0.5
97.06567	0.6
113.09740	2.1
135.04594	0.5
152.99568	1.7
161.02473	0.4
168.04321	3.1
173.78928	0.4
177.12857	0.5
179.14398	1.4
181.12288	0.6
195.13887	22.6
196.14273	0.6
209.11807	1.1
224.06996	1.8
242.08034	3.1
251.23801	0.6
258.89459	0.4
277.21701	19.0
278.21960	0.8
291.24164	0.4
295.22763	100.0
296.23157	5.5
478.20343	0.4
520.30420	91.6
521.30707	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01378	50.6
61.98826	3.5
62.89965	0.6
65.87028	0.7
69.03471	0.8
70.43964	1.4
70.44300	1.0
71.01379	6.7
73.02946	8.7
83.01380	7.5
85.02955	2.8
88.98822	1.0
89.02435	1.1
93.03461	12.1
95.01395	0.8
96.96012	1.3
97.06602	1.0
99.04530	1.3
101.02438	7.5
107.04987	0.7
109.02932	3.4
109.06623	0.8
113.02460	3.3
116.80516	0.7
116.92912	0.7
121.02954	42.7
121.06590	0.7
123.00884	4.7
123.04504	11.5
124.01662	20.9
125.02406	2.5
133.01616	0.6
135.04512	1.6
137.02463	1.3
138.03212	2.9
139.04008	100.0
140.04370	1.4
143.03508	1.2
150.03204	1.1
161.04518	1.5
165.01962	1.0
165.05511	0.9
166.70470	0.7
167.10745	2.3
168.00694	0.7
173.04411	0.6
177.05624	0.8
181.05074	2.3
191.05620	0.8
207.13898	2.5
209.11809	4.6
210.12331	0.6
225.14938	6.0
226.08093	0.7
227.12866	27.1
228.13319	0.7
233.11787	1.3
251.12840	2.0
269.13898	5.1
283.08093	3.5
285.09662	0.8
287.15015	10.6
301.09216	1.9
311.14914	0.7
329.15881	1.4
341.84732	0.8
343.10507	3.1
349.20215	10.9
371.17209	1.3
391.21216	2.5
409.58737	0.8
413.18103	1.6
413.23288	0.7
423.12616	0.7
431.19193	6.9
535.21667	2.4
553.22876	35.1
554.23364	3.4
571.23938	65.9
572.24573	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	571.2885
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
61.43296	0.5
61.98833	0.9
70.74524	0.5
70.74857	1.1
78.95902	85.8
81.35069	0.5
87.62698	0.5
89.83102	0.4
96.96028	1.0
96.96957	14.8
120.08408	0.5
125.02442	0.5
145.28767	0.6
150.98007	1.5
152.99580	81.2
153.47083	0.5
155.09465	0.5
166.23018	0.5
171.00638	6.5
204.98976	0.6
217.09102	0.5
220.44678	0.5
223.00070	6.0
241.01180	22.4
255.23268	27.3
256.23584	1.3
259.02216	1.2
315.04807	4.1
333.05899	1.8
391.22513	0.7
479.24124	2.3
515.20087	0.6
571.28851	100.0
572.29138	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	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	33.2
61.98817	2.8
69.61239	2.4
69.61647	1.1
71.01376	0.9
78.95899	0.9
80.02684	1.1
81.03464	1.3
83.05025	4.2
84.02106	0.7
93.03469	0.8
97.54648	0.6
98.20712	0.7
102.19706	0.8
105.82354	0.6
135.04500	2.4
135.08141	1.1
137.84366	0.7
148.99171	0.7
161.02385	1.0
163.11263	2.8
165.12775	1.5
171.10237	5.2
179.03529	2.2
184.30331	0.7
209.11810	100.0
210.12111	2.4
227.12860	11.9
247.13451	1.4
294.21732	0.8
475.26807	1.2
482.03357	0.7
493.27634	1.0
519.29004	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37798	0.9
59.01379	30.3
61.98826	4.0
64.32318	1.0
69.30562	7.4
78.95902	1.4
80.96519	2.4
83.05025	4.6
85.02985	1.3
96.95995	1.2
130.12135	1.2
135.04547	1.8
135.08102	1.1
137.02425	1.3
137.43033	1.1
161.02411	2.5
163.11237	2.3
165.12827	1.8
171.10278	5.1
209.11810	100.0
210.12122	3.3
227.12811	10.3
294.21481	1.9
313.02768	1.4
364.92731	1.2
475.27173	1.6
519.29230	3.6
571.28162	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	571.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42056	0.8
61.98819	1.2
66.32902	0.7
71.52085	1.1
73.21987	0.8
94.26178	0.7
120.03862	0.8
120.25607	0.8
140.86752	0.8
160.84883	0.7
169.83392	0.8
229.53128	0.7
241.21712	100.0
242.22096	4.2
242.24405	0.7
355.20065	0.8
503.71552	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
63.60553	0.2
69.20997	0.3
69.87240	1.4
70.55476	0.3
74.46539	0.3
78.95902	0.6
93.92093	0.3
98.81889	0.3
161.02463	0.5
171.10307	0.5
263.40543	0.3
501.90976	0.4
520.30298	0.5
572.27698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08659	0.4
55.13715	0.4
57.03448	0.6
57.87772	0.4
59.01378	1.3
61.98829	100.0
63.75138	0.4
66.91976	0.5
69.45561	2.9
78.95905	9.9
86.59908	0.4
96.96013	0.5
98.20653	0.5
107.73081	0.4
113.09727	0.6
117.02055	0.4
138.56479	0.4
152.99562	1.1
161.02513	0.4
168.04359	1.8
173.04720	0.5
195.13869	6.9
196.14227	0.5
209.11832	1.0
210.12180	0.6
224.06912	4.3
224.08542	0.4
225.79799	0.4
242.08047	0.7
259.53976	0.4
277.21762	5.9
278.22125	0.9
293.21295	0.4
295.22766	23.5
296.23065	2.4
297.23419	1.3
360.14410	0.5
433.85138	0.5
520.30371	34.6
521.30688	2.5
522.31030	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	573.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.5
61.98827	3.5
69.75471	2.3
71.01376	2.8
72.84769	0.4
72.99305	0.5
73.02927	0.6
78.95892	0.8
79.95728	0.6
80.96501	0.9
82.48042	0.4
85.02929	0.6
87.00844	0.6
88.98797	0.7
89.02431	0.9
94.98061	0.5
96.96005	15.8
96.96947	0.8
97.95938	0.6
98.95592	8.2
98.96410	1.1
99.92580	15.1
100.92651	0.7
100.93365	1.6
101.02440	1.3
103.00381	0.5
113.02417	0.6
114.93496	0.5
115.92074	26.7
116.92856	100.0
117.92886	3.3
118.92642	0.6
135.04500	0.4
141.93607	1.2
142.94427	1.1
143.03482	0.5
158.93816	0.5
161.04491	0.7
169.93146	0.6
173.04662	0.5
174.93433	0.5
183.94696	0.6
184.91820	2.1
225.00671	0.8
226.96552	0.7
244.97464	0.6
451.10425	1.2
469.11621	1.5
487.12640	2.6
493.11887	0.8
511.13010	1.5
513.27112	2.2
529.13733	5.0
537.10596	0.7
541.15546	0.5
573.12653	24.0
574.13208	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	574.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.8
61.98824	10.1
62.96399	1.2
65.57230	0.7
69.28361	6.0
71.01375	1.1
78.95899	100.0
78.98576	1.0
79.95727	2.1
80.96522	7.9
83.00280	0.7
94.98068	2.0
96.96027	5.0
96.96959	6.0
98.95593	4.9
98.96189	0.7
99.92576	9.5
100.93348	1.0
108.18318	0.7
114.94935	3.2
115.92073	17.6
116.92085	1.2
116.92850	12.6
119.51093	0.6
119.52199	0.6
119.98562	0.7
129.45752	0.6
130.22540	0.6
130.96663	0.7
140.01169	1.2
141.96017	5.8
144.22533	0.6
150.98015	1.7
152.99590	25.6
163.89731	1.2
164.90535	1.3
164.98677	0.7
171.00630	3.0
172.95468	2.2
178.88405	8.0
179.89198	24.3
180.89998	12.3
181.90823	2.0
194.02264	0.7
194.87895	2.0
196.03798	0.7
196.89468	30.0
197.89268	0.9
204.89886	0.7
204.92340	0.9
205.90857	0.7
205.93097	3.1
206.91542	1.1
212.06918	0.6
225.00807	2.1
235.91783	3.0
236.92578	5.0
252.92041	1.5
275.20160	5.6
277.21735	6.9
277.95233	1.3
315.62766	0.7
400.22565	2.5
431.22192	2.3
465.13644	1.5
466.14453	3.8
472.24600	0.9
483.14792	3.7
484.14908	0.7
497.14075	1.4
500.27875	1.9
514.14148	2.4
526.16919	2.7
538.16602	7.5
539.16687	1.3
556.17633	12.3
570.15845	3.7
571.15790	0.9
574.18744	45.0
575.18463	3.2
575.26086	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94563	0.1
59.01376	0.3
61.98829	100.0
69.61781	0.7
70.34777	0.1
98.20678	0.2
101.59519	0.1
101.88686	0.1
102.34299	0.1
107.64724	0.1
118.25306	0.1
136.67737	0.1
158.43066	0.1
161.02435	0.1
194.38754	0.1
249.54041	0.1
293.48190	0.1
307.60522	0.1
331.91846	0.1
360.91638	0.1
519.08844	0.1
574.36182	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68583	0.1
54.97863	0.1
57.48056	0.1
60.50858	0.1
61.98829	100.0
69.32064	0.8
79.13390	0.1
81.90992	0.1
83.93542	0.1
87.28634	0.1
133.88765	0.1
142.16197	0.1
161.02425	0.2
171.95294	0.1
249.84274	0.1
277.36060	0.2
305.40497	0.2
338.97946	0.1
362.17627	0.1
472.21078	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	575.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	2.0
59.01378	55.1
59.31017	1.5
64.28310	1.6
68.30158	1.4
71.01379	5.5
74.68052	1.6
78.95899	20.0
84.55080	1.4
84.72415	1.4
85.02940	7.2
85.06554	2.1
87.65244	1.4
89.02448	4.6
95.48450	1.6
96.95993	4.4
96.96958	53.5
98.20706	2.9
101.02438	5.6
103.00361	5.6
103.04019	2.5
127.72676	1.5
129.05594	4.2
135.82196	1.7
147.06630	100.0
166.84500	1.6
170.60497	1.5
189.07672	30.7
214.89148	3.6
229.39059	1.8
232.90308	14.7
233.00299	4.0
233.06604	3.1
233.10205	2.2
341.10919	9.8
439.08551	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	575.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.8
57.03442	1.7
58.00578	1.2
59.01379	29.6
61.98821	1.8
65.26427	0.4
69.03456	1.0
69.16763	4.1
69.41851	0.4
71.01379	16.9
71.05012	1.9
72.99310	2.1
73.02944	14.8
75.00865	0.9
83.01382	3.9
84.02142	0.4
85.02962	3.6
87.00867	2.0
89.02437	5.0
89.16671	0.4
93.03469	0.7
95.01388	0.7
95.05000	0.5
96.96003	1.1
97.02941	0.7
97.06596	3.9
98.20604	1.0
99.00879	0.8
99.04473	0.5
101.01812	0.6
101.02442	11.0
101.03102	0.7
107.04994	0.6
109.02911	0.5
111.04478	0.4
113.02444	3.9
119.03481	1.5
119.05054	0.7
125.02408	0.6
125.06075	3.0
126.06836	0.6
135.04530	0.7
137.42638	0.4
155.10840	0.7
161.02437	1.4
169.12326	0.6
171.10233	0.6
173.04520	1.5
179.03505	0.9
181.04977	0.6
183.13887	8.1
185.11775	0.8
195.13899	1.2
197.11826	0.6
201.11143	0.7
211.13400	8.4
213.14888	0.6
219.14072	0.4
224.94208	0.5
241.14320	0.6
258.02451	0.4
259.22363	0.4
281.04486	0.6
287.10358	0.6
291.19687	6.0
299.05710	1.3
309.20706	2.0
311.22272	4.2
327.21741	3.7
327.25101	0.6
353.23285	1.1
371.24133	2.1
449.18304	0.5
471.25696	2.6
489.27057	6.0
515.28503	1.0
531.28070	100.0
532.28467	8.6
533.29803	1.2
575.21729	1.0
575.30658	11.9
576.30945	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
57.03446	1.7
59.01378	29.5
61.98830	1.4
68.99788	0.2
69.03473	0.6
71.01381	10.3
71.05023	0.4
71.52219	0.3
72.99299	1.2
73.02946	4.7
77.71930	0.2
83.01384	2.4
83.05025	0.4
85.02949	5.3
86.00119	0.4
87.00435	0.3
87.00880	1.7
87.04524	0.8
89.02445	1.7
93.03461	0.5
95.01405	0.8
96.96041	0.5
97.02967	0.9
97.06590	1.6
99.00887	1.8
99.04489	0.5
101.02437	6.9
101.06078	0.3
109.02934	0.3
110.09109	0.2
111.00902	1.0
113.02447	3.7
113.06124	0.2
116.92853	0.2
119.03522	0.5
119.05011	2.6
123.04521	0.3
123.08197	0.6
125.02471	0.8
125.09714	1.1
127.11343	0.3
129.01956	0.4
133.02911	0.3
135.04526	1.0
137.02458	0.4
137.09721	0.8
139.11305	2.4
141.12868	0.6
143.03561	0.3
149.09656	0.2
151.11288	0.4
153.01988	0.3
153.05611	0.4
155.10780	0.7
157.12320	1.4
159.03058	0.4
161.02438	1.0
161.04567	0.5
163.03998	1.5
167.10818	0.4
169.12303	1.4
171.10336	0.3
173.04594	0.5
177.01875	0.2
179.03531	0.4
185.11823	9.1
186.12399	0.3
197.04495	0.3
213.11298	1.0
214.12102	2.0
215.12866	0.9
228.13654	0.4
241.14462	0.5
243.16008	2.5
302.31232	0.2
305.21103	0.3
309.24277	0.4
311.22229	0.5
317.21320	0.3
325.23813	0.3
327.21939	0.3
327.25363	0.8
335.22424	0.5
337.24097	0.3
341.23245	5.4
353.23270	6.5
355.24814	3.0
369.22952	0.4
371.24344	40.9
372.24704	2.4
385.25974	0.5
413.25378	2.7
431.22635	1.5
455.26370	0.2
455.56467	0.3
471.29852	0.4
473.23886	0.5
489.30939	0.5
503.28799	0.6
515.28613	4.0
531.28076	1.0
532.27441	0.3
533.29718	5.6
545.29871	0.2
557.29639	0.3
575.30695	100.0
576.30981	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	575.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	15.7
61.98822	0.3
68.58097	0.3
69.37573	0.7
69.37972	2.0
71.01382	3.0
73.02953	0.7
78.64422	0.3
78.95911	2.6
81.03410	0.3
83.01384	0.4
85.02971	0.8
87.00879	0.5
89.02437	2.3
89.23779	0.3
99.00890	0.5
101.02435	2.9
113.02451	1.5
114.22443	0.3
118.62720	0.3
118.99307	0.3
119.03473	0.5
158.57968	0.3
161.04521	1.0
165.89285	0.3
179.89207	0.3
180.89944	0.6
186.60826	0.3
196.89421	0.7
227.98129	0.4
235.08192	1.5
236.92474	0.4
253.09277	13.7
279.23270	100.0
280.23657	4.1
474.23383	0.3
499.15625	0.8
515.32684	0.3
575.17358	0.4
594.28516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	0.2
59.01379	11.4
61.98817	0.9
62.61261	0.2
69.37976	0.6
69.38403	1.1
71.01382	2.4
73.02942	0.6
78.95905	5.4
83.01387	0.3
85.02963	0.9
87.00877	0.4
87.68347	0.3
89.02430	1.9
89.90111	0.2
96.95986	0.2
96.99323	0.3
97.69765	0.2
99.70612	0.2
101.02440	2.6
113.02448	1.1
115.58350	0.2
116.92855	0.4
119.03490	0.8
124.42707	0.2
125.83121	0.2
131.03421	0.2
133.05070	0.4
150.98009	0.6
151.13417	0.2
152.99603	0.2
160.66277	0.2
161.04561	1.0
178.88412	0.6
179.89230	1.5
180.90015	1.1
194.87975	0.2
196.89450	1.5
218.91637	0.3
235.08258	1.8
236.92563	0.9
253.09277	13.1
254.09549	0.4
279.23273	100.0
280.23627	4.4
499.15698	2.7
515.32849	0.3
575.17120	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59569	1.1
57.03432	1.4
58.00060	1.0
59.01377	2.7
61.98819	3.9
64.28335	0.9
65.11903	1.0
67.01871	1.3
69.03462	9.0
70.78899	1.7
71.01388	1.4
71.05019	3.4
79.68286	1.0
89.02414	1.0
96.96046	1.1
96.97018	0.9
97.06578	1.7
110.03804	1.1
123.08141	1.3
125.09720	4.7
137.09735	2.0
141.27599	1.0
149.09790	1.4
151.11304	5.9
153.12810	2.3
161.09706	11.0
179.10774	35.2
180.11157	1.6
197.11827	89.2
198.12175	3.5
223.09734	5.7
241.10814	13.0
277.21710	65.4
278.22012	3.5
297.13287	7.8
315.14490	22.8
322.39557	1.1
512.77618	1.0
575.35876	100.0
576.36292	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	576.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41939	0.2
61.11493	0.2
61.98828	100.0
69.20220	2.1
86.35172	0.3
165.62967	0.2
208.22716	0.2
219.78572	0.2
261.52206	0.2
279.22507	0.3
305.60077	0.3
380.62952	0.3
492.71829	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
62.49897	0.2
64.43037	0.2
69.19640	0.9
69.20065	0.8
80.96497	0.2
98.19907	0.3
118.22147	0.2
135.95720	0.2
186.38153	0.2
225.00841	0.2
249.30547	0.2
278.22110	0.3
279.22513	0.2
388.82785	0.2
416.83224	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	576.3304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35190	0.3
59.01377	17.9
69.19657	0.4
69.19942	0.8
69.20344	2.3
71.01373	1.2
73.02951	0.4
78.22531	0.3
78.95907	5.5
78.98610	0.7
79.05013	0.3
79.58461	0.3
79.95721	1.3
80.96030	0.5
80.96513	9.2
87.00896	0.5
94.98090	2.0
98.20685	0.6
101.02457	0.4
122.97554	0.7
125.02458	0.3
133.63197	0.3
134.97615	0.6
140.46024	0.4
144.18422	0.3
145.47264	0.3
148.99150	0.4
152.98582	1.0
152.99617	1.3
164.98633	1.8
168.04298	1.2
181.72043	0.4
182.99677	0.4
224.06932	1.0
225.00682	2.5
233.22813	0.6
240.68286	0.4
242.07939	3.1
264.63330	0.4
275.20142	0.5
275.41983	0.3
277.21701	100.0
278.22052	5.5
296.41919	0.4
299.04343	0.7
325.43958	0.5
388.45114	0.4
447.09985	0.4
502.29373	40.3
503.29550	3.2
577.26819	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2684
Annotation	6-Desacetylscilliroside
Peak:m/z	Relative Intensity
51.31951	0.3
53.60189	0.3
59.01371	0.7
63.96232	0.7
68.24854	0.3
69.67210	1.6
71.01387	4.6
73.02943	0.9
78.98590	4.0
79.95737	5.5
80.96516	46.2
81.03452	0.6
85.02945	2.1
87.00871	1.7
94.98088	11.5
94.99843	0.3
96.96011	0.7
97.02954	1.2
101.02447	2.2
106.98079	2.4
109.08485	0.3
110.48432	0.3
113.02471	0.6
122.97585	4.3
125.02433	2.5
127.04002	0.9
134.97556	3.1
136.99106	1.1
142.36143	0.3
148.99130	4.3
149.00206	0.5
152.98634	6.4
164.98621	9.4
167.00154	0.4
182.99648	1.7
188.98732	0.3
206.99661	2.7
210.09178	0.3
225.00739	18.2
243.01831	1.7
249.48495	0.3
268.88123	0.3
270.21396	0.4
277.21667	2.6
278.98303	0.3
299.04367	2.5
317.05515	0.4
361.88263	0.3
577.26843	100.0
578.18433	0.7
578.27118	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.1
61.86594	0.3
63.96236	1.0
66.34586	0.3
69.03448	0.6
69.28762	2.3
69.29176	1.1
71.01382	7.6
73.02930	2.0
78.95896	0.9
78.98589	5.3
79.95736	10.4
80.96516	75.9
81.03465	0.6
83.01356	0.6
85.02953	2.8
87.00883	2.3
94.98083	16.8
96.96004	1.4
97.02937	1.5
98.19761	0.5
99.00877	0.5
101.02436	2.8
106.98084	3.5
122.97568	3.0
125.02438	2.8
127.03998	1.1
134.97589	4.9
136.99136	1.6
148.99136	6.7
152.98627	6.2
152.99753	0.6
164.98625	12.8
168.04280	0.4
179.44591	0.4
188.98763	0.5
205.65718	0.4
206.99715	2.5
225.00732	15.8
259.53940	0.4
277.21954	1.7
279.23279	21.1
292.61734	0.4
299.04398	3.1
504.30975	6.6
577.26849	100.0
578.27081	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	577.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16439	0.2
50.58108	0.3
51.18446	0.2
57.03449	1.6
58.00600	0.7
59.01378	13.5
61.98828	2.3
71.01378	4.5
71.05035	0.7
71.52081	0.4
72.99332	0.6
73.02948	3.2
74.42896	0.2
80.05087	0.3
83.01408	1.1
83.05048	0.3
85.02952	1.7
87.00903	0.7
87.04530	0.7
89.02446	0.8
93.03484	1.1
95.01421	0.6
96.96006	2.8
97.02961	0.5
97.06618	0.8
99.00922	0.3
99.04539	0.3
101.02441	3.7
103.04039	0.3
106.06587	0.3
108.02206	0.3
111.08200	0.4
113.02473	2.0
116.92961	0.3
119.04990	0.6
121.10258	1.1
123.04524	0.3
123.08172	1.3
125.02487	0.7
125.09710	0.7
127.11276	0.3
133.02945	0.5
134.06125	0.7
135.04533	1.5
137.02385	0.4
137.09657	0.4
139.11276	2.0
141.09250	0.3
141.12863	0.8
143.03537	0.3
151.11327	0.5
152.01230	0.4
155.03549	0.3
155.10789	0.5
157.12347	1.2
161.02446	0.8
163.04054	0.5
164.04352	0.3
165.05588	2.3
167.03510	0.4
169.12296	1.3
171.10307	0.5
173.04543	2.1
177.01932	0.7
179.03549	0.8
181.05031	0.5
185.11810	5.9
186.12024	0.3
187.13303	0.4
188.07040	0.3
191.05664	0.5
199.13441	0.5
201.11307	0.8
209.11954	0.4
214.12163	0.7
215.12866	4.9
229.14316	1.4
242.02362	0.6
267.19574	0.3
295.10870	0.8
307.10944	0.8
311.22305	0.4
313.23743	0.6
319.22711	0.4
325.23843	1.2
327.21826	0.4
327.25540	0.3
329.23270	0.8
337.23862	0.9
341.23123	0.4
343.24866	4.0
355.24878	9.9
356.25110	0.6
357.26697	0.4
371.19574	0.3
371.24011	1.2
372.24701	0.7
373.25909	100.0
374.26248	5.4
387.27524	1.6
397.26230	0.2
415.26965	6.4
416.27203	0.4
433.24277	0.9
442.17422	0.6
457.27878	1.0
473.27280	0.5
475.25467	0.6
491.28934	0.5
502.19870	2.5
517.29553	0.6
533.29620	5.4
534.29999	0.3
535.31183	0.8
546.19073	2.1
577.15234	0.7
577.22577	1.8
577.32074	9.1
578.21753	0.6
578.32849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08258	0.2
59.01376	12.7
61.98811	0.5
69.24658	1.9
69.25084	0.5
71.01377	2.6
73.02951	0.9
78.98586	0.3
79.95755	0.3
80.96500	2.2
83.01386	0.5
85.02950	0.8
87.00858	0.7
89.02438	1.7
90.55512	0.2
94.98071	0.4
97.64925	0.3
98.19901	0.5
99.71260	0.2
101.02438	2.4
103.48752	0.2
113.02453	1.1
119.03477	0.6
134.97586	0.3
143.03539	0.4
148.99132	0.3
161.04543	1.0
163.53732	0.3
164.98595	0.3
175.73662	0.2
181.54875	0.3
204.81001	0.2
225.00743	0.7
235.08174	1.8
253.09270	12.3
254.09534	0.3
279.23273	0.4
281.24826	100.0
282.25195	6.2
299.04556	0.4
517.34021	0.6
577.26849	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.5
61.98824	1.9
71.01370	2.2
73.02927	0.7
78.95889	0.7
80.96517	1.8
86.48157	0.5
89.02451	1.8
101.02462	2.9
113.02451	1.1
113.99416	0.5
118.68102	0.5
128.77779	0.5
133.05087	0.5
161.04572	1.2
235.08211	2.0
253.09314	12.1
277.21548	0.8
281.24854	100.0
282.25238	4.6
360.56607	0.7
473.82996	0.5
524.64496	0.7
577.27008	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09611	0.7
57.03446	35.8
59.01378	54.3
61.98827	100.0
62.55106	0.8
66.84646	0.7
71.01379	10.6
71.51818	0.7
72.18195	0.7
72.99327	0.9
73.02942	4.1
75.00819	0.8
80.96517	1.4
81.03439	1.0
83.01385	2.0
85.02953	4.8
89.02431	1.9
93.03487	1.4
95.01325	0.9
96.96032	2.4
99.00887	2.4
99.04514	47.7
100.04884	1.1
101.02438	18.9
113.02432	4.9
114.86912	0.7
119.03521	1.1
123.04552	1.7
125.02440	25.1
135.04546	1.3
143.03519	3.7
148.40074	0.8
152.01175	2.1
159.02989	1.2
161.04552	3.3
167.03513	1.8
173.04597	3.4
175.47090	0.9
177.63339	0.9
179.03532	1.1
191.05618	0.9
209.15437	1.7
258.07544	0.7
301.79736	0.9
353.19675	4.5
371.20728	12.4
372.21158	0.9
375.27634	1.7
413.21811	14.4
435.22488	3.9
453.24988	1.8
471.26160	3.6
477.23413	1.3
515.24884	39.9
516.25439	2.2
578.26996	1.1
578.34174	1.5
579.27014	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	578.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83133	1.1
61.98826	8.9
71.52088	1.4
71.52459	1.2
78.95900	55.6
80.96505	1.6
99.17856	1.4
122.00104	3.2
140.01175	16.6
149.03525	1.3
151.07637	1.5
152.99606	5.9
161.02394	1.3
170.05809	1.9
174.52292	1.2
196.03767	19.1
199.90703	1.2
214.04880	5.8
233.19090	2.4
235.20523	2.0
251.20135	18.4
277.18063	84.4
278.18472	3.6
279.19632	34.1
279.22897	2.1
280.19943	1.6
293.21124	2.0
295.19131	81.6
296.19458	3.2
306.18161	2.1
363.25500	10.7
370.74225	1.2
381.26508	5.7
426.14310	1.4
434.28729	1.9
492.23685	51.0
493.24057	4.2
518.28754	2.4
578.31000	100.0
579.31738	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	578.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17670	0.9
55.53529	0.7
57.01074	0.8
57.03455	0.9
60.82993	0.7
61.73057	0.9
61.98827	4.4
67.16043	0.8
69.18836	8.5
78.95901	9.8
81.30869	0.9
90.76566	0.8
116.54625	0.9
140.01164	3.3
152.99577	2.3
153.12892	4.1
163.11334	1.0
165.12816	4.7
170.05766	1.5
179.10733	3.1
181.12343	17.4
192.11530	1.2
196.03754	1.5
197.11844	4.7
199.13385	100.0
200.13766	2.9
214.04768	4.6
215.12828	1.9
279.23294	2.1
285.45862	1.0
293.21246	0.9
294.82571	0.8
346.43393	0.9
363.25314	5.7
381.26495	4.4
394.16953	0.9
396.17883	21.3
518.29065	1.4
533.81970	1.0
578.31012	41.0
579.31085	3.7
607.75421	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66430	1.0
58.24314	0.9
59.01368	1.3
61.47215	0.9
61.98828	8.6
71.52695	1.3
72.99301	0.9
74.61705	0.9
75.88692	1.0
78.95896	17.0
80.91750	1.0
140.01201	6.4
140.08458	1.0
147.36861	0.8
151.07642	1.1
152.99556	1.6
161.02478	2.0
164.08406	1.1
170.05847	1.9
173.04489	1.8
187.23097	1.0
192.11633	1.8
196.03792	3.1
214.04825	5.9
233.19051	1.7
235.20663	2.1
251.20226	10.3
277.18066	83.3
278.18411	4.1
279.19623	34.7
280.20193	1.7
295.19122	100.0
296.19617	4.6
363.25323	15.2
379.51263	1.0
381.26453	7.7
469.45380	1.1
469.82544	1.0
492.23563	19.0
492.29742	0.8
578.30963	61.3
579.31384	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.2
61.98828	100.0
69.24060	0.3
69.24470	1.4
78.95910	1.5
79.95739	0.2
80.96523	0.3
93.84848	0.2
96.96005	6.0
96.96612	0.3
113.92631	0.3
152.99640	0.6
169.87558	0.2
194.89981	0.3
234.93251	0.2
239.59956	0.2
245.04495	0.3
279.23264	0.9
280.23752	0.7
281.24051	0.4
282.24469	0.3
481.25873	0.8
508.77994	0.2
578.20782	0.2
579.19067	0.6
579.28369	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37312	0.1
58.97404	0.2
59.01371	0.2
61.98827	100.0
62.16627	0.2
63.91314	0.1
68.54418	0.1
69.93004	0.6
77.71738	0.1
78.95903	1.5
80.96522	0.3
96.96006	2.7
113.92661	0.3
114.93422	0.3
117.20996	0.1
121.56606	0.1
132.53015	0.1
152.99603	0.6
177.89789	0.3
178.90475	0.2
194.89995	0.2
196.89528	0.1
279.23383	0.9
280.23697	0.5
281.23959	0.3
282.24292	0.2
308.96756	0.2
321.41589	0.1
504.31122	0.4
536.87781	0.2
579.18921	1.1
579.28027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.0
65.34935	0.3
70.03531	0.9
71.01385	0.9
72.83949	0.4
74.25806	0.3
78.95901	6.0
78.98599	0.9
79.95732	1.6
80.96515	10.2
81.96461	0.4
87.00903	0.6
94.98100	2.1
101.02447	0.5
116.53563	0.3
122.97580	0.4
134.97591	0.4
143.24176	0.3
148.52751	0.3
148.99173	0.4
152.98555	0.4
152.99614	1.2
158.18684	0.3
164.98622	1.1
168.04317	1.2
179.99440	0.3
224.06873	0.8
225.00816	1.6
226.01001	0.4
234.02037	0.4
242.07974	3.0
261.22400	0.4
268.81839	0.3
273.89169	0.3
274.64972	0.3
279.23282	100.0
280.23657	4.9
283.84833	0.3
300.04800	0.3
504.30969	38.2
505.31305	2.9
545.29797	0.3
578.27173	16.4
579.27271	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	578.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	22.0
61.98814	0.6
69.19850	3.8
71.01380	0.8
72.45190	0.4
78.95905	23.0
79.95731	0.6
80.96511	7.6
81.03522	0.4
85.69443	0.3
91.79790	0.4
93.17197	0.4
94.98081	1.8
96.96889	0.4
98.20734	0.5
122.97580	0.8
122.98519	0.5
132.21928	0.4
134.97569	0.7
148.99100	0.6
152.98520	0.5
152.99651	2.9
164.98615	0.6
168.04283	3.4
224.06926	8.9
225.00833	2.2
242.07974	2.5
243.01761	0.4
247.95544	0.4
261.22311	0.6
279.23273	100.0
280.23639	5.0
298.72556	0.4
299.04462	0.4
301.61060	0.4
461.34875	0.4
504.30942	84.2
505.31262	6.8
510.25308	0.5
579.28412	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.5
57.54139	0.2
59.01383	5.3
61.50487	0.2
61.98839	1.5
70.21004	0.8
71.01385	1.7
72.99309	4.1
73.02954	0.9
75.00874	1.8
83.01390	0.3
85.02943	0.5
88.98795	0.5
93.03463	0.9
95.05067	0.3
96.96008	0.7
101.02433	0.7
105.01932	100.0
106.02279	0.5
109.02966	1.7
113.02444	0.3
119.05057	0.4
121.02937	0.5
123.04530	0.8
125.02439	0.3
129.01945	0.3
132.02168	0.6
133.02953	9.6
134.03740	0.3
135.04520	7.6
136.04831	0.3
137.02388	0.3
145.02914	0.5
148.03973	0.3
149.02431	3.5
150.03218	3.2
159.03105	0.3
159.04468	0.3
161.02435	58.4
162.02756	1.2
163.04033	0.4
172.05276	0.3
173.04547	2.1
174.03098	0.4
177.01930	0.3
179.03496	5.7
181.05057	0.4
186.72372	0.3
191.05574	0.5
191.53600	0.3
192.91032	0.3
211.07738	0.3
219.60260	0.3
221.04451	0.8
227.10960	0.3
250.06244	0.4
267.04971	54.7
268.05145	1.3
273.20651	0.4
281.09406	0.4
283.06018	0.4
311.02188	0.4
311.05600	6.2
312.06116	0.8
313.07083	0.5
313.23740	0.4
329.23141	0.5
331.18961	0.9
331.24936	4.8
341.06592	0.4
341.15005	0.3
345.20435	0.6
355.08487	0.2
373.20029	0.7
373.25433	0.3
374.25446	0.3
399.07114	1.0
429.07898	1.0
435.25662	0.3
475.28766	0.6
493.30219	1.4
534.29413	0.5
535.23901	0.4
535.31201	5.0
564.19696	1.4
578.32373	2.0
579.11194	0.7
579.33752	1.3
579.41638	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.5
57.03451	2.2
59.01377	12.5
60.99269	0.4
61.98828	3.7
69.30395	3.5
71.01386	4.0
72.99298	0.9
73.02949	4.1
75.00902	0.5
79.05553	0.5
80.02218	0.5
80.02711	0.7
83.01389	5.8
83.05031	1.7
85.02964	1.6
87.00861	2.2
88.98805	0.8
93.03465	1.9
95.05036	0.7
96.96023	1.1
97.06616	0.8
98.20715	1.0
99.00825	0.5
99.04527	1.4
101.02441	4.4
107.05038	2.7
108.02174	30.9
109.02950	1.8
109.06558	0.6
113.02464	1.8
115.91997	0.5
119.05044	0.6
120.05797	1.2
121.02945	0.9
121.06560	0.5
123.04524	14.6
125.02402	0.8
125.06090	0.7
133.02953	1.4
133.06642	0.5
133.10210	0.6
134.03735	23.4
135.04480	1.9
135.08153	0.8
137.02457	4.3
137.09673	1.1
139.04022	1.6
143.03548	0.4
147.08177	0.8
149.02498	0.7
149.06087	8.8
150.03250	0.8
152.01146	65.9
153.01605	1.1
157.06624	0.5
159.08189	0.8
159.11784	0.5
161.02481	0.7
161.04556	0.7
161.09734	5.3
161.13347	1.9
163.03983	0.8
163.07611	1.9
163.11270	1.3
167.03491	100.0
168.03821	2.2
173.04556	3.1
178.02702	14.8
179.03401	1.4
179.10803	1.3
181.08685	1.5
187.11276	5.5
189.09206	4.4
189.97444	0.4
191.05557	0.6
193.05054	35.8
194.05408	0.8
197.11829	1.6
203.10806	2.1
205.12364	2.3
207.10266	1.8
223.09830	2.3
223.13310	2.9
229.12466	0.6
231.10370	2.6
241.10838	1.5
247.09659	0.8
249.11282	3.4
252.09120	0.5
265.10858	0.8
267.12488	3.1
273.11264	1.5
291.12381	1.4
307.12012	0.6
309.13257	0.7
315.12451	1.0
325.12820	0.9
329.08829	1.0
333.13574	2.6
351.14429	1.0
373.26044	0.8
374.26358	0.6
375.27264	1.0
385.15228	3.5
411.16586	14.2
412.16800	0.7
519.31494	0.8
561.19922	0.6
578.32574	0.6
579.20776	33.4
579.33484	2.5
580.21246	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	579.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
56.80420	0.3
57.03444	1.9
59.01379	9.5
60.99286	0.5
61.98824	3.1
65.66643	0.3
69.96690	0.6
69.97087	1.2
71.01382	3.5
72.99303	0.7
73.02943	3.0
76.79458	0.3
79.05540	0.3
83.01387	4.1
83.05026	1.0
83.08931	0.3
85.02962	1.3
85.31578	0.3
87.00889	0.6
87.09928	0.3
88.98792	0.7
89.02451	1.2
93.03451	1.8
95.05053	0.5
96.96032	0.7
97.02940	0.7
97.06569	0.5
99.04504	1.8
101.02441	2.9
105.01952	0.3
106.04288	0.4
106.71880	0.3
107.04947	0.4
109.02939	1.1
109.06626	0.4
111.00903	0.6
111.04500	0.5
113.02449	1.4
119.03513	0.5
119.05013	0.7
119.08649	0.9
121.02964	2.2
121.06595	1.1
122.03651	0.3
123.04530	1.8
125.02416	1.0
125.06075	0.9
133.02953	2.0
133.10175	0.3
134.03738	43.2
135.04459	2.0
135.08147	1.3
137.01466	0.6
137.02449	8.3
137.03505	0.4
137.09674	2.4
139.04047	2.5
141.05545	0.5
143.03522	0.4
149.06078	14.0
150.03209	1.0
153.05565	1.1
155.03493	0.4
159.11798	0.4
161.02390	1.0
161.04559	0.4
161.09721	1.9
163.07645	3.9
165.01842	0.7
165.09203	0.6
167.03505	0.5
171.10246	0.3
173.04521	2.0
177.09216	0.4
178.02707	35.7
179.03453	1.8
179.05597	0.4
179.10756	2.3
181.05154	0.4
181.08708	5.5
191.05609	0.7
191.10896	0.4
193.05045	100.0
193.91626	0.3
194.05391	2.8
195.10263	0.9
197.04660	0.3
197.11830	2.8
200.99579	0.4
203.10777	1.1
205.08691	0.9
208.78104	0.3
217.68301	0.3
221.11871	0.5
222.67769	0.3
223.09779	6.2
229.08591	0.7
237.11237	0.4
241.10831	5.0
245.11821	0.4
247.09760	1.2
265.10852	2.4
283.11792	1.7
289.10730	0.7
307.11801	1.6
325.12900	2.7
385.15012	11.1
386.15295	0.6
516.24756	0.5
519.31769	2.0
579.20770	15.1
580.21106	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
57.54426	0.5
59.01377	13.3
59.62710	0.5
61.98828	3.7
63.16741	0.5
69.03448	0.8
69.30345	3.5
70.20651	0.4
71.01365	4.2
72.99305	0.5
73.02943	3.4
80.02686	0.6
83.01389	6.2
83.05011	1.7
85.02943	1.6
87.00876	1.5
88.98799	1.0
93.03460	1.0
95.05016	0.6
95.49533	0.5
96.96035	1.0
97.02962	0.5
97.06568	0.9
98.19896	1.0
99.04523	1.0
101.02445	3.9
101.30223	0.4
107.05019	3.0
108.02167	28.7
109.02938	1.8
109.06599	0.6
111.00952	0.5
113.02473	1.6
116.92879	0.5
119.50294	0.4
120.05807	0.9
121.02940	1.0
121.06573	0.6
123.04520	15.0
124.04811	0.7
125.02421	0.6
125.06097	0.7
128.28154	0.5
133.02969	1.4
134.03734	23.0
135.04565	2.4
135.08179	0.7
137.02434	4.3
137.09610	0.5
139.04041	1.1
147.08156	0.8
149.06073	7.0
150.03198	0.7
151.04037	0.5
152.01143	67.4
153.01656	1.6
161.02499	0.6
161.09721	5.0
161.13326	1.8
163.07623	1.8
163.11237	1.1
165.17975	0.4
167.03484	100.0
168.03827	2.8
173.04584	3.2
178.02696	14.1
179.03459	1.4
179.10739	0.8
181.08687	1.5
187.11270	5.7
189.09213	4.9
191.05699	0.9
193.05034	36.1
194.05414	1.0
197.11774	1.5
203.10725	1.8
205.12347	2.8
207.10257	2.7
209.11757	0.6
221.11887	0.7
223.09778	1.5
223.13344	4.2
229.12309	1.0
231.10239	2.3
241.10760	1.4
247.09679	1.1
249.11330	4.2
260.24789	0.5
265.10828	0.8
267.12384	3.5
273.11313	0.7
283.11871	0.7
291.12369	2.0
305.14182	0.5
306.12082	0.5
307.11810	0.6
309.13358	1.3
315.12338	0.9
325.12872	0.9
329.08890	0.9
333.13290	2.2
351.14432	1.5
357.25925	0.6
373.25949	0.9
374.26193	0.7
375.27219	1.0
385.15039	4.2
411.16556	15.1
412.16821	1.2
519.31989	0.8
578.32776	0.6
579.20795	33.2
579.34399	2.8
580.21167	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	579.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43872	1.3
59.01381	15.2
61.98834	5.8
69.03455	1.2
69.04414	1.0
69.11758	1.0
69.15912	10.4
71.01372	8.9
72.99322	1.3
73.02946	10.2
78.69058	1.1
78.95879	3.2
80.96503	2.4
82.72501	1.2
83.01398	3.1
85.02953	1.3
93.03474	4.1
96.96039	1.6
101.02448	9.4
109.77731	1.3
113.02434	2.1
119.62828	1.1
120.15509	1.2
137.02438	1.9
141.49232	1.1
149.04518	1.3
152.99719	1.3
161.02464	2.5
161.04559	1.5
163.04039	2.0
173.04546	11.7
178.02713	1.5
179.03427	1.2
201.12872	6.8
207.10204	1.4
225.00464	1.3
269.19077	19.1
277.18127	2.8
278.18414	2.4
279.19614	1.6
280.19733	1.2
287.20187	6.0
293.17462	1.2
295.19174	3.4
296.19452	3.3
313.18085	62.3
314.18466	3.7
331.19138	100.0
332.19366	6.6
345.20624	4.3
364.25708	1.2
373.20163	18.9
374.20404	2.0
415.21359	1.6
475.23340	3.6
535.25427	31.7
536.25958	3.2
579.23657	6.0
579.32867	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	579.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.42940	0.5
59.01378	5.0
61.98817	1.5
69.15727	4.9
69.16138	1.4
71.01382	3.2
72.99299	1.0
73.02937	2.6
77.93352	0.6
85.02967	0.7
101.02454	1.6
125.02474	1.1
133.03058	0.5
135.04514	1.3
137.02393	1.6
159.19743	0.7
161.02409	1.4
163.03931	1.0
172.05298	0.7
173.04546	1.7
179.03450	0.8
203.05560	1.4
229.05981	0.8
268.72205	0.7
287.20132	7.2
301.21683	3.2
331.19131	100.0
332.19513	5.7
345.20703	17.3
346.21021	1.0
373.20184	26.2
374.20590	1.2
403.20590	0.7
535.25391	2.5
579.15198	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40864	0.4
59.01369	0.5
61.75973	0.3
63.96232	1.0
64.57427	0.4
69.37984	2.6
71.01378	6.2
72.65876	0.3
73.02943	2.0
73.57822	0.3
78.95895	0.7
78.98593	5.0
79.95736	7.8
80.07220	0.3
80.96515	59.7
81.03431	0.7
85.02961	2.2
85.03388	0.4
87.00867	2.6
94.98084	15.1
96.96004	2.4
97.02940	1.3
99.00833	0.5
101.02453	2.6
106.98083	2.7
119.82598	0.3
122.97595	3.9
125.02431	2.8
127.03987	1.3
134.97594	3.5
136.72482	0.3
136.99146	1.3
148.99136	5.6
152.98633	6.7
164.98625	11.1
182.99725	2.1
188.98566	0.7
206.99661	2.8
225.00737	16.0
226.01042	0.7
243.01750	1.5
279.23203	2.8
280.23694	0.4
299.04361	2.9
330.07104	0.3
545.58691	0.4
550.08923	0.4
579.28400	100.0
580.28839	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.4
59.01380	23.3
60.01684	1.0
60.99290	0.6
61.01785	0.5
61.98840	4.0
62.62244	0.5
65.92965	0.4
69.03418	0.7
69.21593	1.3
69.22002	3.0
70.09918	0.5
71.01012	0.8
71.01382	11.4
72.99296	1.7
73.02932	2.3
83.01380	2.1
83.05014	0.5
85.02956	4.7
87.00841	2.8
88.98801	0.7
89.02442	1.1
93.03458	1.1
95.01378	1.4
96.95979	0.9
97.02916	0.8
98.20660	1.2
99.00875	1.3
99.04495	0.9
101.02432	5.0
105.01870	0.5
108.02150	0.7
109.02953	0.7
111.00864	0.6
112.01679	0.7
113.02446	3.0
119.03467	0.5
123.04524	1.1
124.01626	0.6
125.02409	1.8
125.09662	0.7
127.11279	1.7
133.02934	1.0
134.03693	1.0
135.04530	2.1
137.02414	0.6
149.02374	0.6
152.01134	0.6
155.10800	0.8
157.12256	1.5
161.02457	2.3
167.03484	1.2
171.10216	2.3
173.04544	3.0
173.05864	0.5
176.01114	1.4
178.02614	0.9
179.03522	1.3
191.03481	1.5
191.05432	0.6
193.05035	1.5
201.11366	0.7
273.20602	1.5
292.08179	0.5
304.23883	0.5
311.05722	0.5
313.23862	3.7
329.23245	3.0
331.18997	1.2
331.24893	20.6
332.25040	0.8
343.25027	0.7
373.20688	0.5
373.26126	0.8
435.25894	3.6
457.27548	0.7
475.29114	13.3
477.27222	1.3
493.30176	26.0
494.30502	1.8
519.31616	0.9
535.31195	100.0
536.31641	6.4
578.32813	0.6
579.32825	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	579.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09768	0.2
59.01376	0.6
59.87544	0.2
61.98828	100.0
70.03415	0.7
71.01402	1.1
73.02946	0.3
78.95899	0.5
78.98592	0.6
79.95303	0.2
79.95708	1.0
80.96027	0.3
80.96517	6.6
80.98181	0.4
81.03477	0.3
81.95328	0.6
81.96473	0.3
82.96102	4.9
82.96947	0.5
85.02943	0.4
87.00894	0.4
94.98075	1.0
96.97659	1.5
96.98278	0.2
97.02973	0.2
100.86703	0.2
101.02465	0.4
108.97643	0.3
122.97552	0.3
124.97141	0.4
125.02460	0.5
126.92218	0.2
127.04038	0.2
134.97562	0.3
136.33582	0.2
136.97142	0.2
148.99068	0.4
150.98723	0.4
152.98566	0.2
152.99626	0.4
154.98213	0.4
164.98639	0.7
166.98195	0.7
184.99217	0.2
189.12071	0.2
225.00853	0.9
226.01050	0.4
227.00256	1.2
244.02393	0.2
253.09152	0.2
277.21744	2.9
278.22076	1.3
279.22253	0.8
280.22516	0.4
285.31042	0.2
326.60559	0.2
365.27213	0.4
431.22046	0.2
496.73267	0.2
502.29333	0.8
503.29544	0.2
504.29971	0.3
505.30136	0.8
579.27014	19.2
580.27368	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49635	0.4
59.01377	18.4
61.98808	1.3
78.95900	26.6
79.23359	0.4
80.81176	0.4
84.81800	0.4
87.03629	0.5
92.33463	0.5
96.96012	0.8
98.20716	1.5
99.92564	1.3
115.92088	3.8
116.92876	2.8
116.93587	0.6
146.60695	0.5
152.99591	4.9
154.12971	0.5
168.04306	2.5
171.00668	0.6
178.88423	2.9
179.89174	2.9
180.89970	2.8
194.05791	0.5
196.89499	3.0
196.90962	0.5
224.06926	7.4
229.56564	0.7
235.91795	0.5
236.92543	2.0
242.07980	2.1
281.24835	100.0
282.25186	4.7
452.85916	0.5
473.13614	0.8
490.14117	0.7
506.32471	71.0
507.32837	7.1
533.16125	0.8
545.15576	0.5
581.18286	10.5
587.82300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.7
61.98820	2.0
69.06223	0.3
71.63823	0.3
78.95900	10.5
79.47767	0.3
81.85634	0.3
99.92574	0.5
109.20370	0.3
109.29467	0.3
115.92041	1.4
116.92857	1.5
137.48260	0.2
152.99559	2.6
168.04298	1.1
171.00626	1.1
172.95407	0.4
178.88350	1.3
179.89200	2.1
180.89923	1.5
196.89503	1.9
224.06966	0.9
229.03699	0.3
229.34776	0.3
235.91754	0.6
236.92583	1.3
242.07982	2.4
269.70175	0.3
281.24838	100.0
282.25211	5.9
340.40970	0.3
490.14114	0.4
506.32471	35.9
507.32831	2.5
563.17010	0.5
563.37756	0.3
581.18158	5.1
606.11853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48890	0.4
57.03425	0.7
59.01377	9.5
59.61224	0.5
60.99308	17.5
61.74337	0.4
61.98584	0.5
61.98835	5.3
67.01885	0.6
69.67480	2.5
71.01376	1.8
72.99297	1.6
73.02975	0.7
80.70631	0.4
83.01391	0.6
85.02959	0.7
87.00877	0.5
88.98804	100.0
89.99142	0.5
93.03457	3.7
96.96011	1.6
101.02485	0.7
109.02969	2.3
111.04481	0.7
113.02422	0.7
119.05009	1.9
121.02920	0.8
133.02954	3.9
134.03717	1.7
135.04524	45.1
136.04880	0.7
137.02460	1.1
141.36839	0.6
143.03523	0.5
145.02934	1.3
149.02463	3.8
150.03172	1.5
161.02441	16.7
161.04498	0.7
162.02945	0.8
163.03998	1.8
173.04547	13.0
173.06059	0.8
177.05504	0.6
179.03490	74.6
180.03830	1.5
189.05385	0.5
191.05573	2.2
193.05014	1.0
201.05508	0.5
203.07159	1.4
204.07901	0.8
206.02251	0.5
228.99362	0.6
229.08615	0.6
230.09508	1.1
232.07379	1.3
233.08160	0.6
243.06596	0.6
247.09732	1.3
257.08212	0.5
259.30978	0.5
267.06601	16.2
268.06927	0.8
283.06137	1.7
311.05606	22.4
312.06033	1.3
317.17657	0.6
317.21381	0.6
333.20615	0.8
341.06610	8.8
389.16122	1.3
407.16968	0.9
419.09952	0.9
461.25531	0.8
479.26410	0.6
491.09903	3.9
521.27356	1.6
546.08252	0.5
563.21277	2.0
581.22443	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	581.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82037	0.5
54.55403	0.5
57.03444	1.3
59.01378	13.4
61.98808	0.9
69.03450	0.8
69.23348	0.6
69.23656	4.8
71.01386	2.7
72.99306	0.7
73.02949	6.9
83.01386	7.2
85.02935	1.1
87.00864	0.8
87.04543	1.3
93.03457	2.2
94.74149	0.5
96.50600	0.5
98.19945	1.1
101.02448	4.2
108.02164	1.2
109.02931	1.1
109.06575	1.2
111.04510	0.6
111.08154	0.5
113.02413	0.8
116.92880	1.0
119.04971	0.5
121.02937	2.3
123.04520	1.2
125.02445	0.9
127.07755	0.7
128.94107	0.5
133.02942	2.4
133.34882	0.5
134.03740	64.7
135.04448	1.2
137.01479	0.7
137.02444	10.6
137.09726	0.6
139.04048	4.0
139.07629	0.9
139.11296	6.4
149.06076	20.0
150.03293	1.1
150.06291	0.6
151.11333	0.8
152.01099	2.1
165.09106	1.2
167.03439	3.2
167.10872	0.9
169.12309	2.3
173.04559	7.4
178.02704	43.1
179.03349	2.2
179.10735	1.9
181.12318	2.9
183.10254	13.2
191.05617	1.6
193.05046	100.0
194.05376	2.1
197.11824	1.6
199.13370	1.5
203.07138	1.2
225.11316	14.5
231.10258	0.6
243.12332	12.5
243.14684	1.0
247.09837	1.0
249.11287	2.1
249.62032	0.6
267.12286	2.4
285.13437	2.8
285.71448	0.7
291.12405	3.0
309.13431	1.4
327.14554	4.6
333.20407	0.9
345.16824	0.8
387.16565	15.1
388.16864	0.6
389.15851	1.7
407.16910	1.4
537.26447	1.8
563.21307	2.4
581.22357	38.0
582.22949	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	581.224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39944	0.4
57.03439	1.3
59.01379	12.0
59.99812	0.4
60.82946	0.4
61.08142	0.4
61.98835	0.5
69.38137	3.1
71.01386	2.6
72.99321	0.5
73.02946	4.7
83.00921	0.6
83.01386	5.7
83.05010	0.5
85.02934	0.7
87.00885	0.8
87.04485	1.0
93.03458	1.5
94.98093	0.4
96.96001	0.6
97.06605	0.5
101.02435	2.4
107.04998	0.5
108.02208	0.4
108.90451	0.4
109.02980	0.6
109.06576	1.0
111.04573	0.6
113.02482	0.9
115.92108	1.6
116.92838	0.6
121.02952	1.5
123.04523	1.9
125.02479	0.7
125.06110	0.4
133.02934	2.5
134.03741	45.8
135.04462	1.8
136.05267	0.5
136.49773	0.4
137.02443	8.8
137.09712	1.0
139.04002	2.2
139.11279	4.4
143.03519	0.4
149.02422	0.5
149.04909	1.0
149.06081	15.7
150.03172	0.7
151.03972	0.8
151.07710	0.5
151.11308	0.9
153.05579	1.8
159.33870	0.4
161.09740	0.7
163.07585	0.5
163.11299	0.5
165.09174	0.5
169.12331	1.5
173.04573	3.8
178.02711	31.3
179.03279	1.7
179.10796	1.2
181.12367	1.4
183.10249	10.6
184.10600	0.5
191.05550	0.7
193.05046	100.0
194.05379	2.2
195.06636	6.5
197.11836	2.0
223.09836	0.5
225.11302	11.6
229.08612	0.4
231.10326	0.5
243.12350	11.9
244.12581	0.5
249.11272	1.7
258.78400	0.4
263.13000	0.6
267.12329	2.4
281.13834	0.4
285.13419	1.8
291.12299	3.2
309.13440	1.2
327.14453	4.5
331.11850	0.4
345.16599	0.5
387.16562	12.6
387.21335	0.8
389.15979	0.5
407.17096	0.6
432.57306	0.4
563.21527	0.8
581.22351	17.8
582.22589	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	581.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81813	0.4
59.01378	5.7
61.89893	0.4
61.98826	0.9
69.72096	1.8
71.01375	3.8
73.02954	3.2
83.01375	0.9
85.02957	0.7
93.03439	0.7
96.96014	0.7
97.02950	0.6
98.20609	0.6
101.02434	1.3
107.68177	0.5
109.67176	0.4
113.02383	0.6
125.02422	1.0
135.04468	1.2
138.91983	0.5
155.03491	0.7
161.02417	1.0
173.04556	2.6
187.03935	0.5
203.05626	1.2
209.11757	0.7
229.08693	0.6
317.21191	1.6
333.20694	100.0
334.20987	5.8
347.22253	18.3
348.22672	1.0
375.21756	34.2
376.22192	2.6
405.22748	1.0
477.24942	0.8
537.27155	1.8
545.30267	0.6
581.28528	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41838	1.2
58.00614	1.7
59.01377	33.2
61.98818	6.4
69.49101	8.5
71.01384	16.4
72.99306	1.2
73.02937	13.8
83.01380	5.2
85.02954	6.1
87.00834	1.9
88.99384	1.3
93.03432	6.5
97.02946	2.1
101.02444	14.2
113.02420	4.0
116.92812	2.5
119.05006	1.5
125.02448	1.7
135.04538	3.2
137.02457	1.6
155.03462	2.3
161.02383	2.9
169.95839	1.5
173.04535	21.1
173.06012	1.5
179.03462	2.0
187.83980	1.2
191.05574	3.4
209.11855	2.7
230.09398	1.9
233.08090	2.4
247.09711	2.7
251.09094	1.5
271.20569	6.1
289.21689	3.6
315.19550	3.3
317.21255	1.6
331.22620	1.8
333.20688	100.0
334.21008	6.3
345.20523	4.2
347.22217	16.3
375.21729	18.5
376.21884	1.4
419.20667	2.2
435.24277	1.7
459.24289	2.0
477.24844	42.4
478.25217	3.0
495.25992	19.4
496.26010	1.5
521.27344	1.5
537.26990	40.8
538.27283	3.8
547.41949	1.3
581.21442	1.7
581.30048	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	581.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
63.96227	1.3
64.39494	0.4
71.01377	6.9
73.02947	1.2
75.23312	0.4
78.95918	0.5
78.98589	5.2
79.95734	8.1
80.96514	58.2
83.01439	0.4
85.02949	1.5
87.00866	2.1
94.98081	14.0
96.95995	2.0
97.02928	1.1
97.06592	0.5
99.00877	0.6
101.02470	2.4
102.65685	0.5
106.98092	3.0
113.02442	0.8
122.97595	4.1
125.02465	2.8
127.03974	0.6
134.97597	3.9
136.99132	1.5
146.09834	0.4
148.99132	4.9
152.06001	0.4
152.98619	6.5
164.98604	10.3
182.99680	1.8
188.98451	0.5
196.40036	0.4
206.99620	2.2
225.00722	15.3
243.01834	1.8
281.24884	2.8
283.26389	1.1
299.04263	2.7
361.60849	0.5
465.79526	0.4
508.33743	0.9
581.29944	100.0
582.30341	9.4
583.72595	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
63.17173	0.4
63.96226	1.0
69.03455	0.5
71.01383	5.9
73.02949	1.3
78.98585	4.8
79.95731	7.3
80.96516	54.2
81.03461	0.5
83.01414	0.4
85.02936	2.2
87.00871	2.3
94.98083	12.4
96.96034	0.8
97.02960	1.2
98.20596	0.9
101.02430	2.2
106.98090	2.5
107.99296	0.4
111.17027	0.3
122.97585	2.2
125.02447	2.7
127.04012	0.7
134.97585	3.9
136.99159	0.9
148.99136	5.1
151.67148	0.3
152.98637	5.3
164.98627	10.0
206.06902	0.5
206.99669	2.3
218.41043	0.4
225.00737	14.0
281.24844	2.7
299.04404	3.3
409.89301	0.4
452.38382	0.3
581.29980	100.0
582.30280	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	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.4
59.10144	0.2
61.98829	100.0
62.98539	0.2
69.23586	1.3
69.23992	0.3
71.01389	0.6
78.95908	1.9
78.98596	0.3
79.95748	0.4
80.96517	2.5
80.98206	0.2
81.95313	0.3
82.96104	2.3
82.96910	0.2
83.61974	0.2
83.96592	0.2
84.06909	0.1
85.02987	0.2
94.98101	0.5
96.97681	0.5
115.92097	0.5
116.92841	0.3
148.99115	0.2
152.98503	0.2
152.99608	0.6
154.98212	0.2
164.98611	0.5
166.98123	0.3
178.62706	0.2
178.88472	0.3
179.89221	0.5
180.90036	0.3
196.89465	0.5
210.24115	0.2
224.06616	0.2
225.00694	0.5
226.00911	0.2
227.00269	0.6
233.80553	0.2
236.92365	0.3
279.23273	2.0
280.23718	0.9
281.23904	0.7
282.23938	0.3
292.98770	0.2
326.74197	0.2
393.15503	0.2
433.23587	0.3
504.30939	1.6
505.31207	0.3
506.31448	0.4
507.32147	1.0
581.18048	0.9
581.28497	9.1
582.28650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.2
61.98827	100.0
71.01366	0.1
78.95913	0.4
78.98576	0.1
79.95724	0.1
80.96502	0.7
81.95329	0.1
82.96086	0.6
82.96927	0.2
87.81541	0.1
94.98098	0.2
96.97664	0.1
122.97633	0.1
125.02453	0.1
142.94127	0.1
152.99661	0.6
166.98172	0.1
168.04306	0.1
178.93217	0.1
183.85750	0.1
225.00864	0.1
227.00420	0.1
229.83177	0.2
278.84503	0.1
279.23285	2.2
280.23621	1.2
281.23999	0.7
282.24414	0.4
405.13425	0.1
504.30887	0.8
505.31421	0.2
506.31808	0.2
507.31799	0.7
581.28314	2.1
582.28595	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	582.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85382	2.2
58.02968	8.2
61.98816	8.2
64.95259	4.0
69.74713	5.5
69.75114	7.9
70.02975	3.8
71.05009	5.8
74.00690	8.9
74.02478	16.9
82.02990	14.0
85.04076	3.5
86.02448	8.3
87.05649	5.7
88.21166	2.3
93.35880	2.2
96.95982	5.2
97.04081	14.8
98.20571	3.7
99.05630	12.6
100.00406	17.8
102.00192	7.2
105.99688	10.9
109.04049	2.9
110.38973	2.5
113.03554	3.1
113.07223	3.4
127.05187	2.2
128.01768	7.4
128.03532	83.6
130.03236	2.6
135.05566	5.5
141.03070	4.4
141.06683	2.8
143.04608	50.3
145.06206	3.1
146.04590	6.1
146.08237	29.6
151.05136	5.3
153.06696	7.7
160.00716	7.7
166.09785	2.8
167.04532	2.9
169.06152	15.0
172.64180	2.7
175.01834	16.2
179.04597	20.6
197.05659	5.0
203.04947	7.1
210.08870	8.5
214.29350	2.2
217.11908	6.8
254.07768	21.3
272.08871	74.9
275.10654	8.7
277.12262	10.5
286.05148	5.6
304.06079	85.3
305.06314	2.4
306.07748	2.9
309.09430	10.7
452.12845	3.2
453.15009	3.5
470.35251	2.7
482.94153	2.9
552.41687	2.6
564.17743	11.6
582.19073	100.0
583.19653	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	583.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96409	0.9
69.91125	0.6
71.01370	2.3
71.07547	0.6
78.95898	86.6
80.96515	8.5
81.95302	0.8
82.96088	3.8
82.96899	0.6
87.00882	0.7
94.98092	2.7
96.96958	3.9
96.97578	1.2
98.20679	1.8
99.92571	9.5
100.92661	0.8
100.93374	2.2
101.02437	0.7
101.92416	0.7
109.97724	0.6
115.92073	36.7
116.92099	2.1
116.92852	22.5
117.91940	1.0
117.92809	1.5
120.96996	0.6
125.02461	0.6
134.97533	0.8
138.98013	0.8
142.94426	0.9
148.99126	1.2
150.98006	4.4
152.99580	29.9
162.88950	1.1
163.89740	1.1
164.90468	1.6
164.98610	1.0
171.00662	4.5
172.95459	4.9
178.88414	14.6
178.91991	0.7
179.89215	26.1
180.90036	17.0
181.90825	1.4
194.87906	2.6
196.89476	34.0
197.89491	1.7
198.89525	1.2
205.90816	3.1
206.91568	1.8
208.89510	1.7
218.91537	1.6
219.92319	1.0
225.00760	1.5
226.01143	0.7
227.00510	1.0
229.62508	0.8
234.91002	1.4
235.91811	6.5
236.92595	19.2
237.92827	1.5
238.92546	0.8
252.92079	3.0
255.23277	7.8
270.93039	1.6
278.93680	1.7
309.95453	1.1
355.15790	0.9
362.20718	0.6
409.23776	1.1
411.18698	0.8
435.12369	1.2
475.15582	7.7
476.15784	1.2
492.15775	6.0
517.16980	0.9
535.17480	5.4
547.17456	5.4
582.30566	4.5
583.19861	100.0
583.30219	18.5
584.19891	10.2
597.53589	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84327	0.9
57.03438	1.8
59.01378	100.0
61.98816	3.8
71.01379	6.4
71.52289	1.1
72.99286	2.0
73.02946	9.2
81.03461	1.7
83.01384	7.5
85.02934	2.5
87.00891	1.3
87.04505	2.7
88.00329	0.9
89.02443	2.1
95.05003	1.2
96.95971	0.9
97.02932	1.3
101.02439	6.1
106.05008	0.9
108.02175	3.6
109.02940	1.1
109.06587	1.2
113.02464	2.1
119.05032	3.7
121.02943	2.4
123.04517	8.4
124.01672	2.0
125.02441	1.6
128.03545	1.2
132.98203	1.0
134.03775	1.9
135.04526	15.3
136.05313	7.1
136.58971	1.0
139.11311	9.1
143.03503	1.1
149.02408	1.1
149.82509	0.9
151.03989	4.1
151.07655	5.2
151.11385	1.3
153.01950	1.3
153.05579	1.6
161.02412	1.6
165.09155	1.1
169.12328	3.9
173.04529	3.1
177.05588	0.8
179.10764	3.2
180.33807	0.9
181.05043	3.5
181.12292	4.1
183.10263	11.1
185.84181	0.9
195.06613	84.0
196.06972	2.2
197.04222	0.9
197.11813	2.0
199.13454	1.8
225.11304	12.6
243.12364	9.3
249.11264	1.1
267.12277	1.8
285.13419	1.8
291.12265	2.1
304.18936	1.0
305.21194	1.2
325.87915	1.0
327.14447	2.6
331.10703	1.0
332.29095	0.9
364.97183	1.2
387.16629	5.7
449.25653	1.8
467.26270	1.3
479.26340	1.3
509.27414	4.4
523.21857	2.0
523.29291	5.3
539.28143	1.3
565.22705	3.5
583.23932	98.5
584.24280	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	583.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98816	3.7
64.94429	0.9
69.43271	6.2
71.01376	14.3
72.99304	2.3
73.02941	4.7
81.03451	1.0
83.01395	2.8
85.02957	5.7
88.98803	1.2
89.02443	5.6
96.96003	2.8
99.00836	1.5
101.02444	9.9
109.02943	2.9
113.02461	6.4
119.03493	2.2
123.04510	1.4
126.90426	2.1
133.02962	1.2
134.06094	1.0
135.04539	4.4
143.03494	1.0
151.72290	0.9
152.01134	1.4
153.01898	1.9
159.02940	0.9
159.04491	1.7
161.02409	2.1
161.04575	2.3
173.04471	2.8
179.03474	2.8
191.05656	1.1
195.12561	0.9
197.04565	1.3
224.87735	0.9
227.12700	0.9
333.20627	1.0
335.22305	5.7
339.05051	1.3
339.13110	1.1
340.13910	1.5
382.06226	1.0
389.15961	1.2
408.87411	1.0
450.31711	1.1
479.26437	25.0
480.26718	2.2
497.27563	21.5
498.28043	2.5
539.28772	11.1
540.28833	1.3
565.21399	1.2
583.22034	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	583.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42091	0.9
54.32151	1.0
57.03431	1.2
59.01377	38.5
60.52851	1.0
61.98831	4.7
65.94489	0.7
69.25713	5.1
69.26123	2.1
71.01384	6.7
72.99298	2.9
73.02602	0.9
73.02946	8.2
78.95881	0.9
81.03436	1.7
83.01373	3.2
85.02944	1.5
88.98805	0.9
89.02417	1.4
93.03437	1.9
96.95997	0.8
101.02434	6.6
113.02435	1.6
116.92831	1.0
123.04528	3.9
133.02905	1.3
135.04492	3.1
137.02438	2.0
151.03934	0.9
161.02402	2.8
161.04601	1.5
167.03433	1.1
173.04517	3.0
179.03433	2.3
187.07552	1.0
197.63332	0.8
213.17700	0.8
235.17084	0.9
267.06516	1.1
319.19083	1.8
327.15845	1.2
330.94083	0.8
335.22247	100.0
336.22540	4.7
349.23859	4.2
377.23239	1.8
389.16064	5.5
409.12845	1.1
463.22919	1.7
523.25354	1.0
539.28540	1.4
550.34448	0.9
578.85480	1.0
583.30457	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70978	1.2
58.38456	1.3
59.01378	100.0
61.98812	2.9
66.54264	1.1
69.22748	11.3
71.01383	16.7
72.99317	3.0
73.02951	5.3
81.55959	1.0
83.01408	2.4
85.02950	4.5
87.00873	2.7
88.98766	1.4
89.02443	5.3
95.01410	1.4
96.96000	2.8
98.19857	2.0
101.02441	11.7
109.02948	3.0
112.94083	1.2
113.02463	5.2
119.05037	1.3
123.04528	4.3
126.90423	3.2
134.06113	2.9
135.04536	7.2
135.06407	1.7
143.03513	1.4
152.01097	1.4
152.57208	1.2
153.01965	2.9
153.05556	1.7
161.02475	1.6
161.04585	2.9
167.16100	1.1
173.04622	2.8
173.11731	1.2
179.03462	4.7
191.05525	1.7
192.06512	1.1
197.04538	1.5
229.01480	1.5
335.22253	5.6
339.05118	1.8
339.13474	1.5
340.13754	3.1
368.13293	1.5
378.06857	1.3
400.15790	1.7
479.26508	26.9
480.26923	2.3
497.27554	22.7
539.28699	10.9
540.28931	1.4
551.18707	3.7
583.21631	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	583.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92738	0.5
52.93532	0.5
57.03459	0.7
59.01377	100.0
61.98829	1.9
64.01217	0.6
69.23278	3.8
69.23689	1.0
71.01379	5.9
71.60779	0.5
72.99313	1.8
73.02952	2.3
79.01551	0.5
83.01385	1.4
85.02947	2.6
87.00877	0.9
88.98802	1.6
89.02464	1.3
93.03445	1.0
96.96009	1.1
99.00870	0.7
101.02445	3.1
108.02155	3.1
109.02942	1.6
113.02437	2.0
116.92849	0.7
123.04525	8.3
125.02431	0.6
133.02956	0.9
135.04538	2.9
149.02406	0.8
150.36697	0.5
151.04022	1.0
152.01093	2.7
153.01962	1.1
153.05574	8.3
159.20114	0.5
161.02443	1.1
161.04523	1.1
163.03957	0.6
171.36354	0.5
173.04558	1.9
179.03500	1.3
183.10263	0.7
185.47229	0.6
193.05003	0.6
197.04559	1.0
233.01015	0.5
243.12454	0.7
305.21127	3.5
327.15906	0.5
335.22366	1.0
389.16092	1.3
421.15271	0.7
479.26724	4.6
497.27963	1.6
511.87753	0.6
523.22192	0.8
523.28998	1.3
539.28479	2.5
541.23792	1.1
583.24048	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	583.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.4
57.03452	0.6
59.01378	100.0
60.01696	0.4
61.98827	6.5
71.01379	9.0
72.99328	1.5
73.02949	3.6
78.95918	0.6
81.03462	1.0
83.01405	1.3
85.02946	3.1
87.00884	1.1
88.98822	1.3
89.02448	3.2
93.03444	0.8
95.01402	0.8
96.96029	1.5
97.02956	0.4
99.00890	1.1
99.04531	0.5
101.01804	0.3
101.02438	8.2
109.02955	0.5
111.00917	0.3
113.02450	4.4
119.03518	1.4
119.04983	0.3
119.17316	0.3
121.02965	0.6
123.04518	1.9
125.02468	0.6
133.02977	0.6
135.04543	1.4
136.33250	0.3
137.02467	0.8
143.03519	0.7
149.02489	0.4
151.04016	0.5
152.99660	0.6
159.03065	0.6
161.02469	1.6
161.04514	2.4
161.57004	0.3
167.03448	0.5
173.04575	1.8
179.03526	0.9
179.05676	0.5
187.07718	0.5
209.11908	0.4
217.06584	4.1
229.08804	0.5
293.10461	0.4
317.21255	0.5
319.22736	1.8
320.64642	0.4
323.67358	0.3
327.15991	0.3
331.22781	1.9
335.22202	1.6
361.20334	1.3
361.24066	0.8
389.16211	1.4
415.25229	0.5
463.27002	18.0
464.27481	1.4
479.26740	1.1
481.28015	14.7
482.28525	0.9
497.27664	0.5
523.29095	11.8
524.29694	1.0
539.29022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70634	0.4
56.28411	0.4
57.03441	0.4
59.01379	100.0
60.01716	0.8
61.98834	4.1
65.32191	0.4
70.64147	0.9
70.64513	0.9
71.01389	1.8
72.99313	1.7
73.02970	1.3
76.29931	0.4
78.95965	0.4
81.03479	0.8
83.01398	0.7
85.02962	1.2
88.98820	1.8
89.02432	0.7
93.03468	0.7
93.89630	0.4
95.01416	0.4
96.96010	1.5
98.19969	0.5
99.04559	0.5
101.02469	1.2
102.05640	0.6
108.02210	1.0
109.02991	1.8
113.02482	1.2
116.92870	1.1
119.05019	0.7
121.02979	0.9
123.04514	3.1
133.02969	0.8
134.03767	0.6
135.04553	3.2
137.02434	1.0
139.03983	2.4
150.06834	0.6
151.04051	1.0
152.01181	1.2
153.05545	2.8
161.02473	2.3
161.04504	0.6
173.04500	2.4
174.04860	0.6
179.03528	1.6
181.04965	0.6
191.05609	0.7
197.04573	0.7
211.02460	0.5
225.96550	0.4
250.61737	0.4
317.17429	0.7
335.22327	0.6
371.15240	0.5
389.16089	1.7
467.26590	0.5
479.26785	1.0
497.27701	0.6
509.27295	1.0
521.18378	0.5
523.29034	2.4
539.28412	0.9
547.21783	0.7
583.23859	4.7
583.31787	1.3
584.24048	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.2
59.05455	0.1
61.98827	100.0
62.96407	0.1
70.53516	0.5
75.30091	0.1
78.95901	11.6
80.96311	0.4
95.99865	0.1
96.96964	0.6
99.92575	1.0
100.92625	0.2
100.93353	0.2
114.15826	0.1
115.92075	3.0
116.92075	0.6
116.92867	2.3
117.91910	0.5
117.92877	0.6
118.92684	0.3
142.07652	0.1
150.98003	0.6
152.99586	3.6
155.00040	0.1
164.90523	0.2
171.00540	0.6
172.95445	0.5
178.88387	1.1
179.89285	2.4
180.90121	1.7
181.88823	0.2
181.90182	0.2
182.89905	0.3
183.55510	0.1
194.87825	0.3
196.89473	3.3
197.89436	0.8
198.89342	0.7
205.90794	0.2
218.91513	0.2
235.91780	0.7
236.92613	1.5
237.92429	0.3
238.92551	0.5
252.92014	0.2
253.92490	0.2
254.92734	0.2
255.23315	0.6
281.24850	1.7
282.25137	0.9
283.25449	0.8
284.25754	0.5
311.96384	0.1
312.96085	0.2
471.70648	0.1
475.15097	0.6
492.15530	0.6
506.32361	1.1
507.32837	0.3
508.33063	0.4
509.33383	1.0
525.68469	0.1
535.17218	0.6
547.16925	0.5
565.17249	0.3
583.19318	10.0
583.34088	0.3
584.19641	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
61.98826	100.0
70.83132	0.3
72.38042	0.1
78.95901	3.3
78.96329	0.2
80.96320	0.2
83.91148	0.1
85.53707	0.1
96.96960	0.2
99.92564	0.2
115.48344	0.1
115.92085	0.6
116.92091	0.3
116.92872	0.4
117.91892	0.3
152.99577	1.0
171.00674	0.3
172.95468	0.2
178.88492	0.3
179.89183	0.4
180.90022	0.3
185.30991	0.1
196.89525	0.6
197.89514	0.2
198.89392	0.3
205.90756	0.2
236.92567	0.3
238.93100	0.2
258.59796	0.1
281.24832	2.2
281.27621	0.2
282.25162	1.1
283.25485	0.8
284.25745	0.5
378.86316	0.1
492.14798	0.2
506.32510	1.0
507.33215	0.3
508.33017	0.3
509.33600	0.6
547.16766	0.2
583.18823	2.5
583.33716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	62.6
61.98813	1.6
67.01866	1.2
71.01380	4.0
71.05017	2.4
71.50717	1.8
71.78856	0.8
73.02948	2.6
78.95890	1.5
79.95718	1.0
85.02959	1.8
86.39466	0.8
89.02447	1.7
93.03445	5.3
94.98085	1.6
96.96012	89.6
99.04508	9.1
99.08154	3.1
101.02454	2.0
103.00376	7.4
111.04494	1.0
111.23906	1.0
112.42778	0.9
113.02459	1.1
114.93397	0.9
115.04009	6.6
116.92844	1.0
117.05595	4.6
119.05038	5.3
127.16457	0.8
135.04494	1.2
137.02370	0.9
143.07129	3.1
152.92445	0.9
153.09291	1.1
161.08192	100.0
162.08469	1.8
163.03958	2.9
165.01947	1.4
173.04549	28.6
191.05571	3.2
197.04553	1.4
203.09262	22.4
239.12833	1.4
243.12329	1.1
247.08257	1.1
261.13306	1.2
277.31396	0.9
310.03555	1.0
337.09283	9.2
353.48062	1.0
443.19177	3.1
480.12415	0.9
585.23822	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	585.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35307	0.5
57.03448	3.5
59.01379	13.1
60.88420	0.5
61.98822	0.6
70.35860	1.7
70.41228	0.4
71.01382	3.9
72.99306	56.7
73.02947	4.5
81.03439	0.6
83.01395	3.3
85.02923	0.8
87.00887	0.7
87.04492	0.8
88.43266	0.5
88.98794	2.1
89.02431	1.3
91.05529	0.7
93.03432	1.1
95.04987	0.5
96.96006	1.7
98.11532	0.5
99.04534	2.4
101.02447	4.0
107.05009	1.0
108.02149	1.4
109.02943	19.4
109.06563	0.7
113.02435	1.5
117.03445	0.5
119.03536	0.5
121.02934	0.9
122.03703	0.5
123.04518	23.3
125.02415	0.9
134.03702	1.8
135.04517	37.6
136.04826	0.7
137.02426	0.5
139.11287	4.7
149.02423	0.9
151.03970	2.3
152.01137	2.0
153.01930	18.2
153.05577	7.0
161.04494	1.8
163.11328	0.6
164.04851	0.7
165.09102	0.7
167.10718	0.9
169.12349	1.6
179.03490	31.7
179.10738	1.6
180.03798	1.0
181.05089	0.7
181.12283	1.5
183.10246	6.3
197.04535	37.5
197.11812	0.8
198.04860	1.5
199.13399	0.7
209.11938	0.7
221.06665	0.4
225.11305	4.5
225.14937	0.8
227.13028	2.2
227.14861	0.5
239.05540	0.8
243.12347	4.0
243.79913	0.5
249.11292	1.0
267.12344	1.2
269.13901	0.6
271.08524	0.5
285.13339	0.8
287.14926	1.7
291.12323	1.3
297.09631	1.0
315.07202	1.0
315.10657	1.1
322.31454	0.6
323.09842	1.0
327.14343	1.0
357.07974	0.9
357.11911	0.9
372.87039	0.4
386.11981	0.5
387.00671	0.6
387.16702	3.9
388.16998	0.4
431.19052	1.3
508.20273	0.6
525.19513	3.1
541.23090	2.6
541.30243	0.5
567.20685	3.0
568.21149	0.7
585.21790	100.0
586.22021	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	585.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01374	18.6
61.98828	3.2
69.03469	0.6
70.74982	0.7
71.01382	3.8
72.99285	1.0
73.02959	2.5
81.03456	0.7
83.01375	1.4
85.02936	3.0
88.98799	1.3
89.02441	1.0
93.03471	0.7
95.01382	2.2
96.96007	0.8
99.00912	0.5
99.04504	1.4
101.02436	3.0
108.02167	49.9
109.02951	37.7
110.03296	0.7
113.02409	1.7
114.85660	0.3
116.87608	0.4
119.03418	0.4
119.04970	0.4
121.02953	1.3
123.00889	3.6
123.04494	1.4
125.02421	1.0
134.53307	0.4
135.04498	1.7
137.02393	0.5
138.03265	0.8
139.11263	0.5
151.03998	1.2
152.01147	57.1
153.01941	23.3
153.05496	0.9
161.04543	1.3
163.03970	1.1
165.01906	1.1
166.99850	3.0
179.03551	0.5
179.05542	0.4
181.05067	0.4
182.02205	6.7
183.10223	1.4
195.02924	0.5
197.04539	12.1
207.13910	0.9
209.11847	1.5
225.11240	1.3
225.14929	0.6
227.12857	3.3
243.12404	1.8
251.12740	0.6
253.07079	0.5
269.13885	0.7
287.14835	0.4
297.06146	1.5
315.07196	6.4
323.09406	0.5
327.14581	0.5
350.79181	0.4
357.08261	5.2
387.16586	2.0
387.23587	0.4
441.17542	0.5
507.18628	0.7
523.21686	1.3
525.19824	1.9
541.22632	3.0
567.20770	3.8
585.21802	100.0
586.22198	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	585.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.7
58.75822	0.4
59.01378	11.9
61.98827	1.1
65.06963	0.3
69.39423	2.2
71.01379	2.2
72.99330	0.6
73.02948	3.1
81.03480	0.5
83.01384	3.9
85.02936	0.5
87.00912	0.6
87.75694	0.3
88.98808	2.1
89.02435	0.5
91.01906	0.5
93.03476	0.4
96.96014	1.3
99.04521	0.4
101.02437	2.3
103.47955	0.3
106.06632	0.3
108.02158	2.4
109.02948	80.8
110.03272	1.5
113.02454	1.3
123.04528	0.9
125.02406	0.4
135.04520	7.2
136.04843	0.5
137.02470	0.5
143.03555	0.4
152.00993	0.4
153.01930	100.0
154.02287	1.8
165.12805	0.4
167.10782	1.2
179.03529	0.4
183.10297	0.3
191.05649	0.4
207.13882	0.7
209.11812	0.6
214.27075	0.3
225.14890	0.9
227.12881	5.6
251.12822	0.8
269.13925	2.3
287.14981	7.9
288.15378	0.4
311.14944	0.8
315.07071	0.5
329.15897	0.9
357.08401	0.5
371.17026	0.9
387.16476	0.4
387.23895	0.6
413.18231	0.5
431.19180	10.3
432.19278	0.7
523.21771	3.6
524.22278	0.4
585.21741	18.5
586.22058	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	585.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88619	0.3
57.03450	0.4
59.01378	12.1
60.99299	0.4
61.98829	0.8
65.37021	0.3
69.74481	0.6
69.74883	1.2
71.01383	1.9
72.99312	0.4
73.02937	3.4
75.00907	0.3
81.03474	0.8
83.01379	4.4
85.02948	0.7
85.26066	0.2
87.00877	0.6
88.98802	2.2
89.02444	0.6
91.01865	0.3
93.03468	0.6
96.96011	0.6
97.06575	0.3
99.04513	0.3
101.02451	2.8
108.02174	3.0
109.02947	81.7
110.03299	1.1
113.02449	0.9
121.02953	0.3
123.04474	0.8
124.18798	0.3
125.02435	0.5
134.03764	0.5
135.04521	13.4
136.04842	0.4
137.02415	0.8
139.11298	0.5
152.01074	0.3
153.01929	100.0
154.02283	2.0
155.03477	0.3
161.02467	0.5
167.10756	1.2
169.12360	0.4
173.04611	0.4
177.01912	0.3
183.10304	0.7
195.02959	0.3
207.13866	0.4
209.11798	1.0
225.11310	1.1
225.14957	1.1
227.12860	6.1
228.13135	0.3
233.11827	0.3
243.12312	0.6
251.12898	0.4
269.13995	2.3
287.14966	6.3
297.06110	0.4
309.53745	0.3
311.15125	0.5
315.07135	0.4
329.16098	0.9
353.15811	0.4
357.08231	0.9
359.16989	0.3
371.17123	0.8
378.70090	0.3
387.16464	0.6
387.23782	0.4
413.18027	0.4
431.19168	10.3
432.19885	0.7
497.20370	0.5
523.21851	6.1
524.22498	0.6
585.21820	20.4
586.22119	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	585.255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.3
59.01377	24.9
61.98827	0.5
69.35970	0.2
69.36298	2.4
71.01384	2.6
72.99343	0.3
73.02942	4.9
79.35075	0.3
83.01382	4.0
85.02946	0.4
93.03468	0.5
95.01359	0.6
95.05054	0.6
96.96005	0.3
97.02976	0.3
97.06569	0.3
98.19878	0.6
99.04522	0.8
101.02428	3.3
105.27930	0.3
109.06562	0.4
113.02431	1.0
119.03551	0.3
121.02962	2.1
121.06596	0.3
122.03746	1.0
123.04519	81.9
124.04857	1.6
124.85894	0.3
125.02468	0.8
127.40704	0.3
137.02539	0.3
149.02399	0.4
151.04022	0.9
152.04799	1.2
153.05566	100.0
154.05905	3.0
161.04492	0.5
163.07744	0.4
165.05472	0.4
165.12801	0.4
167.10764	1.3
179.05516	0.3
195.06650	1.6
207.13899	0.9
209.11768	2.1
223.13579	0.4
225.14951	2.0
227.12886	10.8
228.13196	0.3
233.11853	1.0
251.12909	1.1
269.13882	2.9
287.14969	4.3
293.13995	0.4
297.09860	2.0
311.15009	0.4
315.10803	3.8
329.16174	0.5
357.11911	4.7
363.58414	0.3
371.17291	0.4
402.26382	0.3
413.18033	0.5
431.19247	4.0
465.46347	0.3
567.24481	3.9
568.24487	0.5
585.25476	68.8
586.25726	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	585.328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71622	0.3
56.19044	0.4
57.03447	0.5
59.01380	100.0
61.98826	1.5
70.70529	1.1
71.01379	3.9
71.01662	0.3
72.99320	1.3
73.02960	1.8
73.28543	0.4
79.95751	1.0
83.01395	0.9
85.02934	2.0
87.00945	0.5
89.02512	0.5
95.01392	0.5
96.95995	1.9
99.00894	0.4
101.02444	3.3
109.06649	0.4
113.02468	1.3
119.00801	0.4
121.02944	0.4
125.02484	0.6
135.04538	1.0
149.02420	0.4
159.03027	0.4
161.02481	1.2
161.04549	2.1
167.88145	0.4
173.04620	0.4
179.03508	0.7
209.11832	0.5
267.06674	0.4
276.28711	0.4
289.98285	0.4
304.29013	0.4
321.61304	0.4
337.24182	0.5
389.16339	0.7
429.75018	0.4
451.97311	0.4
465.28561	3.7
483.29602	7.5
484.30472	0.8
525.30725	10.6
526.31287	0.8
536.29718	0.8
541.30817	0.7
585.26556	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62272	0.2
55.12899	0.1
59.01377	100.0
60.01704	0.6
61.98827	0.2
66.68444	0.1
67.81669	0.2
69.67059	0.3
69.67464	0.6
71.01389	0.5
73.02938	0.2
78.96799	0.1
85.02953	0.2
88.98849	0.2
96.96024	0.2
101.02444	0.3
113.02456	0.2
124.08620	0.2
133.02924	0.2
135.04565	0.2
150.06920	0.2
161.02458	0.4
161.04538	0.2
163.07632	0.1
171.10435	0.2
177.01901	0.8
194.50587	0.1
207.96112	0.1
258.69836	0.2
348.23227	0.3
349.23880	0.4
375.47095	0.2
377.95334	0.2
481.28241	0.2
483.29810	0.3
525.30847	0.3
585.19464	0.2
585.33093	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
58.27350	0.3
59.01377	100.0
60.01716	0.6
61.98837	0.4
63.62962	0.2
71.01382	5.2
71.51527	0.4
73.02935	1.5
83.01395	1.0
85.02950	2.3
87.00877	0.5
89.02425	2.2
95.01353	0.5
96.96033	0.6
99.00884	0.6
101.02435	3.9
106.09268	0.3
113.02464	2.4
119.03568	0.4
119.11114	0.3
125.02493	0.6
135.04509	0.3
143.03561	0.5
152.93159	0.3
159.02988	0.3
161.02425	0.5
161.04532	1.9
179.05502	0.3
181.77330	0.2
277.80276	0.3
321.24445	0.7
333.24326	0.5
363.25760	0.5
465.28546	8.8
466.29285	1.0
483.29602	11.7
484.30350	0.5
525.30652	11.2
526.31439	0.8
585.33105	0.5
586.62787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.4
59.01377	100.0
60.01719	0.5
61.98823	1.9
69.40426	2.7
71.01379	5.8
72.99316	1.7
73.02950	2.8
75.00864	0.4
78.95907	0.8
83.01356	0.8
85.02950	1.8
87.00894	0.6
88.98849	0.4
89.02465	2.5
95.01388	0.6
96.96020	0.7
98.19891	0.5
99.00931	0.7
99.04514	0.4
101.02444	3.9
113.02444	2.2
116.92893	1.0
119.03527	1.1
123.04549	0.5
125.02415	0.4
133.02950	0.6
135.04543	1.3
136.04755	0.4
143.03526	0.8
149.02362	0.5
160.38324	0.4
161.02451	1.7
161.04555	1.9
173.04575	0.6
179.03520	0.7
197.11694	0.5
213.04086	0.4
251.07265	0.4
270.22803	0.4
298.75079	0.4
321.24316	0.5
333.24454	0.6
363.25449	0.5
465.28525	9.5
483.29614	11.9
484.30231	1.1
525.30634	13.8
526.31128	1.0
541.30042	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01961	0.7
55.01883	1.0
57.22819	0.8
59.01379	100.0
60.01715	0.7
61.69582	1.0
61.98830	1.6
63.46258	0.8
69.24870	6.8
71.01377	8.0
72.99315	1.6
73.02950	3.1
76.83060	0.7
83.01375	1.0
85.02939	3.7
89.02464	3.1
89.96320	0.7
93.03479	0.9
94.98066	0.9
96.96013	1.1
98.68871	0.7
99.00884	1.2
101.02432	6.0
111.00861	1.0
113.01823	0.7
113.02451	4.1
114.00482	0.8
119.03516	1.2
135.04539	1.5
161.02475	2.1
161.04652	1.4
179.03426	1.0
300.59064	0.7
483.29541	22.1
484.30371	1.2
501.30594	8.3
502.31293	0.9
543.31689	11.5
543.39136	0.8
544.32422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07255	0.4
51.87504	0.5
52.70557	0.5
57.03448	0.6
59.01381	100.0
60.01723	0.9
61.98835	2.2
70.37056	1.1
70.37444	0.8
70.74883	0.5
71.01385	8.9
72.99301	0.8
73.02952	3.2
83.01402	1.5
85.02950	5.0
88.98835	1.0
89.02449	0.6
95.01402	1.2
96.96046	1.7
99.00874	1.3
101.02441	5.1
108.02224	0.7
113.02435	3.3
123.04564	0.7
133.03035	1.0
134.03819	0.5
134.87100	0.5
135.04553	2.8
137.02484	0.5
151.04068	0.6
159.03069	0.6
161.02504	1.7
161.04556	3.2
172.20808	0.5
173.04561	1.1
177.01961	0.6
178.02792	0.6
179.03500	2.2
187.07706	1.3
267.06784	0.6
293.50635	0.5
311.05878	2.1
333.20651	0.5
408.52026	0.5
483.29456	0.7
501.30756	7.3
501.37479	0.7
502.31073	0.7
543.31628	6.4
587.17169	0.6
587.28693	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46387	0.8
59.01378	100.0
61.98835	4.5
65.83381	0.7
69.17895	0.8
69.24554	2.5
69.24972	4.5
71.01385	6.8
73.02941	1.7
75.68001	0.7
78.95890	2.5
81.42422	0.8
83.01393	1.2
85.02934	2.9
89.02444	1.0
96.96018	1.2
99.00853	0.9
101.02428	4.3
107.05010	1.4
109.02917	1.5
113.02439	3.0
116.92903	0.9
128.03491	1.0
133.02930	5.7
134.03699	2.5
135.04523	70.2
136.04816	2.3
152.99568	1.3
161.02431	17.1
161.04472	1.8
171.10208	1.6
173.04608	1.6
173.06044	3.5
177.01898	1.2
179.03491	95.0
180.03792	2.0
187.07654	2.0
198.12099	0.8
201.05576	4.2
202.06332	3.4
203.07149	0.8
205.30907	0.8
209.11844	1.9
213.09222	1.1
227.06952	1.4
231.10291	0.9
245.08145	4.0
257.08075	2.3
267.06601	0.9
275.09195	1.7
281.04532	1.0
284.28088	0.9
297.07584	1.4
304.98007	0.9
310.04700	1.2
311.05597	1.0
311.22214	1.8
312.22546	3.8
323.22128	1.2
341.06580	2.6
363.12372	4.9
407.11426	5.1
467.29559	0.8
483.29565	17.5
501.30624	5.6
536.29773	4.2
537.30310	7.4
543.31842	11.4
544.32019	1.3
587.31854	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	587.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20361	1.0
57.03444	2.9
59.01380	100.0
61.98828	4.9
71.01382	12.1
71.40256	1.0
71.52218	1.2
72.99308	3.3
73.02949	5.4
74.69824	1.1
82.40770	1.1
83.01422	1.4
85.02946	5.2
87.00883	1.2
88.98798	2.3
89.02442	5.1
93.03455	1.6
96.96001	4.0
99.00879	1.4
99.04501	1.7
101.02426	10.4
109.02973	1.5
113.02441	6.9
119.03496	1.9
119.05042	1.5
121.02941	1.2
125.02419	2.1
133.02948	1.7
134.03781	1.4
135.04550	7.4
137.02457	2.0
161.02446	5.6
161.04576	3.8
173.04572	3.6
177.01865	1.1
179.03462	3.3
181.05078	1.8
271.17444	1.1
311.05521	1.2
400.11594	1.2
483.29776	8.6
501.23840	1.6
501.30801	17.8
502.31152	1.8
543.31805	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	587.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23985	2.1
57.03450	2.4
59.01379	100.0
61.98827	23.1
69.17704	2.2
69.29415	6.3
69.29832	13.8
71.01373	15.2
72.99294	4.6
73.02946	6.3
78.95901	5.9
79.95755	5.0
80.96525	13.6
85.02950	6.4
93.03445	3.0
94.98091	3.3
96.96025	4.8
98.20626	3.8
101.02448	9.7
105.03458	2.8
109.02942	4.1
113.02428	6.9
133.02945	8.9
134.03737	5.3
135.04524	70.2
136.04855	3.2
146.84431	2.1
149.02448	2.7
151.04076	2.4
161.02440	25.1
171.10220	11.6
173.04614	4.5
173.06061	4.2
178.02733	2.9
179.03494	88.6
181.12186	2.2
187.07655	8.2
197.11803	3.5
201.11369	5.3
202.06337	4.4
207.10263	5.6
209.11835	9.7
213.09229	4.1
215.07060	3.2
225.00674	4.0
225.11353	7.7
229.08847	3.7
231.10355	5.9
244.42770	2.7
257.08194	10.4
264.87000	2.4
267.06741	3.6
311.05563	3.9
363.12354	7.4
407.11227	5.8
465.24802	3.5
483.29767	24.4
501.30603	8.4
536.29169	3.8
537.30035	7.7
543.31830	33.1
587.21130	22.0
587.28217	3.3
614.98547	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	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	0.3
70.53336	0.5
70.53682	0.2
72.99300	1.8
75.00871	100.0
76.01200	0.6
78.95910	0.8
91.18257	0.2
144.21040	0.3
152.99593	1.0
155.53708	0.3
155.55054	0.2
277.21710	0.7
278.22107	0.4
279.23248	0.7
312.64508	0.3
329.59521	0.3
339.25092	0.3
365.85107	0.3
372.19363	0.3
425.61331	0.3
475.27097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52795	0.3
57.03437	0.9
59.01379	20.9
60.75497	0.4
61.98831	3.6
68.01404	0.3
69.03449	0.5
70.37983	0.9
71.01379	4.2
71.49747	0.4
73.02918	0.8
78.95901	0.6
83.01392	0.4
85.02953	1.2
87.00868	0.4
89.02434	3.9
96.96023	0.6
97.02897	0.4
100.09358	0.4
101.02445	4.0
102.35555	0.4
109.06565	0.5
113.02459	2.1
113.09743	2.4
119.03503	1.1
135.04572	0.4
143.03445	0.8
152.99539	0.5
161.02457	0.8
161.04561	1.8
167.10788	0.5
171.10243	0.8
179.03488	0.5
179.05580	0.4
183.13907	7.7
195.13867	3.6
211.13374	2.2
223.13382	2.4
235.08269	0.6
235.17081	2.1
249.22183	0.6
253.09282	25.3
254.09615	0.8
256.13278	0.5
265.21677	0.7
275.20126	7.3
276.20749	0.4
293.21219	100.0
294.21521	6.2
359.14713	0.5
390.02094	0.4
529.30371	1.1
578.40515	0.3
586.92792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.7
59.06104	1.4
61.98829	9.0
65.04182	1.1
70.02441	5.7
71.01377	4.8
89.02431	4.6
97.25727	1.5
101.02454	3.2
101.71757	1.3
113.02428	1.7
114.74573	1.2
119.03526	1.4
130.65894	1.3
133.02962	1.5
144.68845	1.5
161.02385	2.0
161.04555	2.9
171.10184	2.3
171.19142	1.3
183.13902	11.8
186.77567	1.6
195.13931	3.6
209.11806	1.9
211.13370	3.2
218.55302	1.5
223.13309	3.7
253.09299	23.7
254.09663	1.3
275.20282	6.9
293.21219	100.0
294.21512	7.5
324.77054	1.3
415.73944	1.5
606.65973	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	30.1
61.98833	56.9
65.71495	2.0
69.67013	2.0
69.82663	12.4
71.01380	10.7
71.04987	2.9
72.99293	3.5
78.61657	2.1
78.95889	4.1
79.20827	2.2
80.96507	4.3
83.01329	2.3
85.02940	2.5
88.98820	2.8
89.02430	8.5
96.96026	2.6
101.02447	10.7
102.00506	2.3
113.02446	5.4
116.92886	2.3
117.14063	1.9
117.17513	2.2
119.03410	2.5
131.50871	2.1
133.02957	3.2
135.04544	2.5
152.99651	2.3
161.02400	6.9
161.04567	3.1
171.10228	4.7
179.03481	3.1
209.11827	5.0
211.75897	2.3
231.21150	2.8
235.17024	47.5
236.17445	4.4
253.09274	55.1
275.20142	86.8
276.20465	4.2
291.19769	3.5
293.21240	100.0
294.21527	5.6
411.41714	2.5
545.33276	5.3
615.34119	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	590.3458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56128	0.4
61.98827	0.5
78.95902	10.8
86.63276	0.4
96.96017	0.7
96.96953	1.2
101.28426	0.4
105.37169	0.4
123.26287	0.4
140.01167	1.6
152.99593	8.2
173.48895	0.5
196.03738	2.2
214.04817	1.5
220.33214	0.4
266.07758	0.5
277.21838	0.9
279.23270	100.0
280.23627	6.1
284.09052	0.7
310.10623	1.0
328.11356	0.6
431.21884	0.7
476.27792	20.2
477.28021	1.3
546.31921	4.9
555.18390	0.5
590.34583	23.6
591.35327	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73367	1.0
53.04818	1.2
57.03445	6.4
58.00586	1.3
59.01377	77.2
61.98814	1.3
66.69055	1.2
69.03462	1.2
71.01011	2.1
71.01379	30.7
71.05010	1.9
72.99291	2.1
73.02934	3.7
73.79431	0.9
83.01392	3.3
83.05019	2.4
85.02971	5.8
87.00880	12.5
88.36428	1.1
89.02442	27.6
95.01381	1.8
96.96008	4.3
97.06581	1.6
99.04478	1.8
99.92577	1.9
101.02433	17.5
107.05032	5.8
109.06555	1.2
113.02457	12.3
115.92052	1.7
116.92833	4.5
119.03506	8.1
119.05025	1.4
120.05805	1.5
123.04465	1.6
125.02467	1.2
126.90412	2.1
126.98820	1.0
131.03568	1.6
135.04512	10.1
143.03482	1.4
152.04803	1.2
153.96170	1.1
161.02406	4.3
161.04529	3.3
161.09708	11.8
161.13319	6.8
163.11270	4.2
167.03513	1.0
179.03493	3.0
179.05583	5.8
185.13333	1.6
187.11258	16.6
189.09178	8.1
189.13655	1.0
203.10733	5.2
203.14369	1.5
205.12341	13.3
207.10220	4.7
209.11826	2.3
223.13380	37.6
229.12296	3.6
231.10359	1.6
247.13368	1.4
249.11336	8.6
267.12350	28.0
268.12747	1.7
285.16891	2.2
291.12280	2.1
309.13458	3.4
335.16507	1.1
339.14490	9.1
341.10825	13.1
369.15518	35.8
369.22607	1.6
370.15741	1.7
411.16623	1.5
429.17609	82.2
430.17953	4.3
547.27820	2.5
591.22882	100.0
592.23285	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	591.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.8
58.00603	1.0
59.01379	61.0
59.19815	0.8
68.39983	0.7
71.01382	18.0
71.05028	1.1
73.02966	2.6
74.75332	0.6
75.49452	0.8
83.01401	2.4
83.05074	2.0
85.02970	4.1
87.00886	10.3
87.01379	0.8
89.02440	20.6
95.01402	1.2
95.05022	0.9
96.96038	2.3
97.06593	1.6
99.00890	1.0
99.04526	1.7
101.02444	12.1
107.05027	5.0
113.02457	8.6
119.03502	6.6
120.05777	1.7
121.02990	3.1
121.06599	1.1
125.02470	1.3
135.04497	3.9
143.03484	1.0
152.04752	0.9
152.15120	0.8
159.08173	0.8
159.11868	1.3
161.04576	2.4
161.09729	12.7
161.13342	6.2
163.11307	2.2
175.11246	1.0
179.05656	3.1
185.09741	0.9
185.13371	1.4
187.11263	19.5
187.12872	1.2
189.09180	7.7
203.10774	3.3
203.14499	0.7
205.12314	7.4
207.10271	2.6
223.13380	35.1
224.13695	1.4
229.12221	3.7
229.54398	1.1
231.10138	1.0
235.91443	0.7
241.59193	0.8
249.11295	8.4
267.12338	19.3
285.17221	2.4
291.12393	2.7
309.13400	2.0
339.14499	10.2
341.10818	7.2
369.15488	37.4
370.16092	1.7
411.16653	1.3
429.17618	100.0
430.18005	6.7
450.88007	0.9
591.22882	75.1
592.23108	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	591.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68016	0.8
51.12098	0.8
57.03436	3.5
59.01377	67.3
61.98845	1.1
62.33428	0.7
69.89803	3.8
71.01378	22.5
72.99319	0.8
73.02962	1.8
78.30486	0.6
79.05543	0.8
83.01375	2.2
83.05033	2.1
85.02971	4.8
87.00865	8.9
89.02442	21.2
95.01403	1.3
96.96011	3.8
97.02908	0.9
97.06586	2.0
98.20614	1.1
101.02436	12.1
103.82188	0.7
107.05022	5.7
109.02947	2.1
109.06649	1.0
113.02442	7.3
119.03503	4.6
120.05785	2.8
129.73775	0.8
131.03514	1.2
135.04517	4.5
143.03470	2.0
145.10114	0.7
147.08134	1.1
153.01920	2.5
159.11780	2.2
161.04507	1.8
161.09737	11.4
161.13316	5.0
163.11266	2.8
179.05574	4.0
179.10750	0.9
185.09674	0.8
185.13287	2.7
187.11273	19.2
189.09196	9.5
203.10770	3.5
203.14366	1.2
205.12299	7.5
206.91400	0.8
207.10188	4.0
223.13370	36.7
224.13739	1.3
229.12204	4.2
231.10326	1.5
249.11324	7.4
267.12360	19.4
291.12408	2.3
291.17575	0.8
300.96185	0.8
309.13306	4.2
339.14404	8.2
341.10852	9.4
342.11246	0.9
369.15503	31.7
370.15668	1.5
398.33917	1.0
411.16617	1.9
429.17615	86.9
430.17819	4.3
493.54559	0.8
591.22882	100.0
592.23248	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	591.2607
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
63.06205	0.3
69.95287	0.7
69.95679	0.8
89.42126	0.4
91.70686	0.3
92.61971	0.4
98.97166	0.4
106.06615	0.7
123.14981	0.4
126.91589	0.3
182.40222	0.3
277.44662	0.3
396.17181	0.5
443.22879	2.1
444.19379	0.6
445.20090	1.5
445.25192	0.6
447.25278	0.4
455.22568	0.7
456.23709	0.7
457.20639	0.6
458.21219	0.6
459.21680	2.4
471.21027	1.2
471.25787	2.2
472.22607	1.4
473.23624	1.0
482.21036	1.7
484.18823	0.7
485.19510	2.0
486.20462	0.6
487.25644	3.3
497.23373	4.3
499.21490	3.8
500.14716	0.6
500.22104	12.5
501.22433	1.2
503.21109	0.5
504.21878	0.5
513.22797	1.1
514.23779	1.3
515.24481	100.0
516.24762	11.4
519.23962	0.7
547.27008	0.5
559.23444	5.1
560.23657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
57.03435	2.8
59.01377	88.8
59.91542	0.8
61.98827	100.0
69.61135	2.1
69.61541	4.4
69.62682	1.0
71.01382	14.5
72.99312	2.6
73.02950	6.1
73.14930	0.8
78.36781	0.8
83.01392	7.5
85.02949	10.4
87.00877	2.0
89.02452	1.1
95.01402	2.8
96.96000	2.1
97.02945	1.4
99.00885	2.6
101.02447	13.3
109.02991	0.9
111.00884	1.9
113.02467	7.5
116.92863	1.2
119.05083	1.2
121.10208	1.6
133.02937	1.1
135.04535	1.8
143.03484	1.8
159.02846	1.2
161.02448	2.5
161.04509	4.5
169.12367	1.0
171.10219	1.3
171.13889	1.5
179.03448	1.1
185.15480	2.8
209.11888	1.1
232.61603	1.0
325.27393	1.6
329.19598	1.5
333.19321	1.9
343.28464	3.4
347.20712	2.8
487.32742	75.2
488.33115	6.5
505.33884	28.7
506.33884	1.6
547.34869	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	592.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24817	0.2
59.01395	0.2
61.98829	100.0
70.70452	0.5
70.70809	0.3
71.01385	0.7
78.98599	0.7
79.95737	2.9
80.96517	6.1
92.90080	0.2
94.98070	1.6
101.02468	0.2
118.15709	0.2
121.02980	0.3
122.97600	0.4
125.02505	0.3
143.79584	0.2
146.01244	0.2
148.99156	0.6
152.98618	0.3
164.98650	1.0
165.01929	0.3
206.99783	0.5
225.00737	1.8
299.04300	0.3
407.30804	0.3
455.15948	0.4
495.18790	0.4
586.57904	0.3
592.25067	2.0
593.26306	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41108	0.1
59.01366	0.8
61.98828	100.0
69.21402	0.3
69.21811	1.3
69.91963	0.1
78.95914	0.5
79.95718	0.4
80.96513	1.7
94.98105	0.4
104.57347	0.1
113.09734	0.5
122.97618	0.2
140.76042	0.2
152.98601	0.3
164.98637	0.4
225.00787	0.4
293.21219	3.4
293.24420	0.2
294.21548	0.5
307.22839	0.5
365.35803	0.2
395.27945	0.3
518.28699	1.7
532.30145	0.4
592.25159	1.5
592.33337	0.2
593.26208	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	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
61.98829	100.0
69.45779	1.4
69.46183	0.8
78.95901	1.2
79.55148	0.3
79.95744	0.4
80.96518	1.3
85.61098	0.3
121.02930	0.7
137.60893	0.4
147.35968	0.4
162.19095	0.3
164.98590	0.4
224.06853	0.4
225.00610	0.4
293.21277	2.8
518.29016	1.1
593.26471	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	592.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17221	0.2
59.01377	0.5
61.98828	100.0
63.96217	0.2
69.92231	0.9
71.01381	1.2
73.02972	0.3
78.95914	0.5
78.98586	0.8
79.95736	1.7
80.96513	10.2
85.02979	0.3
87.00910	0.4
94.98075	2.3
101.02452	0.4
106.98103	0.4
108.34628	0.2
121.02968	0.5
122.97583	0.3
125.02477	0.5
127.04037	0.2
134.97623	0.6
148.99150	0.7
150.11526	0.2
152.98642	0.7
161.02412	0.3
164.98637	1.5
206.99716	0.4
209.04504	0.2
225.00726	2.6
229.09325	0.2
253.09320	0.2
254.09613	0.3
293.21295	0.8
294.21500	0.4
295.22821	0.4
296.23163	1.0
299.04517	0.4
372.26865	0.2
518.29150	0.3
593.26331	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43382	0.2
55.58683	0.2
57.27948	0.2
59.01378	3.2
61.98829	100.0
67.01862	0.2
71.01405	0.6
71.06956	0.3
71.07291	0.2
72.99341	0.3
75.26830	0.2
85.02927	0.4
96.96023	0.4
101.01808	0.2
101.02470	0.4
108.45959	0.2
121.68726	0.2
126.76842	0.2
135.04532	0.4
161.02486	0.6
163.04039	0.2
168.59056	0.2
173.04568	0.5
179.03719	0.2
181.05020	0.2
209.11771	0.2
259.39832	0.2
288.76724	0.2
296.73236	0.2
328.05817	0.2
461.73300	0.3
473.68225	0.2
488.33011	2.2
506.34399	0.6
553.25922	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.6
59.01378	29.5
61.60749	0.7
61.98826	8.6
63.96221	1.0
70.01775	2.3
70.02182	1.5
71.01382	4.4
73.02934	1.2
73.82626	0.7
78.95905	38.0
78.98582	3.1
79.95741	6.5
80.96513	32.5
81.03419	0.9
82.06192	0.8
85.02937	1.3
87.00887	1.3
94.98097	7.5
96.46155	0.8
101.02415	1.5
106.98055	1.4
109.06574	1.2
113.09725	22.1
121.02942	15.8
122.97583	2.9
122.98521	1.8
125.02399	1.6
134.97562	3.2
139.11284	1.8
148.99126	2.5
149.09727	1.1
152.98546	3.1
152.99605	5.3
164.98593	5.0
167.10704	3.0
168.04279	4.7
177.12849	2.6
179.10744	2.6
182.99614	1.3
183.13879	3.4
195.13876	3.0
200.89191	0.8
206.99640	1.9
209.04514	10.6
224.06895	12.9
225.00723	8.5
242.07979	3.6
243.01700	1.4
249.22186	3.4
275.20160	2.7
293.21216	93.6
294.21442	5.9
299.04358	2.3
307.22736	14.1
308.23138	0.8
309.20688	0.9
342.60156	1.0
395.27899	3.4
447.21542	1.4
473.22867	1.7
518.28845	100.0
519.29236	8.0
532.30426	20.9
592.24951	6.2
592.33154	1.4
593.26294	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.2
58.13610	0.4
59.01377	22.3
60.90561	0.4
61.98826	36.2
63.96221	0.4
69.45688	0.8
69.46099	1.9
71.01379	2.3
73.02943	0.6
78.95902	12.4
78.98575	1.1
79.95730	2.8
80.96516	13.7
83.05025	0.5
85.02965	0.6
85.06557	0.4
87.00879	0.7
94.98094	3.8
96.96956	0.4
97.06593	1.1
98.20684	0.7
109.06606	0.6
113.09724	17.2
114.10110	0.7
121.02945	0.6
122.97589	1.0
122.98508	0.5
125.02508	0.5
127.11320	0.7
134.97557	1.2
139.11304	1.3
148.99133	1.4
149.09688	0.6
149.35039	0.4
152.98598	1.0
152.99652	3.1
164.98615	3.0
167.10774	1.8
168.04314	2.4
177.12842	2.1
179.10750	2.4
179.14383	0.5
183.13905	1.3
195.13898	2.7
206.99672	0.8
224.06883	2.1
225.00691	3.4
235.17088	1.1
242.08022	4.9
249.22119	2.2
275.20096	3.7
293.21210	100.0
294.21509	6.0
299.04495	0.4
307.22763	14.5
308.23120	1.2
447.21426	0.9
518.28833	62.0
519.29321	5.4
532.30371	10.4
533.31049	0.7
574.80603	0.5
592.25244	3.2
593.26300	23.7
615.52222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21577	0.5
59.01377	25.1
61.98823	3.7
69.32971	0.5
69.58047	3.3
71.01368	1.7
78.95904	12.6
78.98590	1.0
79.95736	2.1
80.96516	11.2
85.02943	0.8
87.48454	0.5
94.98066	2.5
95.51015	0.8
98.19907	0.7
101.02441	1.0
101.40444	0.5
111.08118	0.8
122.97554	0.7
134.97557	0.6
148.99088	1.4
152.98630	0.9
152.99577	4.9
156.76683	0.5
162.75554	0.6
164.98582	1.5
167.10835	0.8
168.04314	2.7
179.14374	1.3
182.99608	0.8
183.09991	0.5
195.12115	0.6
195.13884	10.6
196.14560	1.5
205.12331	0.9
207.68011	0.5
211.13368	2.7
223.13385	9.1
223.33112	0.6
224.06876	1.6
224.13803	0.6
225.00739	3.0
228.13521	0.9
238.90691	0.5
242.07977	5.2
256.13120	1.8
265.21646	0.6
275.20154	6.8
293.21204	88.1
294.21518	4.7
307.22754	0.7
334.06689	0.6
343.52328	0.6
400.20016	0.5
447.21509	2.7
518.28845	100.0
519.29138	7.7
532.30548	0.9
592.31525	0.7
593.26318	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	592.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.7
61.62848	1.1
61.98830	34.0
69.71284	4.6
71.01373	3.5
71.05020	1.1
72.99313	1.2
78.95899	15.5
79.95745	2.4
80.96510	19.0
94.98071	5.3
96.96015	1.8
98.20573	1.3
106.98073	1.3
122.97608	2.8
134.97519	1.7
135.04463	1.5
148.99121	1.8
152.99651	2.6
161.02400	2.5
163.11397	1.2
164.98615	4.1
168.04305	3.8
173.04523	1.8
224.06912	2.1
225.00786	6.0
231.21187	2.8
235.17023	35.7
242.08043	5.7
275.20129	47.8
276.20496	2.5
280.67853	1.1
293.21191	52.4
294.21542	2.1
295.50430	1.2
301.03415	1.1
344.17035	1.2
345.16776	1.4
447.21036	1.4
451.32977	1.6
518.28857	100.0
519.29370	8.4
543.65906	1.1
568.48004	1.3
592.33832	1.5
593.26312	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	593.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32376	0.4
58.34653	0.4
59.01381	3.2
61.98822	1.3
63.02397	1.2
64.02678	0.4
65.00310	1.1
71.22276	0.4
71.52448	0.5
72.99326	0.9
73.02931	0.5
73.75840	0.4
83.01376	1.5
85.02994	0.6
87.00874	0.5
88.04115	0.5
89.02464	0.7
93.03452	2.2
95.01443	0.5
96.96008	0.8
99.04490	0.6
99.80719	0.4
101.02463	0.4
107.01385	2.8
108.78822	0.4
109.02974	0.8
117.03493	3.8
119.05023	4.9
121.02966	2.3
123.04514	0.8
125.02437	0.7
132.02170	0.9
133.02969	0.7
135.00874	1.3
135.04485	1.4
139.04030	3.2
143.05052	1.0
145.02953	13.4
151.00356	4.9
153.01778	0.5
153.05487	0.5
159.04500	1.2
161.02449	0.8
163.00409	2.6
163.04002	3.3
164.01170	0.7
165.01883	0.5
169.06546	0.7
170.46864	0.5
171.04498	0.9
173.04549	1.4
179.03467	1.3
181.05096	0.5
183.04489	1.4
185.06079	1.9
187.04002	2.5
189.05534	1.2
195.04552	0.6
196.05309	0.5
197.06154	1.4
199.03993	1.3
200.04840	0.5
201.05531	1.0
211.03978	3.0
212.04655	0.9
213.05542	2.2
214.02705	0.7
227.03488	35.6
228.03889	1.8
229.05049	9.0
239.03474	2.0
240.04236	0.9
241.05058	2.3
255.02979	65.5
256.03635	8.7
257.04547	6.7
267.02930	1.0
284.03253	73.1
285.04019	85.3
286.04459	3.3
287.62259	0.4
307.08145	3.9
308.08994	0.5
327.05075	0.6
371.14923	1.1
421.32483	0.5
447.09402	3.0
483.36038	0.5
491.67239	0.5
593.13013	100.0
594.13306	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	593.151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98841	0.6
72.99288	0.7
86.34740	0.6
98.20640	2.4
107.01361	1.3
109.03023	0.7
110.32504	0.6
119.04269	0.6
119.05035	2.1
123.35648	0.7
130.05766	0.6
132.02193	0.9
133.02971	1.1
133.96562	0.6
135.00943	0.6
135.04486	2.4
141.01675	1.1
142.50267	0.7
151.00369	2.0
159.04448	1.0
161.02432	3.4
163.00385	0.9
163.03993	5.0
175.49591	0.5
178.99873	1.7
179.03621	0.7
182.31384	0.6
195.04605	0.7
197.04584	0.7
205.74773	0.6
211.03969	0.9
227.03479	38.8
228.03973	1.8
229.05000	1.2
239.03629	0.9
255.02968	69.8
256.03580	6.8
257.04468	1.0
283.02554	1.1
284.03250	100.0
285.03897	14.8
286.04358	0.7
359.07660	0.8
415.26721	0.7
429.08188	2.5
431.13348	1.2
593.15076	89.2
594.15503	7.7
621.56427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50160	0.4
53.81159	0.5
55.51174	0.4
56.11840	0.5
57.03447	1.0
59.01372	2.1
61.98820	0.8
63.02371	0.6
70.53461	0.4
71.52376	0.6
93.03445	1.6
96.95998	1.9
98.56152	0.5
104.90577	0.5
107.01360	2.3
109.02921	0.8
125.02351	0.7
132.02252	0.7
135.00873	1.3
143.05019	1.1
143.55141	0.6
151.00385	2.4
159.04494	0.7
161.02411	0.7
163.00343	2.3
165.01898	0.7
167.05058	0.6
169.06583	0.7
185.06041	1.9
187.03976	2.4
189.05569	1.5
195.04488	0.8
197.05994	0.6
199.04019	1.1
201.05588	0.8
211.03972	2.5
213.05618	1.3
226.02611	0.5
227.03488	32.0
228.03825	1.7
229.05048	10.3
239.03500	2.1
240.04184	0.7
241.05052	2.0
255.02974	53.5
256.03568	5.2
257.04507	6.2
267.02859	1.1
284.03247	65.7
285.04010	87.1
286.04312	3.6
327.05103	0.9
431.18033	0.9
463.10965	0.5
487.43036	0.6
593.15076	100.0
594.15417	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.5
57.03442	3.4
59.01378	73.5
61.98813	3.8
65.07410	1.0
69.03447	1.7
69.27270	0.9
69.40730	6.8
71.01381	32.9
72.99289	3.3
73.02940	15.4
83.01383	11.5
85.02944	9.5
87.00877	16.8
88.01690	0.9
89.02446	27.5
91.44763	0.8
95.01394	2.4
96.96016	2.3
97.02918	1.2
98.95497	0.8
99.04507	4.7
101.01800	1.7
101.02439	24.7
109.06586	1.6
113.02450	21.8
119.03487	6.9
123.04518	1.0
125.02419	1.9
131.03488	1.9
143.03493	3.7
149.04538	1.5
161.04546	6.2
165.12866	10.8
179.05606	6.4
189.12753	4.7
207.13905	15.5
209.11784	14.5
225.14954	4.8
231.13843	4.4
233.11833	2.1
251.12859	17.7
267.30020	1.2
269.13910	76.0
270.14304	3.6
275.12851	1.5
293.14026	1.0
311.14957	4.3
323.09912	3.7
341.10846	18.1
341.15991	5.6
342.11435	1.2
371.17087	18.4
377.34171	1.0
383.11996	7.4
413.18198	3.5
431.19153	74.1
432.19565	5.0
575.23224	5.7
593.24457	100.0
594.24670	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	593.2633
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.23433	0.5
59.01358	0.5
61.98823	1.7
63.96234	0.8
69.94733	1.9
71.01389	3.9
73.02935	1.5
78.98583	4.2
79.95734	27.3
80.72928	0.4
80.96516	46.6
81.03431	0.5
83.72276	0.4
85.02941	1.7
87.00872	2.1
94.98084	11.0
96.87721	0.4
96.96004	0.7
97.02956	1.4
98.19971	0.5
101.02419	2.0
106.98071	2.4
122.97571	3.7
125.02463	2.1
127.04031	0.4
134.97569	3.8
136.99149	1.6
148.99146	4.6
152.98637	4.9
164.98622	7.7
179.00186	0.6
182.99670	1.9
198.47575	0.5
206.99715	3.2
209.01830	0.4
225.00732	15.3
241.00140	1.0
243.01791	2.2
293.21097	0.8
299.04446	3.1
315.03952	0.7
316.46417	0.4
317.76447	0.4
350.93945	0.4
371.06537	1.9
385.08121	0.8
399.09589	1.4
413.11203	1.3
441.14215	0.6
455.16061	2.6
481.17581	0.6
495.19031	1.5
523.18250	0.8
593.26337	100.0
594.26697	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
51.99302	0.6
59.01369	1.7
61.98829	38.1
69.37515	3.2
69.37936	1.4
71.01379	6.8
72.99287	0.6
73.02940	1.7
78.95882	1.9
78.98587	4.9
79.95732	7.9
80.96515	59.5
85.02952	1.6
87.00874	2.9
90.15231	0.6
93.59558	0.7
94.98077	14.0
96.95988	1.2
97.02936	1.2
98.67447	0.6
99.00884	1.0
101.02464	1.8
106.98097	3.0
113.02441	0.8
116.59026	0.7
120.91885	0.7
121.02953	5.9
122.97584	2.9
125.02415	2.7
127.04073	0.7
134.97583	3.7
135.39717	0.8
136.99142	1.3
148.99135	5.1
152.98596	6.0
152.99632	0.9
164.98613	10.2
188.98589	0.6
206.99669	2.2
209.04523	3.5
210.03331	0.6
225.00740	13.8
293.21185	1.0
295.22787	1.3
296.22983	0.8
299.04449	2.5
340.19107	0.8
514.53253	0.7
593.26331	100.0
594.26685	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	593.2638
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01374	1.0
61.98828	53.6
63.96237	0.5
69.03449	0.4
69.15620	2.0
69.16050	1.3
71.01377	5.2
71.03562	0.4
73.02949	1.4
77.08244	0.4
78.95868	0.3
78.98585	4.0
79.48498	0.3
79.95736	32.2
80.96513	50.5
81.03450	0.8
85.02935	2.2
87.00863	1.9
88.66916	0.3
92.91724	0.3
94.98083	11.4
96.60071	0.3
96.96011	1.1
97.02964	1.2
101.02445	2.3
106.98082	2.8
119.19602	0.3
122.97589	2.9
125.02473	2.5
127.04019	0.6
129.83334	0.3
134.97574	3.9
136.99130	1.3
148.98001	0.5
148.99132	4.5
152.98619	4.1
161.04567	1.1
164.98622	9.5
195.13892	1.0
206.99667	2.9
225.00725	15.1
226.00984	0.4
241.00269	2.1
277.21600	0.8
293.21283	1.0
295.22672	3.2
299.04462	3.3
315.03879	0.9
341.05536	0.7
371.06470	2.8
385.07977	1.5
399.09622	2.1
413.11166	1.4
427.12781	0.4
441.14078	0.5
455.15866	2.4
481.18024	0.7
493.75790	0.4
495.18768	2.4
520.30310	3.0
523.18475	1.3
524.19543	0.8
593.26318	100.0
594.26666	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	593.2633
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
57.03449	0.4
59.01365	1.0
60.70183	0.3
61.98830	8.3
63.96230	1.1
69.03453	0.6
70.75363	0.7
71.01377	6.5
73.02947	1.2
73.91363	0.3
78.98586	5.0
79.95729	8.7
80.96514	61.6
81.03455	1.0
85.02953	2.6
87.00856	2.2
89.69054	0.3
91.85288	0.2
94.98080	15.2
95.01367	0.4
96.96002	1.0
97.02944	1.2
99.00868	0.6
99.04547	0.4
101.02430	2.4
106.98086	3.0
113.02427	0.8
120.02126	0.3
121.02953	43.7
122.03300	1.4
122.97581	5.3
125.02450	2.4
127.03996	0.9
134.97585	3.8
136.99142	1.0
143.79124	0.3
148.99133	6.8
152.98634	6.9
164.98622	9.9
165.01854	1.9
167.00146	0.3
181.06580	0.8
182.99640	2.2
183.13861	0.6
188.98651	0.3
197.06042	0.7
206.99678	3.0
207.04585	0.3
209.04533	26.1
210.04892	1.2
225.00723	17.4
225.05391	0.7
226.00993	0.4
243.01808	1.8
293.21292	0.6
295.22720	0.7
299.04364	2.4
300.04681	0.3
313.07062	0.6
383.07751	0.6
417.09766	0.6
505.10983	0.9
549.10339	2.7
550.10663	0.5
593.13055	4.5
593.26324	100.0
594.12793	0.7
594.26709	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	593.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60526	0.7
59.09793	0.6
63.32803	0.7
70.48981	0.7
71.29491	0.8
78.95899	38.5
86.84504	0.7
96.96958	7.5
152.99577	67.7
165.78407	0.7
171.00568	2.3
197.65404	0.8
223.00116	8.2
241.01155	18.4
259.02197	1.2
274.95157	0.7
277.21707	33.9
278.22031	0.9
315.04858	13.6
333.05936	1.1
481.57239	0.7
593.27271	100.0
594.27545	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	593.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03661	0.4
70.26356	0.9
70.26677	0.6
72.49957	0.5
75.00848	0.6
78.95899	56.2
96.96376	0.8
96.96958	11.6
98.19913	0.6
150.97963	1.1
152.99577	47.4
171.00604	0.7
173.24915	0.4
195.48962	0.5
217.88533	0.5
223.00047	1.8
241.01172	24.6
242.01460	0.8
277.21701	40.5
278.21957	2.6
291.72333	0.4
315.04868	7.7
364.79498	0.5
413.20963	5.4
431.22006	0.6
582.54657	0.5
593.27271	100.0
594.27673	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	593.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	25.8
58.00603	0.7
58.99577	0.8
59.01384	17.9
61.98834	4.8
71.01386	8.3
71.52466	0.8
72.99313	3.6
73.02943	3.2
82.97604	0.7
83.01382	2.3
84.19628	0.7
85.02948	4.4
87.00864	2.0
88.98826	0.8
89.02426	1.3
93.03436	1.3
95.01434	0.9
96.96014	1.3
99.00900	1.2
99.04513	3.9
101.02445	11.0
111.50661	0.7
113.02460	2.7
119.03471	1.5
121.02925	0.7
124.07645	0.9
125.02454	3.9
130.01231	0.8
135.04518	2.1
137.02544	0.8
150.22282	0.8
161.02435	2.7
173.04567	2.5
179.03453	1.1
181.05083	1.0
241.21632	1.1
269.21320	1.8
271.02573	0.8
287.13937	1.8
287.22269	20.7
300.02725	1.2
323.10507	0.9
329.23209	1.4
331.18927	1.1
373.20679	1.0
431.26413	11.3
432.26529	0.9
449.27536	100.0
450.28021	5.9
453.81018	0.8
477.30624	1.0
491.28589	47.9
492.29095	3.4
531.31879	11.3
549.32843	5.6
593.13910	1.4
593.22614	1.6
593.31805	20.4
594.32214	2.7
613.19293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47692	0.5
59.01368	2.5
61.98799	1.1
62.58904	0.6
78.95895	1.1
83.42739	0.6
87.00919	0.7
91.10043	0.6
98.20680	1.2
121.02937	1.0
152.99568	0.8
167.24533	0.6
183.49597	0.6
209.04613	0.9
214.30876	0.7
230.15506	0.7
239.20139	100.0
240.20546	4.4
263.15097	0.8
277.21667	1.3
388.50446	0.6
472.09567	0.7
516.43890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	32.7
59.01110	2.1
59.01382	33.4
61.98830	100.0
65.75279	1.4
71.01376	4.9
71.52113	2.4
73.02941	2.8
78.95895	2.0
85.02962	3.5
89.02450	3.3
96.96004	9.1
96.96973	3.7
99.04514	45.7
100.04837	1.4
101.02454	12.7
105.03394	1.8
113.02438	3.0
119.03504	2.6
123.04492	2.0
123.08192	2.9
125.02434	17.4
133.02971	6.9
135.04495	4.2
139.60361	1.4
143.03435	2.9
152.09938	1.3
161.04527	1.8
163.11232	1.6
177.01895	4.4
179.03474	3.0
181.29752	1.3
189.12808	4.5
207.13864	7.0
276.76428	1.3
387.20248	4.0
429.21457	8.5
469.24344	2.6
487.25580	1.8
531.24445	39.2
532.24652	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	594.341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
57.64361	0.4
59.01376	20.8
61.98835	1.4
69.92957	0.7
69.93351	1.0
70.67395	0.4
71.01370	0.9
74.10431	0.3
78.95902	9.5
79.95724	2.8
80.96518	5.9
94.98098	1.6
97.06544	0.6
98.19975	0.6
108.09761	0.4
113.09723	1.9
119.91708	0.4
148.99138	0.5
152.98546	0.4
152.99654	2.6
164.98613	0.8
167.26108	0.3
168.04324	2.1
174.86198	0.4
177.12868	0.6
179.14400	1.3
181.12273	0.7
195.13885	23.4
196.14201	0.8
218.16570	0.4
224.06949	1.7
224.08913	0.4
225.00758	1.4
226.01053	0.7
233.22789	0.5
242.08014	3.8
255.07841	0.3
277.21713	19.9
278.22122	1.2
283.49576	0.4
295.22754	100.0
296.23083	5.4
375.86453	0.4
400.03864	0.3
415.45523	0.4
449.23026	1.6
520.30414	91.6
521.30737	7.9
534.31952	0.6
535.26184	0.6
594.26593	12.3
594.35889	0.8
595.26776	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	594.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14555	0.4
53.99072	0.4
57.03446	0.6
59.01378	17.0
61.98827	17.2
63.89425	0.5
69.17513	4.2
78.95901	24.2
80.55613	0.5
80.96523	3.4
94.98068	0.5
99.60788	0.4
103.38185	0.5
113.09705	1.8
122.98518	0.9
142.55296	0.4
146.82368	0.6
147.41460	0.5
152.99571	4.9
162.04414	0.6
168.04337	4.6
171.10251	1.3
177.12862	0.9
179.14307	0.7
195.13889	16.3
196.14285	0.8
224.06921	8.8
225.00755	0.5
242.07973	2.1
242.30031	0.5
272.66220	0.4
277.21729	15.3
278.22092	0.9
293.21234	1.2
294.21490	1.0
295.22760	59.3
296.23096	2.9
301.21399	0.5
384.23218	0.6
449.23026	1.6
520.30402	100.0
521.30798	8.4
534.31592	0.7
535.25891	0.5
547.65717	0.5
571.62408	0.5
594.26801	4.9
595.27362	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	595.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
58.54658	0.5
59.01074	0.8
59.01376	21.3
61.98827	21.5
71.01384	3.5
72.99307	1.5
73.02948	4.2
81.03460	1.0
83.01398	3.9
83.05048	0.7
84.79591	0.6
85.02939	1.0
88.98800	0.7
89.02456	0.7
93.03445	2.9
96.95988	3.0
97.06586	0.9
99.04511	1.4
101.02433	3.2
109.06566	0.6
111.04436	0.6
112.93873	0.5
113.02436	1.5
116.92847	0.7
119.05027	100.0
120.05355	2.3
121.82560	0.5
123.04474	0.7
124.06636	0.6
125.02457	1.4
135.04503	1.6
137.02452	0.7
152.01146	0.9
153.01955	0.8
153.05565	0.6
161.02438	1.4
161.04529	0.8
163.04013	62.0
164.04385	1.6
165.12897	0.6
167.03448	1.9
167.10780	1.1
168.04384	0.6
173.04527	5.8
177.40521	0.6
178.02768	0.5
179.03476	0.9
181.05057	0.9
182.02177	0.5
183.03000	0.7
183.06596	1.2
191.05545	1.2
197.04526	0.7
207.10271	1.4
207.13881	0.8
209.11798	2.2
215.60719	0.6
225.11319	0.8
225.15010	2.4
225.76270	0.6
227.12860	12.0
232.07542	0.8
251.12816	1.2
253.09235	1.3
269.13947	3.3
272.75098	0.6
287.14859	4.4
287.31271	0.5
305.17529	0.8
307.07846	0.5
311.15292	1.1
325.09409	0.6
353.15640	0.6
367.10165	1.2
373.25992	5.4
413.18173	0.7
431.19223	6.5
433.27841	1.4
451.28772	1.6
461.20349	3.2
469.62881	0.6
577.22931	3.2
595.23871	43.8
596.24048	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	595.2791
Annotation	Zn-OEP complex
Peak:m/z	Relative Intensity
59.01363	1.0
61.98827	2.1
63.96228	0.8
69.03450	0.3
69.45183	1.9
71.01378	5.7
73.02940	1.9
78.98584	5.2
79.95731	8.2
80.96513	53.9
81.03460	0.8
82.96088	0.8
83.01415	0.3
85.02949	2.2
87.00867	2.1
91.03996	0.3
93.97194	0.3
94.98082	12.6
96.95992	0.7
97.02954	0.8
99.00887	0.3
99.04469	0.5
101.02458	1.8
106.91084	0.2
106.98085	2.4
113.02422	0.4
122.96759	0.4
122.97586	4.7
125.02442	3.3
127.03973	0.4
134.97583	3.3
136.99162	1.0
148.99142	5.2
152.98625	5.9
164.41800	0.3
164.98621	10.4
167.00157	0.6
179.00108	0.3
182.99625	2.2
188.98706	0.3
195.13899	1.1
206.99681	2.4
225.00739	16.9
226.01222	0.3
243.01735	1.8
265.42648	0.3
277.21616	0.7
295.22748	1.2
299.04431	2.8
317.05624	0.4
322.37866	0.3
332.25125	0.3
421.38287	0.3
595.27869	100.0
596.28131	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	595.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15663	0.3
59.01367	1.8
61.98828	31.0
62.36036	0.3
62.98503	0.5
63.96247	0.8
69.03450	0.7
69.52328	1.7
71.01382	6.9
72.99329	0.5
73.02956	1.4
78.95914	0.5
78.98585	5.2
79.95731	9.6
80.96513	59.5
81.03455	0.9
81.95311	1.3
82.96096	7.8
82.96941	1.0
83.01396	0.3
85.02935	2.6
87.00879	2.2
88.98804	0.6
94.98079	12.8
96.33208	0.3
96.95994	1.1
96.97662	1.6
96.98495	0.3
97.02959	1.2
99.00893	0.8
101.02427	2.6
106.98073	2.5
108.97694	0.3
113.02462	0.5
121.02958	14.8
121.42929	0.3
122.03281	5.0
122.97569	3.7
123.03457	1.3
124.97121	0.6
125.02437	3.3
127.04067	0.7
134.97586	3.9
136.97198	0.5
136.99147	1.4
148.99142	5.3
150.98730	0.8
152.98622	4.0
152.99669	0.4
154.98163	0.7
161.02464	0.5
164.98625	10.1
165.01895	0.4
165.98958	0.8
166.98100	1.4
167.00197	0.6
182.99608	0.5
195.13869	0.6
206.99590	1.9
208.99240	0.6
209.04543	6.9
209.11925	0.4
210.04887	3.0
211.04991	2.3
225.00740	12.8
226.00984	1.2
227.00261	1.7
273.03796	0.3
273.15500	0.3
277.18076	1.1
277.21716	0.7
287.14911	0.4
295.19135	0.8
295.22791	1.1
296.23105	0.3
299.04321	2.6
301.04056	0.3
507.11832	0.4
521.31079	0.5
551.11182	1.5
595.27545	100.0
596.14362	0.4
596.17529	0.5
596.27966	8.9
606.04871	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43331	0.6
62.91048	0.6
64.80021	0.6
67.65484	0.6
68.53398	0.6
69.48991	2.8
69.49419	2.1
78.95901	78.8
96.58023	0.7
96.96957	14.5
98.57243	0.7
126.72778	0.7
150.98068	1.1
152.99579	100.0
166.33513	0.9
171.00630	3.5
223.00121	12.8
241.01164	28.4
259.02231	2.5
279.23276	85.2
280.23541	3.4
315.04861	12.3
333.05756	1.1
407.15668	0.8
581.01807	0.9
595.28857	86.5
596.29266	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	595.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65487	0.2
59.01382	0.6
61.98828	100.0
71.01382	0.5
71.52357	0.2
78.95905	0.9
80.96513	1.0
82.96106	1.0
94.98074	0.2
96.97680	0.3
143.90636	0.3
148.85258	0.2
151.78000	0.2
152.99644	0.3
161.02533	0.2
173.04512	0.3
195.13931	0.3
211.13394	0.4
223.13492	0.2
242.36586	0.2
248.13379	0.2
293.21118	1.4
294.21613	0.3
295.22479	0.4
390.95859	0.2
518.28607	2.0
521.30408	0.9
528.37476	0.3
595.26337	3.5
596.27838	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
57.69297	0.2
58.35078	0.2
59.01378	6.4
60.01704	0.5
61.98828	100.0
69.20966	1.6
71.01410	0.4
78.95901	7.9
79.95742	0.5
80.96513	1.7
81.95321	0.2
82.96106	0.9
94.98100	0.5
96.97001	0.2
96.97655	0.2
113.09705	0.6
122.98571	0.3
152.98552	0.2
152.99600	1.7
161.02509	0.2
164.98627	0.4
168.04332	1.0
169.04752	0.2
169.32294	0.2
179.14388	0.2
195.13896	3.6
196.14250	2.3
224.06924	2.4
225.00729	0.4
225.07283	0.6
227.00301	0.2
242.07942	0.6
277.21683	2.1
278.22086	2.8
293.21140	1.8
294.21585	0.5
295.22775	8.0
296.23105	11.8
297.23337	0.5
298.92630	0.2
326.24576	0.2
376.43369	0.2
450.23569	0.3
452.20093	0.2
486.38892	0.2
487.27426	0.2
518.28912	1.2
519.29169	0.3
520.30371	4.2
521.30743	26.6
522.30896	1.6
527.98566	0.2
595.26813	4.4
596.27539	0.4
604.58325	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3042
Annotation	Cinnafragrin D
Peak:m/z	Relative Intensity
78.95898	57.9
93.59570	0.6
96.76621	0.5
96.96958	9.3
98.19795	1.0
103.44767	0.5
120.48305	0.5
130.23367	0.5
147.00159	0.5
150.98041	1.2
152.99577	82.3
153.99911	0.8
171.00620	2.2
197.61653	0.5
223.00117	8.3
233.36740	0.5
241.01175	21.9
259.02271	1.3
281.24841	65.4
282.25198	3.2
315.04831	10.4
597.30414	100.0
598.30865	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	597.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47548	0.1
54.08782	0.1
61.98829	100.0
62.98528	0.2
63.99230	0.3
69.52147	0.1
69.89697	0.3
69.90109	0.4
78.95908	0.8
79.63435	0.2
99.00291	0.1
106.27927	0.1
139.30626	0.1
152.99646	0.3
164.84248	0.1
195.13971	0.3
215.07591	0.1
228.51254	0.1
231.10193	0.1
277.21713	0.2
295.22745	1.1
296.23260	0.3
297.23438	0.3
375.05313	0.1
449.23257	0.3
520.30341	2.2
521.30713	0.3
522.31305	0.4
523.31042	0.8
555.13849	0.1
597.31879	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47694	0.1
59.01389	0.2
61.98828	100.0
62.28157	0.1
62.98512	0.1
67.74570	0.1
69.21057	1.0
78.95904	0.5
82.96120	0.1
88.39024	0.1
101.18668	0.1
106.67284	0.1
110.29063	0.1
152.62012	0.1
152.99594	0.5
169.56149	0.1
195.13896	0.6
213.57974	0.1
220.88579	0.1
242.07927	0.1
277.21725	0.4
278.21982	0.2
279.22253	0.1
295.22733	2.1
295.25833	0.1
296.23056	0.7
297.23550	0.3
298.23782	0.3
370.79111	0.1
449.23022	0.3
520.30402	1.8
521.31024	0.2
522.31024	0.2
523.31396	0.8
597.32153	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20167	0.2
58.02971	0.3
59.01380	1.2
61.98816	1.1
69.16776	1.6
69.17201	0.9
70.95277	0.2
71.01371	0.6
73.02942	0.3
73.73474	0.2
80.05057	0.3
81.03454	10.3
82.53655	0.2
83.05024	32.6
84.05357	0.7
96.95982	0.5
100.07684	4.6
101.02426	0.3
104.58160	0.3
106.09923	0.3
126.05618	0.7
127.04026	0.5
135.04535	0.3
137.02541	0.3
151.00296	0.3
173.04503	0.4
182.15466	0.4
199.13254	0.4
199.18153	7.2
207.14958	0.6
224.17589	0.4
225.16071	7.1
226.16399	0.3
227.03468	0.6
228.03845	0.6
229.04631	0.3
230.05611	0.3
243.17123	17.7
244.17485	0.6
255.02928	1.3
256.03317	1.0
258.04773	0.3
269.14999	1.1
284.03293	1.1
285.03748	3.1
286.04346	1.9
308.23514	0.3
309.21808	1.1
321.40448	0.3
335.19897	0.3
341.28903	0.3
353.20819	7.2
354.21069	0.4
433.31992	0.4
451.32870	2.1
469.33908	13.7
470.34116	1.0
489.10147	0.4
490.10736	3.7
491.10791	0.4
495.32159	0.4
553.39612	0.3
579.37543	3.1
597.38660	100.0
598.38953	11.2
598.48761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.6
57.32327	0.3
59.01378	25.6
61.98826	1.2
69.03466	0.5
69.13287	1.1
69.13710	1.4
71.01385	3.6
72.99304	0.7
73.02945	6.8
78.95932	0.3
80.02680	0.4
82.76622	0.3
83.01382	6.8
83.75490	0.3
85.02953	0.7
87.00876	0.3
88.98787	0.6
89.02441	0.5
93.03455	0.4
95.01366	0.3
96.95988	0.5
97.06571	0.5
98.19947	0.7
99.04506	0.8
101.02447	4.6
108.02170	27.4
108.30128	0.2
109.03003	0.4
113.02445	1.7
119.05029	0.4
121.02934	0.3
123.04525	13.1
125.02446	1.0
133.02895	0.4
135.04530	1.0
143.03477	0.6
148.91434	0.3
149.09724	0.4
152.01147	59.1
153.01599	1.1
161.02516	0.5
161.04567	0.6
163.03941	0.4
165.12828	0.3
167.03488	100.0
167.10715	1.9
168.03839	2.2
170.43675	0.3
173.04575	0.9
179.03493	0.5
181.05060	0.4
201.11385	0.3
202.21973	0.2
207.13873	0.7
209.11835	2.7
223.13371	0.5
225.14885	2.7
227.12883	12.7
228.13159	0.5
230.36797	0.3
233.11807	0.9
251.12950	1.5
269.13953	5.4
279.72513	0.3
287.14984	12.4
288.15237	0.4
289.14999	0.3
293.13818	0.6
311.15030	1.2
317.13766	0.4
323.14737	0.3
329.16119	1.6
331.88998	0.3
335.14816	0.4
353.15985	0.8
359.17053	0.4
371.10123	0.4
371.17154	1.8
413.18137	1.1
431.19202	13.4
432.19485	0.9
466.74301	0.3
479.26385	1.6
497.27371	0.8
539.28552	0.6
581.22211	0.8
599.23352	18.7
600.23785	1.5
607.80499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49949	0.4
55.01846	0.4
57.03449	0.9
59.01376	26.8
61.98825	1.6
63.14165	0.4
67.15171	0.3
69.03468	0.6
69.25693	2.3
69.26112	1.1
71.01382	3.4
72.61058	0.4
73.02940	6.1
74.32748	0.4
81.03458	0.5
83.01382	8.1
85.02950	0.9
88.98795	0.8
93.01318	0.3
93.03429	0.6
96.96010	0.7
97.06589	0.5
99.04472	0.7
101.02437	4.0
108.02167	28.2
109.02985	0.9
109.06618	0.4
113.02448	1.3
123.04514	13.3
125.02441	0.8
135.04500	0.4
143.03490	0.6
149.09726	0.5
152.01141	60.5
153.01628	1.5
161.04527	0.4
165.12848	0.6
167.03481	100.0
167.10764	2.6
168.03882	2.0
173.04530	1.0
179.03465	0.4
191.54596	0.4
203.05585	0.4
207.13840	1.0
209.11801	2.5
225.14923	2.5
227.12854	13.7
228.13170	0.6
233.11824	1.6
251.12834	1.8
269.13910	5.2
287.14963	13.0
293.13702	0.7
311.14935	1.8
329.16083	1.7
335.15317	0.5
353.15942	0.8
371.09393	0.4
371.17249	1.9
413.18243	1.0
431.19208	13.0
432.19220	0.6
479.26328	1.0
534.32953	0.4
581.22290	0.5
599.23364	17.8
600.23944	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	599.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79107	0.3
52.58540	0.4
55.01874	0.4
56.39236	0.3
57.03450	0.5
59.01377	100.0
60.01714	0.6
61.98829	2.0
71.01380	5.2
71.52037	0.3
72.99294	0.3
73.02957	2.2
74.25453	0.3
81.03461	1.0
83.01376	1.4
83.03885	0.3
83.05017	3.1
84.05345	0.8
85.02953	2.7
87.00871	0.5
88.98795	1.4
89.02438	2.6
93.03460	0.4
95.01396	0.8
96.96021	2.3
99.00893	0.4
100.07685	0.3
101.02436	4.8
109.03020	0.3
113.02430	2.4
119.03500	0.5
122.03813	0.3
123.04493	0.6
125.02396	0.3
133.02907	0.3
134.03751	3.3
135.04465	0.4
136.01608	1.6
137.02370	0.3
139.11276	0.5
149.06050	2.5
151.03987	2.3
161.02431	0.4
161.04572	1.1
173.04517	0.6
183.10237	0.5
191.05652	0.3
193.05077	0.4
199.18202	0.5
211.06117	0.8
225.11308	0.4
226.16362	0.4
231.24210	0.3
243.12454	0.4
243.17197	1.0
244.17410	0.8
279.19730	0.5
283.10919	0.4
298.10703	0.4
335.22232	0.9
347.22043	0.4
377.23355	0.5
387.16626	0.4
423.82959	0.3
470.34244	0.4
471.34415	0.9
479.26459	10.7
479.33417	0.6
480.26962	0.8
497.27518	11.7
498.27982	1.1
539.20612	0.6
539.28558	8.9
540.28760	1.1
598.38953	1.4
599.13782	0.6
599.23663	4.9
599.39178	11.9
600.23303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.4
59.01377	100.0
60.01703	0.5
61.64809	0.4
61.98824	0.6
69.49935	2.4
71.01377	5.9
72.34966	0.3
73.02943	2.0
83.01395	0.8
83.05038	0.7
85.02937	2.7
87.00891	0.7
88.98835	1.0
89.02448	2.2
91.82877	0.3
93.03509	0.4
95.01379	0.6
99.00901	1.0
101.02441	4.4
109.02958	0.7
110.80958	0.4
112.89731	0.4
113.02454	2.5
119.03529	0.8
122.03702	0.5
123.04504	2.0
133.02957	0.6
135.04510	0.7
137.02467	0.4
143.03537	0.5
152.53416	0.3
161.02538	0.5
161.04588	1.5
167.03572	0.6
173.04590	0.4
191.05664	0.4
225.16206	0.4
227.12857	0.8
271.02466	0.6
306.22906	0.4
314.04337	0.8
315.04996	1.0
327.22433	0.4
333.20624	0.4
335.22379	2.2
359.07886	0.4
479.26462	11.7
480.27310	1.2
497.27493	13.0
498.28448	0.6
519.11713	2.0
520.11700	0.8
521.11481	0.4
539.28571	11.1
539.36487	0.7
540.29559	1.3
555.25171	0.8
599.23755	1.4
607.94623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49409	0.2
55.88911	0.2
57.03446	0.5
57.18110	0.2
59.01378	100.0
59.04623	0.3
60.01716	0.7
61.98830	2.1
71.01373	4.2
71.52602	0.4
72.99309	0.5
73.02944	1.9
83.01385	0.8
85.02950	1.7
87.00880	0.5
87.71400	0.2
88.98802	1.1
89.02437	1.3
91.53370	0.2
93.03458	0.4
95.01393	0.3
95.62943	0.2
96.96030	0.8
97.02966	0.4
99.00895	0.4
101.02445	3.8
108.02193	0.4
113.02464	1.6
119.03519	0.4
119.63619	0.3
123.04528	0.6
125.02496	0.4
134.03729	0.2
135.04549	0.9
137.02414	0.3
143.03554	0.4
152.01111	1.3
153.05592	0.3
159.02972	0.2
161.02527	0.5
161.04541	1.1
167.03474	1.7
173.04498	1.1
178.02779	0.3
179.03522	0.6
181.04962	0.3
191.05544	0.3
193.05124	0.3
207.39774	0.2
211.06281	0.3
212.03427	0.2
251.13171	0.3
312.37668	0.2
333.20660	0.4
335.22281	2.7
351.08807	0.3
408.15665	0.2
479.26489	10.3
480.27261	0.9
497.27597	7.3
498.28299	0.5
539.28583	9.9
540.29388	1.0
581.21405	0.3
599.23846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01377	100.0
60.01722	0.4
61.98829	42.7
63.99258	0.5
67.54932	0.4
71.01378	6.0
71.52756	0.5
72.99320	1.4
73.02940	2.6
77.94751	0.5
83.01401	1.5
83.05048	0.6
85.02946	2.2
87.00903	1.3
88.98850	0.7
89.02454	2.5
89.67447	0.4
93.03457	1.9
96.96021	1.6
99.00880	0.8
99.04538	1.9
99.52015	0.4
101.02439	5.7
109.02937	0.8
113.02460	2.8
115.31898	0.5
115.85461	0.5
116.47624	0.4
116.92855	0.8
119.03502	1.8
123.04535	1.0
127.07707	0.5
133.02957	1.3
135.04536	1.7
137.02469	0.9
143.03615	0.5
153.01964	0.5
161.02478	1.3
161.04576	1.6
171.10405	0.5
173.04533	5.0
177.01935	0.5
179.03561	1.2
185.68709	0.5
188.83000	0.4
191.05659	1.3
209.11861	0.7
229.08633	0.4
232.07416	1.0
263.30334	0.4
285.84595	0.4
287.20306	0.6
303.19794	0.5
305.21213	4.9
317.21182	0.6
347.22421	1.0
351.21747	2.9
407.17004	0.6
449.25406	9.7
450.25931	0.7
467.26498	8.1
468.26920	1.2
479.26492	3.5
491.59991	0.5
497.27866	1.5
509.27484	20.3
510.28125	1.8
536.31683	1.1
537.33490	0.6
539.28510	3.1
555.28033	2.5
563.21509	0.6
599.24622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.8
57.20098	0.5
59.01378	100.0
61.98831	9.0
69.21665	1.3
69.22084	4.2
71.01382	7.4
72.99317	1.2
73.02939	3.3
83.01392	0.9
85.02942	3.6
87.00883	0.6
89.02457	2.7
93.03483	1.7
95.01384	0.8
96.96011	1.1
98.19910	1.0
99.00899	0.6
99.04557	1.0
101.02439	5.6
101.17684	0.5
105.01958	1.0
108.02208	1.0
109.02975	0.7
113.02467	3.6
114.96981	0.6
117.56248	0.6
119.03507	0.8
119.05002	0.7
123.04517	5.1
133.02921	0.7
135.04565	1.9
146.26349	0.6
152.01137	0.7
153.05569	7.7
154.05891	0.7
156.71651	0.7
160.38580	0.6
161.02452	1.4
161.04630	1.8
171.10294	1.7
173.04572	5.3
175.98822	0.6
179.03456	1.3
209.11824	1.4
219.54094	0.6
232.07487	1.4
234.59573	0.7
242.60164	0.6
257.13031	1.6
264.08896	0.7
287.20255	0.8
305.21146	5.0
327.21884	1.1
333.20773	2.5
335.22177	3.1
338.88489	0.6
389.16040	1.0
407.17337	1.0
449.25439	8.7
449.30472	0.7
455.12399	0.6
463.17368	0.7
467.26495	11.0
468.27234	1.1
479.26541	3.1
497.27750	1.8
509.27524	29.5
510.27899	3.2
536.31946	1.0
539.28949	3.7
555.28271	1.8
561.23517	1.4
563.31012	0.8
599.18536	1.5
599.27435	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
57.03449	0.5
59.01379	100.0
61.98836	1.4
66.39358	0.4
71.01379	10.6
71.51917	0.5
71.52316	0.6
72.99311	0.7
73.02954	3.9
75.00846	0.4
83.01388	1.8
85.02951	4.1
87.00878	0.9
88.98828	1.0
89.02435	4.1
93.03507	0.8
95.01389	1.3
96.96026	1.2
99.00877	1.1
101.02439	7.7
111.00911	0.5
113.02454	5.4
116.92893	0.7
119.03504	1.9
123.04547	1.0
125.02454	0.8
133.05061	0.6
135.04568	0.5
137.02495	0.4
139.04048	0.7
142.33095	0.4
143.03537	1.0
146.33141	0.4
149.04588	0.4
153.05600	0.9
161.02414	0.4
161.04582	2.4
168.29927	0.4
173.04549	1.0
185.34209	0.4
191.05617	0.5
203.05681	0.7
238.83369	0.4
295.73190	0.4
317.21249	0.4
333.21005	0.7
335.22330	1.8
347.22424	1.5
352.32376	0.5
377.23508	1.0
379.21533	0.6
431.24463	0.7
479.26477	23.7
480.27115	1.6
497.27560	14.2
498.28088	1.9
539.28540	14.0
540.29144	1.7
580.26886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.37863	8.2
103.44369	1.1
158.49530	1.0
184.32721	1.2
202.02124	1.1
266.75821	1.5
403.68994	1.1
461.80698	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03433	1.5
59.01379	70.5
61.98836	1.6
63.16892	1.2
69.46342	0.9
71.01385	19.0
71.52201	1.5
72.99310	3.0
73.02966	8.0
73.82259	1.0
83.01370	3.6
85.02953	8.5
87.00876	2.4
89.02451	6.4
93.03498	1.3
99.00899	1.5
100.35195	1.0
101.02450	11.3
113.02448	7.4
119.03537	2.2
123.04489	4.1
125.02436	2.0
135.04486	1.1
137.02415	2.2
139.11258	1.9
143.03569	1.3
151.11366	1.3
167.03490	1.3
169.12363	2.3
189.73219	1.2
209.11794	2.6
243.70610	1.0
253.98445	1.1
271.02420	1.5
291.23111	1.4
299.02115	1.8
307.22766	1.2
309.24356	2.6
353.23312	1.5
389.16104	1.7
453.28543	3.4
471.29620	8.8
481.27670	2.7
497.27390	1.4
515.46686	1.3
557.29626	100.0
558.29822	9.2
562.08771	1.3
601.15503	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	601.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01380	88.3
61.98824	5.2
71.01388	22.7
71.05019	1.5
71.52369	1.4
72.99303	4.7
73.02934	8.7
75.00868	3.2
81.03455	2.7
83.01388	3.9
85.02955	8.5
87.00873	1.8
89.02429	7.0
92.66703	1.2
93.03444	2.7
95.01414	1.6
97.06581	1.8
99.00901	1.6
99.04522	1.9
101.02438	10.6
104.09002	1.2
109.02921	1.5
110.86956	1.2
113.02451	8.4
119.04993	3.9
123.04523	3.7
133.02966	2.0
134.03772	2.4
135.04535	4.5
137.02438	2.3
139.11296	1.3
145.02933	1.4
151.00348	1.8
161.02432	4.3
161.04659	1.6
163.03973	1.7
169.12303	2.2
173.04546	2.0
178.02719	2.0
199.04004	3.0
209.11797	2.4
211.02257	1.5
211.08745	1.6
227.03394	2.5
242.02177	1.5
243.02881	4.6
251.77524	1.6
255.03023	3.6
270.01727	2.6
271.02527	9.4
299.01965	28.4
300.02612	5.2
301.03400	2.8
309.24390	2.8
317.17401	1.3
353.23398	9.7
389.16010	2.3
416.15381	1.5
453.28470	2.1
461.25421	2.1
471.29651	3.8
479.26547	1.5
497.27454	2.7
503.08099	2.9
504.09195	17.2
505.09485	2.0
515.28400	2.6
521.27716	2.4
541.30096	2.3
557.29651	100.0
558.30060	8.6
583.21637	1.6
601.15088	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	601.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.8
59.01379	13.4
61.98828	1.2
70.61436	1.2
71.01380	5.8
72.99314	1.7
73.02938	1.2
81.03436	0.6
85.02953	2.5
85.96553	0.5
87.00874	1.0
89.02444	5.2
93.03461	0.8
95.01379	0.6
96.96026	1.0
97.06635	0.6
99.00839	0.7
101.02441	5.3
109.02924	0.8
113.02474	2.1
119.03513	1.2
121.02934	0.8
123.04501	1.9
135.04498	1.5
143.03566	0.7
149.02480	0.9
161.02516	0.6
161.04527	2.9
164.62364	0.7
169.12326	0.6
171.10298	2.2
173.04572	1.2
179.05624	1.3
195.13904	7.3
205.12265	1.1
209.11803	0.9
211.13306	1.5
223.13376	4.4
228.13541	0.7
235.08322	0.7
253.09280	31.2
254.09720	0.9
256.13187	0.9
275.20139	6.0
293.21219	100.0
294.21606	6.4
353.23209	1.8
389.15955	1.0
407.17319	0.7
445.04663	0.6
492.22141	0.8
515.28766	2.5
529.30652	0.8
557.29578	15.0
558.29883	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	601.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22323	0.6
56.77785	0.5
59.01379	100.0
60.01725	0.6
61.98837	1.8
64.02456	0.5
67.91037	0.5
70.81055	0.5
71.01376	7.5
71.51904	0.7
72.99321	1.7
73.02596	0.5
73.02956	3.6
76.44669	0.6
81.03460	1.7
83.01392	1.0
85.02957	2.7
87.00894	0.8
89.02464	2.3
93.03471	1.5
95.01397	1.2
96.96049	0.9
97.06538	0.6
101.02448	6.1
113.02448	3.1
119.03540	1.4
119.05068	0.9
121.02953	0.8
123.04503	2.9
125.02483	0.6
135.04532	1.3
137.02473	1.3
149.02451	1.1
149.57970	0.5
161.02496	1.3
161.04597	1.7
163.04039	1.0
167.03571	0.8
173.04572	1.3
175.05067	0.6
178.02669	0.9
179.03493	1.0
193.01343	0.6
193.05066	0.6
209.11874	1.6
211.02556	0.7
222.50777	0.6
241.01587	0.6
242.02293	0.6
264.18542	0.6
271.02417	0.7
299.01901	2.7
301.21997	0.6
337.23752	0.6
353.23514	2.2
384.89615	0.6
389.16302	2.1
433.25995	0.7
481.28055	27.0
482.28677	1.9
499.29184	8.2
504.09219	1.0
541.30164	18.9
541.37738	1.1
542.31049	1.8
557.29822	8.5
558.30365	0.6
601.15784	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.1
59.01378	2.5
61.98823	6.3
62.39373	1.0
71.09840	1.9
81.03480	1.2
121.06603	1.3
121.10219	3.7
123.04501	4.8
123.08193	5.7
133.02992	7.4
134.03741	3.8
135.04498	3.5
137.02419	2.1
137.09671	1.1
139.11298	3.9
139.50989	1.2
142.02667	2.2
149.09680	1.5
151.11348	2.2
152.99532	1.3
155.14391	1.9
171.10245	11.1
177.01985	2.7
178.02705	9.3
179.03415	2.9
191.14513	1.9
199.13393	18.4
233.15421	2.2
245.19061	8.2
255.51688	1.2
271.16943	2.3
275.20166	16.9
289.18091	59.7
290.18329	2.9
293.21191	15.9
307.19119	100.0
308.19534	5.9
309.20871	2.1
325.20456	1.8
347.07584	1.5
465.29974	1.6
601.33777	3.7
602.32318	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	603.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50362	1.4
57.03450	2.8
57.16574	1.7
58.00608	1.6
59.01381	100.0
61.98836	8.6
69.22945	14.4
71.01385	13.7
73.02951	4.7
78.95892	1.5
83.01376	3.2
83.05014	3.6
85.02951	4.4
87.00862	1.9
89.02455	4.6
101.02447	8.4
113.02448	4.9
119.03497	2.8
124.45848	2.0
133.13515	1.7
135.04468	2.8
157.78453	1.6
161.02498	3.4
161.04599	3.1
163.11258	2.5
171.10246	4.5
173.49599	1.6
209.11830	72.2
218.00348	1.5
227.12848	6.6
299.69116	1.8
319.08298	1.8
319.22525	2.2
375.27423	3.5
423.54752	1.6
463.26929	9.7
481.28091	16.0
523.29156	23.3
603.27350	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70572	0.5
60.99303	16.4
62.05251	0.4
67.98626	0.4
68.40406	0.4
69.20348	1.5
69.20762	2.8
78.95910	1.1
85.29426	0.4
87.00875	1.2
88.00394	3.0
88.98804	100.0
89.02443	25.6
89.99126	0.7
145.03046	0.4
152.99599	0.5
161.02509	0.6
165.87273	0.4
277.21643	0.5
293.27335	0.5
467.46890	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99302	15.5
70.11090	2.2
78.95893	0.8
80.68504	0.5
87.00871	2.1
88.00391	2.3
88.98801	100.0
89.02440	31.7
89.99132	0.6
94.41710	0.4
98.20668	0.8
133.02977	2.4
151.03990	1.9
152.99550	0.6
153.05772	0.5
161.02411	8.2
162.87988	0.5
232.07211	0.5
272.14130	0.5
277.21597	0.7
344.35147	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.7
57.03434	0.7
57.09981	0.5
59.01380	100.0
61.98837	2.0
71.01386	5.4
71.08866	0.8
71.09191	0.7
72.99289	0.6
73.02957	2.7
83.01395	1.1
85.02950	2.5
87.00887	1.4
89.02462	1.4
95.01401	0.7
96.96064	0.6
101.02461	2.8
113.02476	2.0
116.32091	0.5
119.03520	0.5
119.05048	0.7
135.04526	1.8
149.02504	0.5
161.02502	1.9
171.10286	0.8
179.03519	0.9
250.26361	0.5
261.74823	0.6
265.18088	0.9
325.23987	2.0
337.23944	2.8
355.24918	9.1
483.29630	9.5
484.30099	0.8
499.29068	2.9
501.30963	1.5
517.30109	6.7
518.30835	0.7
543.31683	8.4
559.31201	42.4
560.31598	4.0
604.33392	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	44.3
61.98825	15.2
71.00082	6.3
71.01368	12.4
72.01761	3.1
72.99307	5.6
74.73214	3.4
83.01367	5.6
83.65253	3.1
89.02438	10.3
96.96013	8.1
97.02962	3.9
97.06584	3.3
101.02433	10.8
109.03001	4.0
113.02435	4.4
125.09719	10.4
135.04485	7.3
137.09729	6.4
147.23273	3.3
147.24643	3.3
161.02383	4.4
161.04527	7.5
163.11301	8.1
171.10291	3.4
173.04478	5.2
179.03442	3.6
179.68338	3.5
185.11801	7.5
187.07632	5.5
191.14409	10.6
207.10269	4.8
209.11777	37.6
225.11411	3.4
227.10037	3.4
227.12746	3.5
237.11246	6.1
245.19077	18.0
253.09283	39.1
263.19992	3.7
269.91299	3.0
289.18100	88.4
290.18347	6.1
307.19153	100.0
308.19342	3.6
391.21243	3.5
527.18756	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	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.1
61.98822	0.4
63.17622	0.3
63.29594	0.3
69.72848	1.1
69.73255	0.7
71.01363	1.1
73.02924	1.0
80.96508	1.0
87.57629	0.3
92.87439	0.4
94.34034	0.4
94.43055	0.3
97.06583	2.0
101.02442	1.3
109.97834	0.3
113.02449	0.9
125.02454	0.4
153.12846	1.0
160.84265	0.4
161.02359	0.5
164.57224	0.3
178.27541	0.3
183.17574	0.3
213.31592	0.3
227.16504	2.6
239.16582	1.8
289.18140	0.8
295.22745	1.2
307.22751	1.5
319.22852	0.7
325.19974	0.6
325.23810	13.4
326.24127	1.3
335.21783	0.4
337.20050	0.4
337.23871	5.7
338.23877	0.4
355.24863	100.0
356.25217	7.8
397.26035	1.7
559.31335	1.5
603.21167	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	603.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87197	2.1
59.01376	53.1
61.98829	11.2
70.62035	6.3
71.01379	6.6
81.85889	2.4
83.01332	2.2
83.05025	4.4
89.67760	2.0
95.05018	2.3
96.95999	19.6
97.06567	2.9
97.44708	2.0
101.02438	7.9
113.02430	3.0
123.04548	3.6
125.09708	5.2
135.04488	3.6
161.02406	3.2
161.04494	3.0
163.11261	9.5
165.12717	3.7
171.10251	5.8
179.03468	3.3
185.11826	3.7
190.08557	2.6
191.14423	5.0
195.10153	2.8
197.18517	2.2
207.10255	3.1
209.11806	100.0
209.13818	5.1
225.11392	2.3
227.12868	9.1
237.11270	3.8
245.19037	9.8
253.09282	31.3
263.20184	3.4
266.28259	2.1
289.18088	55.2
290.18652	3.7
295.22641	3.4
307.19110	57.9
308.19534	4.1
311.25482	3.2
337.36884	2.7
485.50916	2.8
511.12823	2.5
548.28363	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88531	1.2
55.01868	1.5
55.22002	1.3
57.03446	4.5
59.01382	100.0
60.01709	1.3
61.98833	5.6
62.71471	1.4
69.47235	7.7
69.47655	2.7
71.01381	17.1
72.62894	1.3
72.99324	1.9
73.02955	6.2
83.01395	3.1
85.02954	10.2
87.00913	1.9
88.98815	6.4
89.02446	6.3
95.01392	1.7
96.96008	4.4
99.00850	2.2
99.04507	1.8
99.92585	2.5
101.02443	14.8
113.02441	8.8
114.52665	1.4
116.92866	3.5
119.03421	2.5
123.04527	5.8
125.02448	3.1
134.03653	2.0
135.04541	2.0
137.02428	2.0
139.03938	1.3
149.04492	1.6
151.04036	1.4
153.05591	8.0
161.02481	3.0
161.04581	4.8
177.01793	1.3
177.67242	1.4
178.02600	2.3
179.03508	2.4
193.05052	3.1
212.27133	1.4
319.22806	2.0
355.24841	2.7
367.24667	1.9
499.29129	82.8
500.29462	6.9
517.30115	21.8
518.30682	2.2
536.08527	1.5
541.22870	5.7
559.31140	20.4
560.31677	2.2
603.22412	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	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	45.7
61.86740	1.4
61.98827	6.7
71.01381	4.0
71.81625	1.3
76.50217	1.3
76.73357	1.2
78.95894	1.9
81.03452	1.9
83.05038	3.0
89.02431	2.7
91.12439	1.5
96.96017	11.5
101.02460	3.7
121.06332	1.3
125.09699	2.5
131.12262	1.6
133.05576	1.4
135.04517	3.3
161.02394	2.3
161.04501	1.6
163.11261	3.5
165.12727	1.9
167.24077	1.4
171.10333	7.3
179.03436	1.3
185.11891	2.2
191.14438	1.5
209.11818	100.0
210.12169	4.3
227.12823	11.2
245.19052	5.3
247.13390	2.5
253.09181	7.2
289.18100	18.0
295.22864	3.4
307.19162	14.1
311.25562	1.7
350.58490	1.4
375.89291	1.4
408.61215	1.3
449.24564	1.5
551.93469	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	603.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98484	0.2
53.86627	0.1
57.03444	0.4
59.01377	100.0
60.01709	0.5
61.98836	0.8
71.01379	4.0
71.52315	0.2
71.98186	0.2
72.28327	0.2
72.99329	0.5
73.02955	0.9
82.42368	0.2
83.01402	0.6
83.05014	0.2
85.02949	1.7
87.00888	0.3
89.02455	1.1
92.59874	0.2
93.03493	0.3
95.01395	0.3
96.96041	0.2
99.00877	0.3
101.02454	2.3
105.37879	0.2
113.02448	1.9
119.03529	0.4
129.01981	0.2
133.03070	0.2
135.04541	0.9
137.02449	0.4
143.03506	0.3
159.03073	0.2
161.02475	0.5
161.04587	0.8
163.04039	0.3
176.01097	0.2
179.03506	0.8
181.05051	0.2
209.11781	0.3
303.23166	0.3
307.41525	0.2
337.23981	0.3
339.25208	0.2
351.25504	0.6
355.24838	2.5
356.24930	0.2
381.26639	0.2
399.18115	0.3
483.29605	17.1
484.29938	1.4
501.30655	5.4
502.31076	0.6
512.75616	0.2
543.31720	17.1
544.31836	1.7
559.31488	0.8
603.34229	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
59.01377	100.0
60.01715	0.6
61.98809	0.7
65.07720	0.3
69.17472	0.9
69.17892	1.8
69.30730	0.3
71.01377	7.6
72.99315	1.0
73.02948	2.4
83.01398	1.0
85.02943	2.3
85.69431	0.3
87.00893	0.7
88.98819	0.7
89.02444	3.2
93.03463	0.4
95.01389	0.4
96.96032	0.9
98.19900	0.5
99.00883	0.7
99.92606	0.4
101.02439	5.5
108.02184	0.4
109.02956	0.7
113.02447	3.4
116.92893	0.3
119.03531	0.8
123.04544	0.9
134.03743	0.6
135.04527	1.1
137.02452	0.4
139.04016	0.5
143.03543	0.7
149.04514	0.3
153.05614	0.6
154.69714	0.3
155.57793	0.3
161.02463	0.6
161.04550	1.4
169.02856	0.3
173.04430	0.3
179.03508	0.6
179.05621	0.4
191.05606	0.5
304.15991	0.3
339.25607	0.5
359.53003	0.3
381.26730	0.5
483.29626	9.7
484.29971	1.2
501.30676	17.8
502.31363	1.3
543.31696	18.7
544.24719	0.3
544.32379	1.3
554.31573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.3
58.84712	0.3
59.01377	100.0
60.01714	0.7
60.31946	0.2
65.19827	0.2
69.84947	1.3
71.01376	2.7
73.02961	1.6
83.01394	0.3
85.02915	1.3
89.02464	1.1
99.00870	0.5
101.02446	3.0
113.02458	1.1
119.03522	0.3
125.02400	0.3
132.41939	0.3
135.04501	0.4
161.04572	0.9
168.03511	0.2
483.29599	4.9
484.30301	0.4
501.30664	8.0
502.30508	0.5
502.79556	0.2
543.31714	9.2
544.32397	1.1
545.26245	0.3
603.33893	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06102	0.6
58.02972	10.5
59.01357	1.3
60.85884	0.6
61.98834	3.4
69.65147	4.0
70.02969	5.0
71.01382	1.0
71.44892	0.7
72.00909	3.2
73.15469	0.6
90.51536	0.7
91.05515	3.0
96.96007	2.0
98.20670	0.9
112.36253	0.6
135.04509	0.9
147.04520	20.3
148.04785	1.1
164.07158	60.8
165.07512	1.5
173.04541	0.8
182.13112	0.7
182.22795	0.9
192.70341	0.7
206.08208	100.0
207.08490	3.2
297.51962	0.7
346.87555	0.9
356.91370	0.8
388.39560	0.7
405.13434	0.7
628.56958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	1.0
69.46768	0.5
71.52437	0.8
78.95901	49.6
79.13993	0.6
87.00902	2.7
96.96020	1.4
96.96957	6.3
99.92557	0.7
115.92045	1.9
116.92840	1.1
121.57124	0.5
126.20167	0.5
133.02831	0.6
140.01192	1.2
142.19902	0.5
150.98006	2.1
152.99579	100.0
171.00645	1.4
171.52774	0.6
179.89197	1.6
180.89975	2.0
181.39003	0.7
196.03882	0.8
196.89464	2.4
214.04842	1.6
220.99167	0.5
236.79939	0.6
236.92574	1.4
252.06210	0.7
254.60410	0.6
266.65771	0.6
277.21701	21.9
278.21951	1.2
294.08081	0.6
326.10077	18.6
327.10379	0.8
334.96149	0.6
344.11203	0.9
431.22287	1.1
474.26389	2.5
544.30322	0.9
604.32550	46.7
605.18243	4.3
605.32349	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	605.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98793	0.6
62.96409	1.2
70.09298	0.5
70.75117	1.1
70.75468	0.8
71.01392	1.5
78.95901	100.0
85.56075	0.6
96.95986	1.7
96.96967	4.9
98.95548	1.3
99.92574	10.7
100.91146	0.7
100.93371	1.9
115.92075	36.1
116.92128	1.3
116.92857	26.0
117.92908	0.8
120.96960	1.2
133.02916	0.6
142.94403	1.2
150.98010	4.8
152.99582	37.0
155.95175	1.8
161.02385	0.7
163.89703	1.4
164.90443	2.5
171.00638	5.3
172.95444	5.2
178.88412	14.1
179.89217	31.4
180.90001	23.9
181.90808	1.6
188.90430	0.7
194.87921	3.8
196.89471	40.4
197.89525	1.5
204.90044	1.4
205.90750	2.9
206.91566	2.2
208.89496	2.0
211.18994	0.6
212.89037	0.9
218.91585	1.5
219.92276	1.8
221.90242	1.6
234.91040	2.0
235.91789	8.0
236.92596	20.5
237.92804	0.8
252.92073	3.5
253.92758	0.7
270.93100	1.2
277.21677	9.3
278.22064	1.9
278.93649	2.5
292.95184	1.2
295.93842	0.8
309.95538	1.9
350.34344	0.6
388.59616	0.7
431.22055	1.1
433.16653	0.7
455.09460	0.8
458.11703	0.7
496.13248	4.2
497.14066	6.9
500.27994	0.7
514.14240	5.0
515.14673	1.0
527.10712	0.8
539.14215	1.1
557.15961	3.5
569.16046	8.3
570.16449	1.1
571.13696	1.0
583.14362	1.3
587.17114	8.8
588.17114	1.0
601.14978	3.8
605.18182	67.5
606.18402	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	605.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17170	0.7
61.76325	0.7
62.96413	1.4
69.94262	2.3
70.46799	0.7
71.01373	1.8
73.90063	0.7
78.95899	100.0
96.96004	1.3
96.96948	5.5
99.92583	9.5
100.93365	2.1
115.92068	31.7
116.92193	1.1
116.92858	24.8
120.96975	1.7
124.22382	0.7
142.94354	1.2
150.98016	4.0
152.99571	34.2
155.95207	1.5
161.02422	2.9
163.89688	0.8
164.90489	1.9
171.00700	4.7
172.95473	5.8
178.88409	11.1
179.89198	29.0
180.89993	19.5
181.90855	2.0
194.87863	2.9
196.89471	40.9
197.89435	1.0
205.90744	3.2
206.91521	2.7
208.89484	2.2
219.92349	1.7
233.99458	0.7
234.90982	1.4
235.91780	6.0
236.92577	18.2
252.92033	2.6
253.92639	0.8
270.93237	1.9
277.21707	11.7
278.21988	1.5
278.93625	2.7
292.95294	1.7
294.05240	0.8
309.95584	1.6
431.22052	1.7
435.33765	0.9
496.13220	2.0
497.13873	6.4
500.09146	0.7
501.27667	0.8
514.14166	5.4
542.25238	0.9
557.16028	3.9
569.16211	7.0
587.17047	6.6
601.14630	3.4
605.18158	57.8
606.18390	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	605.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.4
59.01378	12.5
61.98832	1.3
70.37177	1.0
70.37543	1.0
71.01395	2.3
72.99313	0.7
73.02937	1.4
83.01389	4.0
83.05038	0.9
85.02941	0.8
87.00883	1.3
88.98798	1.1
89.02444	0.6
93.03449	0.7
93.65279	0.4
96.96028	0.8
97.06602	0.9
98.30926	0.5
101.02431	2.3
107.05033	3.3
108.48757	0.4
109.02961	1.3
113.02407	1.0
119.05018	0.8
120.05786	0.8
121.02945	1.6
121.06509	0.6
123.04544	0.9
128.03545	0.5
133.02971	1.6
134.03738	44.2
135.04608	3.3
137.02451	8.8
139.04015	2.8
149.02438	0.8
149.06071	15.2
150.03226	1.2
151.07658	0.5
153.01949	0.8
161.02414	0.8
161.09717	4.4
161.13382	2.3
163.07632	0.6
163.11293	1.1
165.01862	0.6
173.04521	0.8
178.02705	33.0
179.03392	2.8
185.09673	0.5
186.42589	0.6
187.11296	5.7
189.09192	4.6
193.05043	100.0
194.05354	3.5
203.10753	1.2
205.12363	3.1
207.10228	2.5
223.13356	3.3
231.10254	2.2
249.11281	4.8
263.12872	0.6
267.12344	4.2
273.11194	1.1
291.12329	1.6
309.13275	0.8
315.12308	1.4
333.13373	1.3
346.07324	0.8
351.14355	1.3
359.09790	0.5
411.16562	14.4
412.16940	0.8
424.04736	1.2
461.23813	0.6
501.30130	0.7
503.31180	1.0
605.22321	17.1
606.22308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17783	0.4
61.98827	1.4
65.01649	0.4
69.89857	1.4
91.74606	0.4
104.01778	0.5
111.82828	0.5
128.75522	0.4
133.02965	1.1
161.02429	3.9
162.06898	0.5
197.85440	0.5
317.04590	0.5
333.37161	0.6
413.14542	0.4
415.15546	0.8
416.16412	0.4
427.09967	0.5
429.17047	0.7
430.18271	0.9
443.19104	1.0
444.19656	0.7
444.51569	0.4
457.20242	1.5
459.17706	2.8
467.18918	0.5
471.18088	1.1
473.19525	5.4
474.20581	0.8
475.21536	0.9
485.19052	1.4
485.24564	0.7
486.20630	2.8
487.21567	1.0
496.19516	0.7
497.19717	0.6
499.17822	1.5
501.23700	3.1
511.21414	2.7
513.19226	2.3
514.20044	8.8
515.20349	1.1
517.18781	1.2
518.19617	1.8
528.22186	0.6
529.22418	100.0
530.22705	12.6
532.21307	1.5
533.21838	1.7
561.24939	1.1
573.21436	1.4
598.23804	0.6
605.24316	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	605.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	0.5
59.01379	8.5
67.83157	0.6
69.84951	2.8
71.01360	2.6
71.05008	0.7
71.86369	0.5
73.02944	2.0
74.46606	0.5
83.01369	0.6
85.02936	1.0
87.00835	0.6
88.00392	0.5
101.02440	2.3
105.21799	0.5
113.02430	1.5
121.10198	0.7
159.69371	0.5
161.02481	0.7
185.11746	1.0
199.13480	3.0
229.44476	0.5
237.17404	0.6
297.24310	1.4
327.21628	0.9
327.25406	12.2
328.25558	0.7
339.25342	8.4
340.94290	0.7
341.27008	2.1
357.26425	100.0
358.26733	6.3
399.27600	1.6
501.30161	0.7
519.31616	3.7
561.32751	32.8
562.33337	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	605.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93788	0.6
57.03438	1.3
58.94781	0.5
59.01379	23.1
61.59445	0.8
61.98819	2.5
62.99776	0.7
71.01376	8.3
71.05018	0.6
72.99302	1.7
73.02947	5.0
75.00890	0.7
79.00645	0.6
83.01384	1.5
85.02937	3.3
87.00880	2.2
89.02427	3.0
95.01398	1.4
97.02981	0.8
99.00900	0.8
101.02438	5.9
101.98476	0.5
102.17159	0.6
110.94950	0.5
113.02458	2.9
119.03474	0.6
125.02491	1.0
135.04575	0.7
178.78220	0.6
185.11804	1.2
199.13368	1.2
211.13367	0.9
253.09270	1.0
263.70120	0.5
291.19528	1.0
309.20636	1.1
309.24323	0.9
327.25385	5.0
339.25342	9.4
341.27036	1.8
357.26410	19.7
358.26712	1.5
501.30582	6.5
502.31152	0.9
519.31763	15.3
520.31873	1.3
561.32745	100.0
562.33154	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	605.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06443	0.3
57.03448	1.5
59.01378	5.0
61.98827	4.1
69.03447	0.4
69.57967	1.8
71.01371	2.2
73.02950	1.2
75.00819	0.3
79.95739	0.4
80.96504	0.6
83.01366	0.4
85.02951	0.3
87.00850	0.8
87.04496	0.3
94.98033	0.4
97.06629	0.3
101.02436	1.1
113.02466	0.7
121.10239	0.3
125.09691	0.4
135.04527	0.5
139.11299	0.5
143.03447	0.4
153.01923	0.3
161.02390	0.9
179.03474	0.4
185.11716	0.4
203.05699	0.3
225.00760	0.4
227.16510	0.9
241.18184	0.4
293.20999	0.6
309.24298	1.4
311.22321	3.8
321.24716	0.3
327.25381	1.9
339.25354	6.6
355.24960	0.3
357.26431	100.0
358.26810	6.6
371.28012	1.3
399.27637	1.8
441.28601	0.4
489.30099	0.3
501.30014	0.6
519.31781	1.2
561.32751	7.4
561.41296	0.6
562.33264	0.6
605.22577	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	606.3042
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49351	0.4
55.22768	0.4
59.19410	0.5
60.99008	0.9
60.99305	12.5
61.98819	1.3
78.95431	0.7
78.95898	11.0
86.02782	0.6
87.00864	1.0
88.00404	2.7
88.98802	100.0
89.02438	14.5
96.96967	2.7
105.24367	0.4
125.00055	0.5
132.00813	0.5
134.04718	0.9
152.99565	1.0
169.55388	0.6
177.63144	0.5
211.06738	0.5
277.21631	4.8
278.21954	0.5
346.05554	7.5
431.21841	0.6
485.93411	0.6
502.29285	1.9
546.79480	0.6
606.27081	1.2
607.27496	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.1
61.98829	100.0
66.74956	0.5
71.01379	1.1
71.09199	0.6
72.99305	0.8
74.80621	0.4
78.95911	1.8
79.95735	1.1
80.96516	4.9
94.98103	1.2
114.48963	0.4
133.02921	0.4
148.99106	0.8
152.98555	0.5
152.99638	1.5
161.02417	0.5
163.88443	0.5
164.98679	0.8
191.91656	0.4
224.95213	0.4
225.00768	1.2
291.19769	1.5
607.24542	12.2
607.34491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56051	0.5
61.98823	1.7
68.94436	0.5
71.03824	0.6
72.75397	0.5
78.95901	48.7
87.00879	11.6
88.00404	2.1
96.96959	5.8
115.92059	0.9
116.92861	0.9
125.60685	0.6
140.01180	1.4
150.98001	1.8
152.99579	100.0
153.99908	1.2
165.32857	0.5
171.00609	1.1
178.88332	0.9
179.89200	0.8
196.03740	0.9
196.89503	1.8
214.04849	2.1
279.23257	28.1
280.23599	1.5
282.11011	0.9
326.10062	18.4
344.10632	0.7
433.23654	1.2
476.27908	2.7
546.31750	1.0
606.34100	46.7
607.19806	3.0
607.34552	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	606.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44515	0.4
59.01385	0.9
61.98827	100.0
70.53416	0.4
71.43877	0.8
255.23251	0.5
543.39081	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	607.196
Annotation	Hydnellin B
Peak:m/z	Relative Intensity
52.20507	1.3
53.87880	1.3
61.98816	1.9
71.53227	1.8
78.72889	1.2
78.95901	100.0
83.93105	1.2
94.54777	1.1
96.96940	6.4
99.92601	9.2
100.93343	1.8
109.27404	1.1
115.92072	28.0
116.92085	1.3
116.92841	22.2
144.43791	1.4
150.14755	1.3
150.98033	5.0
152.99580	59.5
153.00838	3.1
153.99899	3.1
157.60414	1.3
161.02414	3.6
171.00642	4.6
172.95450	4.9
178.88457	9.0
179.89195	29.2
180.89993	16.9
196.89455	35.6
205.90761	2.2
206.91550	1.8
208.89520	2.7
235.89622	1.3
235.91754	7.2
236.92580	17.9
252.92018	1.8
270.93088	1.7
271.36920	1.4
278.93628	2.1
279.23242	19.1
280.23596	8.6
299.32928	1.2
309.95416	1.7
326.10028	1.9
342.99191	1.4
382.50525	1.7
433.23584	2.4
476.28177	1.8
499.15546	5.8
507.26971	1.6
516.15723	4.7
559.18036	3.0
571.17938	6.3
589.18774	5.4
606.34222	7.2
607.19788	73.2
607.34283	19.8
608.20001	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2418
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03454	1.2
59.01379	6.9
61.98830	5.9
63.96246	1.1
69.03451	0.6
70.65839	0.5
70.66183	0.8
71.01379	7.9
72.99308	1.0
73.02941	2.7
78.95896	0.9
78.98592	4.3
79.95734	8.2
80.96516	52.8
81.03441	1.0
83.01385	1.3
85.02947	3.0
87.00874	2.1
88.38117	0.4
89.02465	0.8
93.03491	0.8
93.64773	0.3
94.98082	14.0
96.96001	7.9
96.96672	0.4
96.96967	1.1
97.02952	1.3
99.00883	0.7
99.04527	0.5
101.02447	4.8
106.98079	1.4
109.02940	0.5
111.04537	0.4
113.02431	1.1
117.03487	0.6
119.05048	0.6
122.97574	5.0
123.04515	0.8
125.02455	2.6
127.04025	0.9
133.02940	1.1
133.05075	1.3
134.03728	3.9
134.97594	4.2
135.04568	2.8
136.99146	1.2
137.02457	1.5
139.00371	1.3
139.04042	0.5
148.99146	4.7
149.04530	1.4
149.06068	0.8
151.00348	1.0
152.01183	0.7
152.98630	6.3
153.05565	0.5
154.02592	0.4
155.21346	0.4
161.02411	2.6
161.04550	0.5
163.04039	0.9
164.98618	10.4
166.02705	3.0
167.00204	0.6
167.03467	1.1
173.04533	1.3
173.05890	0.4
178.02711	3.3
179.03503	0.8
180.04262	0.8
181.05042	5.2
182.99702	2.1
190.06407	0.5
193.05028	7.3
194.05473	0.9
195.06708	0.6
206.99648	2.6
209.11777	2.0
225.00722	18.0
233.11906	0.7
243.01833	1.4
267.06308	0.5
289.18170	1.2
295.08331	0.7
299.04514	2.8
311.07977	0.6
313.23865	2.1
341.26907	1.8
357.26233	0.5
358.27051	0.5
359.28000	29.3
360.28217	1.4
373.13016	1.0
373.29517	0.6
388.15097	1.2
397.13525	1.2
398.98114	0.4
401.28897	0.7
403.17584	15.5
404.17834	0.8
413.18054	0.9
521.32916	0.7
562.33386	1.9
563.33936	4.7
572.71350	0.5
607.24231	100.0
608.24585	8.8
614.06219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2426
Annotation	Tiliasine
Peak:m/z	Relative Intensity
57.03432	0.4
59.01381	1.9
61.80100	0.3
61.98536	0.6
61.98829	6.8
63.96231	1.1
69.03448	0.4
69.17317	1.3
69.17736	1.7
71.01377	7.7
73.02940	2.0
78.95888	1.0
78.98585	5.7
79.95733	14.1
80.96512	66.4
81.03469	0.8
85.02946	3.3
87.00870	2.6
94.98075	16.3
95.01384	0.7
96.96001	1.3
97.02943	1.5
99.00877	1.0
99.04528	0.5
101.02433	2.6
106.98087	3.2
113.02454	0.5
119.05019	0.4
122.97570	5.9
125.02448	2.6
125.09714	0.3
126.71445	0.3
127.04004	1.1
134.97586	4.6
135.04509	0.3
136.99113	1.5
137.09705	0.3
138.36728	0.3
143.03456	0.4
148.99133	6.1
152.98602	6.3
152.99586	0.4
161.02419	0.4
164.98611	11.3
167.00255	0.7
179.00116	0.4
182.99658	2.3
206.99655	3.3
209.11790	0.7
212.96147	0.3
225.00725	17.9
243.01761	1.7
291.19666	0.8
299.04428	2.7
311.22250	0.9
383.42075	0.3
444.87848	0.3
509.17261	0.4
525.26794	0.5
534.27734	0.6
607.24255	100.0
608.14868	0.6
608.24536	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	607.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47519	1.0
61.98826	2.8
65.03336	1.0
71.15013	2.2
78.10725	1.1
83.81428	1.1
84.54909	1.3
98.20024	1.3
119.27187	1.2
121.16809	1.0
130.90152	1.2
213.96184	1.2
226.20065	1.1
418.21640	1.3
419.22220	1.7
430.21799	1.8
431.22485	14.6
432.22882	4.6
443.22574	1.9
444.23007	3.3
445.24399	8.2
447.25427	5.1
456.19620	2.7
457.19949	2.7
459.17999	4.3
459.26395	5.9
460.22964	25.4
461.23282	2.3
471.21863	10.4
472.15747	1.6
472.22583	29.1
473.23312	2.6
474.20282	11.5
475.20563	5.2
475.24890	21.0
476.25946	2.3
485.23260	1.6
487.25037	84.1
488.25439	9.2
497.07114	1.2
498.20615	2.6
502.20093	21.9
503.20050	2.0
504.24933	4.0
505.25067	1.6
513.22986	7.0
516.21790	2.4
519.23975	7.7
519.27539	9.6
520.24481	1.9
531.23969	100.0
532.24463	11.4
534.22675	4.2
535.26862	2.6
545.25647	4.8
547.23407	3.0
548.24146	12.0
563.26593	21.8
564.26715	2.8
575.23138	2.1
607.25623	21.1
608.25470	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	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.4
57.03438	1.9
58.04638	0.8
59.01380	50.0
61.98822	3.1
71.01389	12.6
71.41354	1.7
72.99287	1.8
73.02946	5.5
83.01404	4.2
85.02946	8.9
87.00874	1.9
89.02436	1.2
95.01397	1.6
96.96023	1.8
97.02920	1.4
99.00880	3.5
101.02443	9.2
109.06668	1.0
113.02444	7.6
116.92850	1.4
119.04995	1.0
121.10239	3.9
123.04517	10.4
125.02394	1.6
125.09714	1.3
129.01938	1.1
134.03708	1.2
135.04539	1.5
141.12869	2.4
153.05579	18.6
154.05832	1.3
159.02919	1.4
161.02423	2.2
161.09613	1.0
171.13913	2.9
181.05075	1.2
195.06593	4.0
200.39197	0.9
201.14949	13.8
209.11736	2.6
341.26733	1.3
345.19101	3.9
357.11713	1.1
359.27994	3.0
363.20047	2.9
463.25314	1.0
485.31061	1.2
503.32242	100.0
504.32596	9.8
521.33319	19.3
522.33594	2.4
563.34058	3.8
607.22552	5.3
608.24945	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.9
58.00577	0.2
59.01376	4.1
61.98830	1.8
66.20064	0.2
69.03425	0.2
69.61667	0.3
69.62070	1.0
71.01389	1.5
73.02946	0.7
78.41797	0.2
79.95712	0.6
80.96519	1.2
83.01391	0.4
85.02943	0.3
86.35194	0.2
89.02406	0.2
96.95982	0.4
101.02427	0.8
103.35922	0.2
110.91280	0.2
111.08132	0.2
113.02439	0.6
114.93383	0.5
125.02415	0.2
127.11272	0.4
133.02968	0.3
133.05066	0.8
135.04541	0.4
141.01712	0.3
148.99173	0.2
150.76009	0.2
155.10796	0.3
161.02477	1.3
173.04523	0.2
179.03506	0.3
199.13353	0.2
209.11784	0.3
225.00700	0.3
270.56232	0.2
295.08255	0.6
295.22729	0.3
309.24435	0.4
311.22235	0.7
311.25977	1.1
313.18036	0.2
313.23807	4.9
314.24167	0.5
327.25446	0.3
334.84924	0.2
341.26950	3.9
342.27338	0.3
357.26709	1.0
358.27072	0.2
359.28000	100.0
360.28345	7.1
373.29584	1.5
397.13754	0.3
401.28900	1.6
402.29425	0.2
443.30231	0.2
465.28275	0.2
516.45081	0.2
525.30273	0.4
534.28650	0.3
547.49664	0.2
563.34406	0.3
607.23981	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	608.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.8
59.01382	42.2
61.98816	2.3
65.36073	0.7
71.01369	2.5
71.52135	0.8
72.99310	1.6
73.48518	0.8
85.02973	1.6
93.03458	1.3
94.06583	0.8
96.96004	0.9
101.02425	2.2
103.00372	1.9
106.06613	5.4
109.02933	1.6
113.02391	1.2
122.06124	4.7
134.06129	24.4
135.04510	3.1
137.02423	1.5
137.57022	0.9
140.29311	0.8
152.07161	4.7
152.46103	0.8
153.01970	1.9
173.04541	2.4
177.01991	0.8
179.03406	0.8
185.30754	0.7
194.08179	1.9
210.12358	1.0
223.08765	0.8
237.06625	1.4
237.10294	1.5
243.22354	0.9
249.06824	1.2
249.10466	1.2
251.08235	3.4
252.08974	1.3
253.09752	3.3
263.08209	1.5
265.06174	3.3
265.09644	3.7
266.06903	6.2
267.07422	1.1
267.11337	1.4
270.11340	0.9
271.02481	1.1
277.06329	1.5
278.06989	5.5
279.07642	3.0
279.11258	1.0
280.08405	2.2
281.09299	31.9
282.09546	1.4
291.07721	0.9
292.08475	1.8
293.09299	25.0
294.09845	3.6
299.02060	0.9
300.02814	1.2
305.09210	1.2
307.10809	7.3
313.11932	8.7
319.54504	0.8
321.08789	0.9
325.11935	2.3
339.09787	0.9
339.13483	2.0
398.10883	1.0
400.16507	3.4
415.67157	0.9
428.16119	6.2
429.16498	0.9
432.19504	1.4
451.39410	0.9
454.13898	1.3
460.18793	7.6
464.25720	2.5
465.27231	1.6
488.18231	26.2
489.18600	2.6
503.32178	2.5
504.17651	5.1
504.32751	2.3
506.26883	1.5
507.28079	1.4
510.94113	0.9
520.20746	6.8
521.20850	1.2
522.18732	3.7
522.33600	1.0
532.17151	11.7
533.17609	0.9
546.18652	2.1
564.19855	100.0
565.20227	12.7
608.29187	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47551	0.6
55.01880	0.7
57.03440	2.5
58.28778	0.6
59.01376	30.2
61.98829	24.8
63.80318	0.6
63.99250	1.9
69.03489	1.1
71.01394	2.0
71.05021	0.6
71.52071	0.7
71.52448	0.7
75.00903	0.6
78.95900	33.1
78.98602	1.8
79.95739	3.6
80.02686	1.4
80.96510	17.1
80.96959	1.1
81.03468	2.2
82.96124	0.7
83.01381	5.4
83.05021	4.1
84.02168	0.7
85.02961	1.3
85.15179	0.6
94.98083	4.5
95.05046	1.3
96.96028	3.2
96.96947	4.0
97.02956	0.7
97.06583	1.8
106.98116	0.8
109.06563	0.9
113.09704	1.0
119.05076	0.8
122.97594	0.8
122.98495	1.1
123.04568	1.4
123.08163	2.9
125.06058	1.2
125.09727	5.4
133.03014	0.7
134.97571	1.5
135.04503	0.8
137.06010	0.6
137.09703	1.5
139.11334	4.4
148.99106	1.0
151.11313	2.0
152.98409	1.1
152.99599	17.4
155.10828	1.0
162.10522	1.0
163.11287	5.5
164.98607	3.4
165.12837	11.1
165.14148	1.0
167.10771	4.7
168.04311	5.3
171.10286	1.8
179.14381	1.4
181.12354	4.3
191.10762	3.3
193.12357	1.1
193.15950	3.2
195.13879	2.1
197.11836	1.0
209.11824	37.7
210.12149	1.4
211.13313	1.2
223.13377	2.8
224.06941	3.4
225.00682	3.1
226.01199	1.0
229.19566	0.9
241.01143	7.7
242.07977	6.5
247.20665	8.5
263.20276	0.6
265.21796	2.4
273.18567	2.6
275.20319	1.2
281.21280	1.3
291.19656	36.0
292.19983	2.0
293.21198	6.5
302.67542	0.7
305.21225	2.0
309.20679	44.2
310.21100	2.7
315.04697	1.0
323.22263	9.9
335.43979	0.7
340.72672	0.7
428.14069	0.8
429.20602	1.4
463.21121	1.1
489.23215	0.7
511.93820	0.7
534.28339	100.0
535.28699	7.7
537.15833	0.8
548.29962	9.2
549.30511	0.7
608.24646	31.5
609.26593	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	608.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.2
59.01377	26.6
61.98829	53.7
62.04418	1.2
63.99239	2.9
71.52682	1.5
78.95901	49.4
79.95727	4.4
80.96513	5.5
81.03452	2.4
83.01379	5.4
83.05020	1.6
94.98093	1.4
95.05003	1.5
96.96027	1.8
96.96952	3.2
99.04515	1.6
100.11678	1.1
101.02476	1.5
109.18310	1.1
119.20610	1.4
122.98516	2.2
123.04510	1.9
123.08179	2.2
125.09715	3.9
135.04483	1.4
137.09711	1.3
139.11292	2.4
151.11249	1.6
152.99580	25.6
161.02420	1.4
163.11247	3.8
165.12849	8.5
167.10806	2.3
168.04282	4.7
171.10187	1.5
181.12294	3.1
191.10727	3.7
193.15962	2.1
209.11803	19.6
211.13330	2.0
223.00166	2.3
223.13239	1.3
224.06898	10.5
225.00902	1.5
241.01166	5.8
242.07980	2.5
247.20662	5.2
265.21695	1.8
273.18478	1.9
275.20053	2.5
276.94217	1.3
291.19672	21.7
292.19952	2.8
293.21262	4.3
300.02618	1.3
303.19592	2.8
309.20691	16.2
315.04617	2.6
323.22235	4.5
534.28345	100.0
535.28949	9.9
548.29865	9.5
608.24347	8.2
609.26483	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	608.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98739	0.6
60.39278	0.7
60.99309	14.3
61.98822	1.1
73.57697	0.7
78.95897	2.9
87.00859	0.8
88.00410	3.5
88.98804	100.0
89.02445	14.2
89.99136	0.7
98.20679	2.9
115.87538	0.7
123.24489	0.7
152.99582	1.6
153.97835	0.7
229.95155	0.9
268.40924	0.6
279.23245	4.8
433.23657	1.2
504.30887	1.4
609.36115	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.8
59.01369	1.5
60.82658	0.4
61.98813	0.8
63.02393	0.8
65.00312	1.4
69.13697	3.3
69.14110	0.6
71.01375	0.8
72.99314	2.4
73.02964	0.4
81.22172	0.4
83.01363	1.2
88.98780	0.8
89.02451	0.8
93.03467	0.9
96.96003	1.4
97.55217	0.4
101.02425	0.8
107.01368	3.0
108.02174	1.8
109.02956	1.8
117.03489	1.0
119.05008	0.8
121.02958	1.9
123.04515	1.0
124.01643	0.4
125.02473	0.8
133.03029	0.7
135.00854	0.9
135.04561	4.4
145.02960	2.2
148.01640	1.5
149.02396	0.6
151.00365	14.0
153.05574	0.7
159.04463	0.9
161.02412	1.7
162.89688	0.4
163.00356	2.7
163.03995	0.5
164.01070	1.1
173.04553	0.4
178.99846	7.7
179.03468	2.4
183.04494	0.7
187.03987	0.6
190.99872	0.8
192.00684	0.5
197.04488	3.4
199.04048	1.1
201.01923	0.4
203.03616	0.6
211.03951	0.8
211.13405	1.7
215.03445	0.7
225.74762	0.4
226.02666	1.3
227.03468	4.2
229.05086	1.0
241.04846	0.5
243.02943	9.8
244.03496	0.6
244.56639	0.4
245.04480	1.1
254.02161	2.0
255.02953	26.9
256.03296	1.5
271.02444	56.6
272.03052	5.3
273.03983	1.3
283.02393	1.1
284.03299	1.1
285.03891	2.7
299.02014	1.2
300.02716	100.0
301.03464	46.1
302.03778	2.0
315.34140	0.4
359.09979	1.0
361.12988	0.4
385.86630	0.4
397.13336	0.8
463.08783	49.6
464.09207	3.6
465.27002	0.9
543.77521	0.5
609.12451	72.9
609.21008	3.5
610.12823	8.2
610.22382	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.0
61.65950	0.3
61.98832	0.3
62.40665	0.3
63.02391	0.5
65.00328	0.7
71.01373	0.7
75.35135	0.2
78.85294	0.3
83.01380	0.8
91.01957	0.3
93.03469	0.4
96.95998	1.1
99.04501	0.3
101.02393	0.5
103.59699	0.3
107.01377	1.3
108.02164	1.2
109.02941	0.6
113.02473	0.3
121.02979	0.5
121.16916	0.3
123.04549	0.3
124.01646	0.4
131.07159	0.3
132.03348	0.3
135.00854	0.6
135.04541	1.4
145.01465	0.4
145.02975	0.4
148.01659	1.5
151.00362	3.5
161.02408	0.4
163.00356	0.8
163.03926	0.3
164.01186	0.4
171.04581	0.3
173.04530	0.6
178.99872	2.8
179.03520	0.4
182.24754	0.3
198.03241	0.4
199.03993	0.5
203.03499	0.6
211.04031	0.3
215.03423	0.7
216.04219	0.3
216.13301	0.3
226.02707	1.2
227.03497	2.4
243.02954	10.3
244.03519	0.8
244.76132	0.3
245.09213	0.3
247.32378	0.3
254.02284	1.6
255.02969	24.1
256.03259	1.3
271.02451	54.0
272.02975	3.9
283.02380	0.3
299.01901	1.7
300.02719	100.0
301.03275	7.5
343.04489	0.5
354.62262	0.3
445.07837	0.6
447.12762	0.6
489.10052	0.5
609.14545	71.1
610.14880	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	609.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02406	0.8
65.00328	1.2
70.32420	1.6
74.52895	0.4
83.01362	0.9
85.37507	0.5
91.01865	0.6
98.19870	0.5
107.01399	2.7
108.02161	1.2
109.02944	0.7
114.11179	0.4
121.02934	1.5
135.00883	0.6
148.01668	1.4
150.99190	0.9
151.00359	11.4
152.01004	0.6
163.00386	2.2
164.01135	0.7
178.99858	5.5
192.00563	0.8
199.03992	0.7
203.03358	0.5
211.03975	1.1
226.02669	1.0
227.03473	3.4
229.04968	0.8
243.02956	10.4
244.03569	1.0
245.04514	0.7
254.02136	1.4
255.02974	24.3
256.03418	1.0
257.04407	0.6
271.02457	50.3
272.03052	3.6
273.04037	0.9
283.02463	1.2
299.02072	0.8
300.02725	88.5
301.03455	31.7
302.03958	1.4
343.04550	0.6
609.14551	100.0
610.14880	12.1
610.24005	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51336	0.2
51.79969	0.2
57.03436	0.8
57.25818	0.2
59.01113	0.3
59.01379	3.8
61.98816	0.7
65.00317	0.3
70.66288	0.6
71.01375	1.1
72.99299	1.9
73.02937	0.7
81.03470	0.6
83.01393	1.1
83.05003	0.2
85.02936	0.6
88.98798	0.3
89.01922	0.2
89.02439	0.6
89.03969	1.9
93.03465	0.6
95.01354	0.3
96.96014	1.3
99.04517	0.5
101.02436	1.4
105.03458	3.5
107.01340	0.6
108.02177	0.4
109.02953	0.7
113.02446	0.6
119.05058	0.3
121.02928	0.6
123.00905	0.2
123.04516	1.2
133.02950	9.3
135.00967	0.3
135.04515	7.2
137.02419	0.7
139.03973	0.3
148.01649	0.3
149.02412	1.0
151.00345	2.9
152.01158	0.3
153.05609	0.5
161.02498	0.5
163.00414	0.5
167.03452	0.4
173.04596	1.1
177.01917	100.0
178.02245	2.7
178.04883	0.3
178.99922	1.2
179.03529	1.8
179.04887	0.3
181.05101	0.3
191.05568	0.4
194.28752	0.2
197.04543	2.5
209.11732	0.4
211.04150	0.2
211.13377	1.4
223.13582	0.2
227.03419	0.5
227.12898	1.2
243.02995	1.7
254.02153	0.4
255.02991	5.1
256.03336	0.5
267.12439	0.3
269.13925	0.4
271.02454	10.0
272.03049	0.7
285.03891	0.3
287.15033	1.4
300.02716	16.9
301.03448	8.2
303.21643	0.3
349.20261	0.5
359.09839	0.9
397.13675	0.6
411.16428	0.3
431.19199	3.8
432.19321	0.3
463.08804	8.1
464.09125	0.8
465.26947	1.5
507.20291	0.3
507.28134	0.7
534.18604	0.5
578.35339	0.2
604.89716	0.3
609.12531	12.3
609.22070	7.2
609.30359	1.1
610.12714	1.4
610.22437	1.0
613.03674	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2679
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
56.12066	0.4
57.03440	2.4
59.01380	1.2
61.98835	2.1
69.18198	2.9
69.18606	0.8
78.91892	1.7
78.95900	47.7
79.95733	1.8
80.96495	3.5
94.98104	1.1
96.95995	0.5
96.96956	8.1
96.97529	0.7
97.06577	0.5
109.06604	0.7
113.09720	10.0
125.02440	0.4
139.11308	0.9
152.99580	59.0
153.99831	0.5
167.10811	2.0
171.00638	2.1
179.10741	1.7
183.13904	1.6
195.13878	1.7
223.00114	6.1
223.13441	1.2
225.00789	1.5
235.16986	0.9
241.01167	19.7
242.01572	0.5
249.22241	1.3
257.23190	0.4
259.02316	1.0
275.20129	1.6
293.21228	37.7
294.21417	2.7
315.04913	8.0
333.06009	0.7
355.83585	0.4
408.68942	0.4
429.20282	0.7
483.15219	0.7
523.18604	1.4
609.26703	100.0
610.27014	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	609.268
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	2.7
59.01366	1.9
61.98832	3.4
69.67560	2.2
71.01353	0.7
78.95901	55.3
79.95744	0.6
80.96504	1.4
95.19009	0.5
96.96956	11.3
99.04522	0.9
101.02421	0.6
109.06582	1.0
113.09724	8.9
116.92796	0.5
134.98569	0.7
135.04514	0.9
135.11833	0.5
135.55890	0.5
139.11223	0.7
150.97952	0.6
152.99580	40.4
167.10762	1.8
171.10335	0.8
177.12775	0.8
179.10770	1.3
183.13776	2.3
185.11667	0.5
195.13947	2.4
211.13441	0.7
223.00069	1.4
223.13455	0.5
226.69519	0.4
241.01176	26.7
249.22162	1.3
267.06613	0.5
275.20178	0.8
293.21216	40.9
294.21521	2.6
315.04880	4.8
349.67273	0.5
369.60281	0.5
429.20416	5.0
609.26746	100.0
610.27026	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	609.2682
Annotation	Scortechinone P
Peak:m/z	Relative Intensity
56.23060	0.3
57.03433	0.6
59.01370	1.0
61.98830	3.1
65.22118	0.3
69.44273	1.1
69.44704	1.4
71.01387	0.9
78.95901	42.8
80.96508	1.7
82.96099	0.9
88.82375	0.3
94.98100	0.7
95.31274	0.3
96.95998	0.5
96.96967	7.9
117.07330	0.3
152.99579	51.2
153.99977	0.5
167.10693	0.5
171.00655	1.1
179.14381	0.6
184.73972	0.3
195.12285	0.7
195.13902	7.1
196.14410	0.5
211.13359	0.4
223.00125	5.6
223.13377	4.8
224.13783	0.5
225.00754	0.5
231.21321	0.5
241.01176	18.6
242.01662	0.6
253.86703	0.5
256.13199	0.4
259.02310	1.2
275.20102	3.3
293.21207	26.9
294.21561	2.1
315.04871	7.4
325.43546	0.4
333.05954	0.6
384.62073	0.4
535.28979	0.9
609.26697	100.0
610.27081	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	609.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08878	1.0
59.01388	1.4
62.31851	1.6
66.60545	1.2
71.53068	2.0
78.95898	4.4
79.74658	1.3
87.00887	2.2
95.05025	33.7
96.96955	1.6
100.02061	1.3
111.76136	1.3
150.02977	1.5
152.99588	5.4
180.45612	1.2
195.13850	10.0
223.13376	6.9
246.12312	12.5
275.20197	4.7
278.11328	64.6
279.11710	2.6
293.21210	100.0
294.21591	5.0
315.19373	32.0
315.25052	1.4
328.93887	1.2
328.98502	1.5
347.30112	1.3
347.69757	1.3
354.60489	1.2
433.24185	1.4
525.99976	1.4
609.41565	16.5
610.42584	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	609.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40948	5.8
56.04711	5.8
61.98833	13.2
62.25465	5.8
71.51904	10.7
78.95885	31.3
80.96512	10.1
101.10175	5.7
109.57713	6.3
115.92059	11.7
116.17010	6.3
116.92822	11.3
152.99574	8.9
179.89177	12.8
188.42432	6.9
196.89415	21.7
253.21690	100.0
262.33823	6.2
421.94955	6.3
455.00229	7.2
609.21149	28.6
609.31976	9.6
610.21545	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	609.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.4
61.98827	0.9
69.23264	0.4
69.49258	0.9
69.49667	1.5
72.93195	0.4
78.95924	3.1
98.20576	1.0
99.92571	0.6
103.45013	0.4
106.48093	0.4
110.44032	0.3
115.92061	1.0
116.92857	0.9
152.99553	0.8
178.88460	0.6
179.89247	1.5
180.89978	0.9
196.89481	1.7
236.92590	1.3
279.23270	100.0
280.23599	5.6
473.22818	0.4
474.23141	0.9
488.25082	0.7
489.25732	2.5
521.25891	0.4
532.24847	0.6
533.24854	3.2
565.26910	0.6
609.20850	3.3
610.21857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61886	0.8
59.01378	37.6
61.50351	0.9
61.98830	1.7
71.22636	2.0
89.02450	1.1
93.03448	0.9
96.95985	1.0
100.21812	1.1
106.06591	5.2
122.06125	7.5
132.04553	6.0
134.06120	41.5
135.06349	1.7
144.04552	2.7
150.05635	1.2
152.07166	5.7
158.02406	3.3
159.73341	1.1
160.04015	4.1
162.05592	2.2
169.12282	3.2
172.04004	2.7
173.04562	1.6
174.05562	1.9
176.03481	3.1
176.07191	1.4
181.38287	0.9
190.03447	1.4
190.05081	13.5
191.05595	1.6
194.08157	2.4
202.04962	1.7
203.05843	1.6
204.06670	1.5
215.11885	2.2
216.06538	1.6
224.09505	2.3
225.30370	1.1
227.11806	1.1
235.08722	2.1
236.09546	1.4
237.10301	1.2
239.08179	1.1
239.11909	8.1
240.10165	1.6
241.09758	1.5
246.07858	1.0
249.10300	2.8
250.10992	1.9
251.11900	6.1
252.12469	1.3
253.06134	3.6
253.09837	1.3
255.11292	1.4
263.08105	2.5
265.09671	2.5
266.10428	1.4
267.07617	4.0
267.11240	1.4
268.08453	3.3
277.09753	3.6
278.10489	1.8
279.07724	2.6
279.11325	5.2
280.08517	2.4
281.09299	2.1
283.10843	35.9
284.11316	1.9
291.07724	1.1
292.08337	1.5
294.10065	3.3
295.10809	14.6
296.11224	1.3
305.09308	3.4
306.10065	2.9
307.10831	3.0
309.09006	1.5
309.12384	5.4
310.09546	1.2
323.10431	4.6
327.09763	1.0
327.13544	1.1
337.11819	4.4
387.16986	1.6
388.17056	1.0
391.05182	1.0
397.14096	2.3
400.13098	1.2
402.17984	3.4
430.17673	21.7
431.17838	1.8
448.18564	2.0
462.20245	6.0
474.16705	1.9
490.19824	37.3
491.20200	2.9
506.19232	3.7
522.22491	7.2
524.20020	1.7
534.18781	100.0
535.19110	9.3
566.21375	70.6
567.21722	7.1
601.66498	1.2
611.25549	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	610.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	0.8
59.01379	26.4
61.98823	2.1
69.28489	1.9
69.28915	3.2
70.80264	0.6
71.01380	1.2
96.96009	2.2
106.06614	4.4
116.92822	0.6
122.06110	6.0
131.03787	0.8
132.04556	2.1
134.06117	26.1
135.04538	2.6
137.02499	0.6
139.11247	1.0
144.04591	0.9
146.06187	1.0
147.03342	0.7
149.02431	1.2
150.05595	1.7
152.07181	3.3
158.02385	0.8
158.06029	0.8
160.04063	2.3
161.02390	1.2
162.05598	1.3
164.04785	0.8
168.06738	1.0
170.43608	0.6
172.04030	0.7
173.04515	1.3
174.05647	1.1
176.03505	2.3
176.07077	0.8
190.05093	3.4
191.05608	0.7
191.17668	0.6
193.01401	1.6
194.08261	1.1
196.43169	0.6
202.05154	0.8
208.03723	3.5
212.16570	0.6
215.11821	1.0
223.06122	7.8
223.08650	1.9
224.09561	2.3
235.08772	2.0
236.09474	2.0
236.62251	0.6
237.10228	1.1
239.11885	8.8
240.10185	1.7
249.10271	3.5
250.07471	0.7
250.11072	2.0
251.11868	4.7
253.06154	2.9
253.09717	1.7
255.07745	0.9
255.11357	1.1
263.08228	2.2
265.09827	1.3
265.13382	1.3
267.07700	2.4
268.08432	2.6
277.09857	3.6
278.10492	1.2
279.07846	1.4
279.11411	2.6
280.08508	1.4
281.09253	2.2
283.10880	27.0
284.03305	1.6
284.11169	1.6
293.09323	1.5
294.10086	2.3
295.10849	8.9
296.11224	1.0
299.05554	3.0
305.09222	2.4
306.10077	2.6
307.10956	3.1
309.08698	1.6
309.12448	2.8
323.10425	1.7
328.14413	0.8
337.11874	2.4
354.12424	0.8
358.19324	1.0
386.18839	1.3
387.16968	1.8
397.13571	0.8
402.18134	2.7
404.16107	0.7
414.14673	0.9
422.93002	0.7
428.16058	1.0
430.17694	21.6
431.17859	1.8
432.56659	0.7
448.18655	1.0
456.15561	0.9
462.20264	1.7
465.26355	0.7
474.16476	2.9
490.19833	27.7
491.20255	2.6
492.17590	1.4
506.19427	1.3
516.17413	1.0
522.22308	1.0
534.18793	100.0
535.19006	10.3
566.21405	13.4
567.21661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.2
59.01379	15.5
61.98833	16.0
62.34372	0.4
63.96264	0.5
69.03457	0.5
70.47073	1.1
70.47403	0.5
71.01367	2.2
73.02917	0.6
78.95902	26.5
78.98582	1.1
79.95743	1.4
80.96515	12.7
83.05032	0.6
85.02967	0.6
87.00846	0.6
88.98769	0.5
94.98110	2.4
96.95992	0.6
96.96960	1.4
98.20531	0.5
99.04494	0.6
99.08151	1.7
101.02432	1.1
106.98057	0.6
113.09718	1.8
122.97616	0.9
122.98506	0.6
125.02444	0.9
125.09735	0.5
127.07584	0.7
127.11298	0.6
128.03481	0.5
129.09259	2.7
133.02957	0.6
135.02966	0.7
135.04526	0.7
139.11292	1.2
143.88367	0.5
145.02859	0.5
148.99144	1.3
151.11325	0.6
152.98610	0.7
152.99602	9.5
153.99939	0.9
161.02451	0.6
163.11189	0.5
164.98601	2.1
165.12808	0.5
167.14464	0.5
168.04309	4.2
169.12315	1.4
171.10278	4.2
173.04509	0.7
179.03447	0.8
181.12341	2.6
183.13889	1.5
193.12299	2.6
197.11853	5.7
199.13441	2.9
209.11884	0.9
211.13376	8.8
212.13745	0.7
224.06871	7.7
225.00778	3.7
227.12988	0.5
235.16844	0.8
236.17207	0.5
241.01138	1.8
242.08075	2.5
249.22264	0.5
275.20071	2.0
276.20490	1.4
293.21219	11.0
294.21475	1.5
311.22275	25.5
312.22577	2.1
315.04648	0.8
443.69785	0.5
465.22781	2.2
491.24084	0.6
536.29919	100.0
537.30255	9.0
550.31409	0.7
551.26086	0.8
610.26593	11.1
611.27344	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03530	1.2
59.00972	0.7
59.01159	5.0
59.01495	15.9
61.98591	2.2
61.98950	7.1
69.16544	3.9
69.16956	1.2
71.01524	1.8
78.95536	2.3
78.96056	10.8
78.98257	0.7
78.98700	1.2
79.95403	1.2
79.95904	2.6
80.96136	3.2
80.96670	14.1
82.96233	0.6
85.02596	0.6
85.03062	1.0
87.00999	0.7
94.97572	1.0
94.98254	3.6
96.96121	0.7
96.97087	0.6
99.08347	2.0
101.02570	1.1
104.71892	0.7
107.46184	0.5
111.08336	0.8
112.47424	0.5
113.09914	2.6
123.08259	0.6
123.68864	0.6
125.02578	1.0
129.09430	4.5
134.97755	1.7
135.04716	1.5
148.99323	1.8
151.11476	1.3
152.98564	1.1
152.99629	5.3
153.13110	0.6
161.02661	1.0
163.11494	0.6
164.98853	3.2
167.14581	0.7
168.04524	3.3
169.12384	3.0
171.10423	1.2
173.04680	1.3
179.03630	1.0
181.12337	4.1
183.14122	1.7
188.91132	0.5
193.12598	1.6
195.14101	0.5
197.10149	0.6
197.11803	9.9
198.12428	0.8
199.13387	6.0
211.13391	14.4
212.13950	0.8
224.07170	1.9
225.00743	4.2
226.01268	1.3
227.12996	0.6
242.07970	3.5
265.21793	1.0
275.20313	1.2
293.21225	11.8
294.21890	0.6
311.22253	56.4
312.22565	3.7
325.23941	1.1
359.44022	0.6
465.22647	4.0
536.29913	100.0
537.30255	8.2
550.31531	1.1
551.26276	1.1
610.26044	32.8
611.26770	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	610.3359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.1
59.01380	19.5
61.98828	10.4
66.40862	0.5
69.03430	0.7
69.72580	1.9
69.72993	1.0
71.01367	1.8
72.08072	0.5
78.95909	12.9
78.96381	0.8
79.95730	1.2
80.96520	6.9
82.96069	0.6
83.05009	0.7
87.00855	0.5
93.03427	0.6
94.98082	1.7
96.96961	0.7
98.20609	1.2
99.08150	2.0
101.02427	0.7
113.09711	1.8
125.02428	0.6
127.07635	0.6
129.09210	3.0
135.04570	0.7
139.11285	1.6
147.66959	0.5
148.99084	0.8
151.11287	0.8
152.99594	3.6
161.02408	1.0
163.11258	0.6
164.98563	0.9
168.04276	2.9
169.12360	1.8
171.10266	5.9
179.05663	0.5
181.12323	2.7
183.13861	2.1
183.17104	0.5
193.12291	2.3
197.11829	6.9
199.13422	3.1
211.11481	0.9
211.13379	12.9
224.06926	1.3
225.00720	1.8
242.08009	4.0
249.22241	0.9
265.21719	1.0
275.20197	1.0
293.21204	15.2
294.21585	0.9
311.22266	55.8
312.22595	2.7
325.23862	1.0
465.22287	3.2
536.29913	100.0
537.30225	6.3
550.31769	0.7
551.26178	1.2
581.24799	0.7
610.25592	8.8
611.27026	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.1
63.18474	0.4
71.01371	4.4
71.51997	0.5
73.02931	0.6
83.01382	1.9
85.02958	1.2
87.00845	1.0
89.02438	3.2
90.22118	0.4
90.32204	0.4
93.03455	1.2
95.01422	0.5
96.95995	1.4
97.36666	0.4
101.02427	2.5
113.02452	2.7
119.03495	1.2
120.45424	0.4
121.02930	3.9
123.04549	1.0
125.02460	0.8
129.01955	0.6
134.03789	0.6
135.04530	3.7
137.02437	5.5
147.04468	0.6
149.02435	22.8
150.03062	0.5
151.04004	1.4
152.01141	5.7
153.05522	1.2
163.03987	4.6
164.01126	0.7
164.04784	16.2
165.01918	42.5
166.02507	1.8
167.03467	1.3
169.05014	2.2
173.04630	0.6
179.03482	7.6
179.05098	0.7
179.05489	0.7
179.07069	6.0
180.04274	27.8
181.04886	1.9
193.01392	13.7
194.01947	0.5
194.05824	1.7
195.02890	1.2
195.06615	36.2
196.07024	1.1
205.05003	0.6
206.05803	1.0
207.13922	1.0
208.03751	32.4
209.04124	0.7
209.11830	1.2
210.05321	7.4
211.06085	1.7
223.06097	100.0
224.06447	3.7
225.07671	43.7
225.14980	1.1
226.08012	1.7
227.12886	7.3
236.04747	0.4
239.07158	0.6
255.02875	0.6
265.07111	2.5
269.13910	1.6
271.02429	1.0
272.02853	0.8
273.02927	1.1
287.14990	3.8
295.05966	0.6
300.02698	2.1
301.03033	2.0
302.03110	2.4
327.08658	1.3
341.10794	2.1
342.11111	0.6
401.12378	7.3
402.12756	0.6
449.14563	24.5
449.20218	1.8
450.14771	1.5
462.13574	0.5
491.15494	0.6
547.64142	0.5
593.24060	0.8
611.15082	4.2
611.25531	18.1
611.35565	0.9
612.25476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47246	0.9
58.94774	1.1
59.01373	18.3
64.42242	0.8
69.90138	3.6
71.01383	4.6
83.01371	1.5
85.02969	1.9
87.00838	1.3
89.02437	2.5
92.88963	1.1
93.03496	2.9
95.01357	2.0
96.95976	1.0
101.02426	2.6
105.01983	0.9
109.02930	2.1
111.00845	1.2
113.02451	4.8
119.71482	1.0
121.02952	9.7
129.38237	1.0
134.03770	1.6
135.04535	6.4
137.02426	7.6
138.03194	3.6
139.03989	1.8
149.02432	45.2
149.06104	1.5
150.03154	1.4
151.00356	2.2
151.03976	2.8
152.01172	7.2
162.03233	1.7
163.04033	9.4
164.04784	34.6
165.01918	49.9
165.05595	1.3
166.02696	18.8
167.03349	1.1
169.05017	2.7
177.05508	1.9
178.99886	1.7
179.03479	10.9
179.07114	9.5
180.04272	32.0
181.05048	29.1
190.02730	2.3
191.03474	1.4
193.01405	22.4
194.05818	3.2
195.06618	43.5
196.07008	1.4
197.67987	1.0
205.05087	1.8
206.05826	3.5
207.02995	2.4
207.13869	2.4
208.03751	48.9
209.04089	2.3
209.11835	1.4
210.05315	8.9
211.06111	30.2
221.08237	2.5
222.05382	3.7
223.06102	100.0
224.06384	3.5
225.05473	1.5
225.07678	24.5
225.14929	1.6
227.03461	1.1
227.12872	10.5
230.74631	1.0
237.07762	1.4
237.98119	1.1
243.03009	2.3
250.04814	1.6
255.02849	3.4
256.03323	3.5
257.03549	3.0
265.07178	16.5
269.13953	2.9
271.02487	7.7
272.02734	6.7
273.03036	7.2
287.15021	13.1
300.02698	13.6
301.03204	15.1
302.03424	15.5
303.03876	5.5
327.08829	1.4
342.10889	1.6
389.17853	2.8
401.12323	4.5
449.14587	82.9
449.20282	15.4
450.14728	5.3
491.15616	4.0
521.67365	1.3
611.15247	36.2
611.25385	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	611.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01379	69.8
61.98807	1.0
65.42801	0.7
69.03418	1.1
69.20723	4.7
69.21140	2.4
71.01379	17.5
72.99271	1.1
73.02938	2.1
76.19002	0.7
83.01391	8.4
85.02952	5.7
85.03379	0.8
87.00862	4.7
89.02439	17.7
95.01354	1.6
96.96031	0.9
99.04524	1.3
101.02442	9.3
111.00878	1.1
113.02446	12.3
119.03522	4.1
123.04544	2.2
131.03471	1.0
135.04459	1.1
137.02419	1.9
143.03484	2.1
149.02403	7.6
152.01115	1.4
153.05537	1.6
161.04549	1.9
163.03954	1.4
164.04813	5.6
165.01930	13.1
165.12828	1.9
166.02635	1.9
179.03485	2.0
179.05576	4.4
179.07129	2.0
180.04277	8.1
181.05096	3.1
185.95007	0.7
191.05635	1.0
193.01430	4.1
195.02951	0.8
195.06633	11.6
207.13895	2.3
208.03760	10.6
209.11838	5.4
210.05278	2.4
211.06065	2.9
223.06094	26.9
224.06482	1.0
225.07681	10.2
225.14911	6.5
227.12874	40.2
228.13083	1.0
251.08760	0.9
251.13017	2.1
265.07147	2.8
269.13870	9.0
287.14972	21.3
293.63513	0.9
323.09772	1.3
329.16013	0.9
341.10809	13.4
383.11697	1.6
389.17966	1.9
401.12164	1.2
449.14410	11.5
449.20282	9.5
450.14725	1.0
593.24591	5.5
611.25531	100.0
612.26007	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	611.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
57.03434	1.6
58.56388	0.6
58.81810	0.5
59.01379	63.5
67.32924	0.5
69.03452	0.8
69.34239	1.4
69.34647	3.0
71.01382	14.7
72.99305	0.5
73.02943	9.2
83.01377	5.2
85.02955	4.1
87.00877	7.2
89.02443	13.2
95.01390	1.0
98.20010	1.8
98.20676	1.0
99.04497	1.9
101.02440	10.1
113.02448	9.3
119.03510	3.1
121.02975	1.5
129.01955	0.8
131.03519	0.8
135.04526	0.7
135.84479	0.5
136.31841	0.6
137.02406	1.3
138.57735	0.5
143.03513	2.0
149.02422	6.1
149.04515	0.5
151.04025	0.6
152.01167	1.3
161.04514	1.5
163.04045	1.1
164.04774	4.8
165.01941	7.8
165.12846	1.2
166.02686	2.7
169.05141	0.7
179.03503	1.7
179.05624	2.4
179.07132	1.5
180.04268	6.3
181.05069	4.8
184.13101	0.5
193.01399	4.2
195.06607	6.6
207.03009	0.9
207.13892	5.8
208.03787	9.1
209.11861	6.2
210.05406	1.4
211.06100	4.9
218.92648	0.6
223.06097	19.7
225.07648	6.1
225.14922	7.5
227.12871	36.9
228.13182	0.9
251.12872	3.6
265.07236	2.9
269.13916	14.9
270.14310	0.9
287.14990	49.7
288.15253	3.1
293.13922	1.7
301.03763	0.7
311.15356	1.0
323.09866	0.9
329.15982	2.3
341.10947	6.3
342.11316	0.9
359.16992	2.5
383.11893	1.9
389.18137	11.5
401.12207	0.9
431.19159	1.8
449.14420	13.6
449.20288	52.3
450.14886	1.1
450.20609	4.5
474.92825	0.5
491.15707	0.8
510.33063	0.6
593.24402	2.0
598.15979	0.6
611.25555	100.0
612.26147	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	611.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57768	0.4
51.71713	0.3
55.42669	0.3
57.03429	0.3
59.01382	1.4
61.98831	5.3
63.96242	0.7
71.01385	6.4
72.99289	0.5
73.02954	1.4
78.95899	2.0
78.98596	4.7
79.95730	7.7
80.96518	48.4
81.03452	1.1
85.02945	2.2
87.00850	1.8
90.69257	0.3
94.98089	11.4
95.01386	0.4
96.96015	0.9
97.02945	1.1
98.09416	0.3
99.00870	0.4
99.04522	0.4
101.02464	2.5
106.98087	2.4
113.02436	0.6
114.41076	0.3
122.97587	4.3
125.02422	2.9
127.03995	1.0
134.97585	3.4
135.04494	0.4
136.99136	1.0
148.99129	4.7
152.98621	5.0
152.99637	1.3
153.99905	0.3
154.99931	0.3
161.02454	0.4
164.98627	9.3
167.00224	0.6
173.04527	0.4
179.03410	0.4
182.99699	1.6
188.98846	0.4
206.99702	2.7
209.11876	0.6
225.00740	17.3
226.00832	0.4
241.01140	0.5
243.01756	1.7
293.21265	0.7
294.21500	0.3
295.22110	0.7
299.04343	3.1
311.22247	0.6
317.05478	0.4
542.79034	0.3
547.86969	0.3
549.36261	0.3
611.27386	100.0
612.27625	9.9
612.37524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.5
59.01370	0.9
61.98833	3.8
68.16684	0.4
70.37075	0.4
71.51383	0.7
73.50143	0.4
78.95901	40.5
80.91673	0.5
87.81638	0.4
96.96961	6.8
110.57698	0.4
113.09724	1.5
125.26875	0.4
136.92296	0.3
150.98070	0.7
152.99582	48.4
153.99963	1.0
171.00624	1.2
181.84508	0.4
195.13904	14.7
196.14186	0.5
210.84416	0.4
223.00140	5.5
241.01170	17.1
259.02188	1.6
261.05856	0.4
277.21716	12.1
278.22009	0.7
293.21078	0.6
293.60840	0.4
295.22757	43.3
296.23059	3.0
315.04904	6.9
333.05856	0.9
344.14600	0.4
436.49066	0.4
444.24014	0.4
611.28308	100.0
612.28625	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	611.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01377	0.8
60.52305	0.4
61.98825	5.4
69.34720	2.4
77.28406	0.3
78.95901	51.2
96.96963	10.9
101.32291	0.3
113.09711	1.6
134.98549	0.6
150.77170	0.4
150.97993	0.8
152.99582	40.1
171.00723	0.4
171.10274	1.6
179.14297	0.4
182.02226	0.4
193.53011	0.3
195.13898	12.8
196.14145	0.4
209.11829	0.4
223.00095	1.7
241.01178	26.4
242.01477	0.5
259.02197	0.4
277.21701	12.3
278.22046	0.9
295.22769	34.9
296.23087	2.2
315.04822	5.1
333.05759	0.6
381.37827	0.3
431.21991	4.0
449.22894	0.7
463.43091	0.4
513.06946	0.4
591.94702	0.5
611.28290	100.0
612.28644	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	611.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78803	0.8
59.01392	1.9
61.98822	2.1
69.95878	3.6
71.69658	0.8
78.95901	52.6
96.96960	8.9
113.09707	1.7
117.30540	0.8
125.10630	0.9
139.69875	0.8
152.99586	73.2
161.02419	1.0
171.00577	2.0
183.13898	2.8
195.13864	10.1
223.00133	8.5
241.01186	20.2
242.01575	0.9
277.21689	10.8
295.22763	19.9
296.23184	1.8
315.04843	10.0
317.21317	1.4
417.61227	1.0
611.28357	100.0
612.28680	10.6
612.37671	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85218	1.9
59.01368	4.6
61.98823	3.8
67.28427	1.9
70.01031	9.5
96.95969	2.5
135.04543	3.2
148.01598	2.6
151.00352	9.0
163.00346	2.2
178.99826	2.8
222.02574	2.2
243.02867	5.9
255.02953	21.7
270.99753	3.7
271.02472	39.1
299.01855	2.5
300.02759	82.0
301.03442	30.0
323.13342	2.1
338.37546	2.4
358.64026	2.1
386.45062	2.4
505.09866	100.0
506.09949	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	613.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	48.7
61.98825	5.6
66.05063	1.7
71.01397	2.6
71.05063	3.1
71.05405	3.2
82.34751	1.8
96.96006	2.9
98.41404	1.7
99.04514	7.0
103.00346	5.5
115.04024	6.7
117.05558	4.6
123.00851	2.0
143.07104	2.9
161.08191	100.0
179.44850	1.8
203.09209	19.3
223.69156	2.1
460.48672	2.0
494.83801	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	616.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94662	0.1
54.49089	0.1
59.55828	0.1
61.98827	100.0
66.24294	0.1
66.60776	0.1
69.03454	0.2
71.04999	0.1
71.26957	0.1
72.59369	0.1
90.46544	0.1
123.08096	0.1
125.09708	0.1
151.11227	0.2
161.09744	0.4
178.03882	0.1
179.10800	0.5
197.11801	1.9
229.63361	0.1
241.10846	0.4
255.23254	2.1
256.23779	0.2
297.13531	0.2
315.14514	0.2
553.37433	6.6
554.37646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2597
Annotation	azadirachtin I
Peak:m/z	Relative Intensity
54.95852	0.4
57.03443	0.7
59.01374	4.1
61.98813	1.7
67.76158	0.4
70.71270	1.4
71.01385	2.2
72.99304	1.1
73.02949	0.8
81.03455	1.2
83.05032	0.8
85.02946	2.0
88.98793	0.7
89.02420	0.8
93.03461	2.7
95.01385	1.5
96.96003	2.5
99.04511	0.6
101.02416	1.0
108.02171	54.0
109.02966	24.0
110.03279	0.5
112.11543	0.5
115.92060	0.9
116.92839	1.3
119.05032	1.0
121.02950	1.5
123.00883	2.3
123.04535	2.3
127.11308	0.5
133.02956	1.4
134.03761	0.5
135.04523	4.7
137.02464	1.5
139.04016	2.1
145.02942	0.8
151.03964	1.1
152.01146	56.1
153.01936	14.7
153.05528	2.1
153.50116	0.5
159.04430	0.6
161.02383	2.0
163.04018	1.8
165.01897	1.0
171.10245	12.8
172.10651	0.5
173.04530	3.6
177.01938	0.6
178.02722	0.6
179.03462	1.7
179.05626	0.5
181.05074	0.7
191.05801	0.6
204.07405	0.6
209.11819	12.1
212.70288	0.5
227.12849	2.0
253.09157	1.1
289.18088	25.3
290.18475	1.2
293.04379	0.7
303.19424	0.7
309.20786	0.8
319.19058	0.9
354.08969	0.5
369.22827	1.0
444.07007	0.5
574.31708	0.6
587.25012	7.7
588.24750	1.0
617.25970	100.0
618.26306	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	618.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56034	0.4
61.98830	100.0
69.64342	2.1
87.96703	0.4
93.27406	0.4
98.20187	1.2
99.00922	1.0
100.34427	0.5
152.13861	0.4
163.11426	0.4
181.12379	0.5
187.48491	0.4
199.13419	1.2
207.10358	0.9
225.11311	2.3
255.23257	3.1
295.17029	0.4
435.95706	0.5
555.38977	9.8
555.46893	0.6
556.39514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.99261	2.0
69.14809	1.8
69.15228	1.0
72.83153	0.3
73.52374	0.3
86.73211	0.2
152.99648	0.3
153.24176	0.3
256.23874	0.3
555.38446	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01444	0.3
50.81955	0.3
58.00564	0.3
59.01377	8.9
66.06329	0.3
71.01009	0.5
71.01380	6.2
72.99283	0.6
73.02941	1.3
79.05547	0.6
81.07095	3.4
83.01383	0.8
83.05025	1.2
85.02944	1.3
89.02441	5.6
93.03440	0.5
94.04250	0.9
95.05029	0.8
96.96001	0.9
98.20773	0.5
101.02451	2.9
109.06596	6.6
113.02452	2.5
119.03500	1.8
121.02945	0.6
123.04528	19.6
124.04899	0.5
125.02429	0.4
125.06072	0.4
127.07658	13.5
128.08052	0.3
131.03479	0.3
135.04514	0.6
138.03230	7.1
143.03496	0.7
149.02406	0.4
153.05576	100.0
154.05907	2.7
161.04565	1.5
171.06631	11.7
179.05630	2.1
202.47566	0.3
283.06122	0.3
285.09610	0.5
294.92490	0.3
351.12802	0.4
371.11331	0.6
393.34927	0.3
439.16064	54.7
440.16360	5.1
611.34528	0.4
619.22333	5.5
620.22729	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.98833	8.7
64.35355	1.4
65.54115	1.7
71.52521	1.4
76.60809	1.4
78.95916	1.7
98.85587	1.4
108.03440	1.4
128.86609	1.5
152.99570	1.4
253.82700	1.3
264.07922	1.7
273.88760	1.4
286.07516	1.4
302.39661	1.4
351.35309	1.8
401.14249	2.6
415.15344	2.4
416.16354	13.2
417.17108	2.3
429.17517	2.6
430.17764	3.2
431.18829	1.7
444.15982	2.1
459.18210	99.8
460.18759	11.7
471.02728	1.7
471.19260	1.4
473.19693	15.5
474.20358	6.6
494.28790	1.4
501.19601	3.2
503.17078	3.8
518.19495	45.4
519.19690	6.3
532.21124	9.1
533.21881	92.6
534.22235	9.6
549.50104	1.5
567.22607	1.6
587.22571	7.8
594.03369	1.5
619.25586	100.0
620.25842	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	619.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75307	0.8
59.01371	2.3
59.97401	0.8
60.99303	18.5
61.98829	3.1
69.44885	6.2
72.99287	0.9
78.95889	1.2
87.00879	1.2
88.00394	3.8
88.98803	100.0
89.02439	14.3
96.96019	0.9
116.92840	1.5
133.02927	2.0
135.04498	1.7
137.60010	0.9
161.02394	3.3
179.03429	1.1
187.07602	1.3
211.13383	1.0
213.09178	1.4
257.08163	1.3
291.19449	1.2
310.04593	2.7
311.05444	1.2
323.21994	1.2
457.22214	1.0
536.27075	1.0
572.55640	0.9
619.25043	1.3
620.37604	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
60.99305	16.7
61.98814	2.3
70.31568	1.6
71.01370	0.9
75.13059	0.6
78.95913	0.5
87.00888	1.2
88.00397	4.1
88.98804	100.0
89.02442	17.4
89.99130	0.6
98.20061	0.7
116.33643	0.6
123.52942	0.5
133.03029	0.6
135.04549	0.9
139.14728	0.6
152.01126	0.9
157.65817	0.5
157.87662	0.6
161.02414	1.8
171.10278	0.6
179.03403	0.6
187.07623	0.9
193.05106	0.6
227.03481	3.4
237.05591	1.2
257.08115	0.7
265.05081	0.5
267.06790	0.8
281.04343	2.5
309.03928	1.5
310.04883	4.6
311.05545	2.5
436.99567	0.5
492.06528	0.5
619.26483	2.0
620.34363	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01011	0.4
50.11257	0.4
55.01865	0.6
57.03431	1.3
59.01378	19.9
61.82693	0.4
68.67787	0.5
69.03472	0.6
69.28577	0.9
69.28983	3.1
71.01381	4.6
72.48924	0.4
72.68639	0.4
72.99293	0.5
73.02946	2.5
83.01376	1.2
85.02943	3.5
86.00092	0.5
87.04514	0.7
96.95979	0.9
97.06583	1.1
97.76458	0.4
99.00852	0.5
101.02440	4.8
108.02192	1.0
109.02957	1.0
110.68707	0.5
111.00903	0.6
113.02452	2.1
116.92841	1.3
123.08174	0.7
125.09694	1.2
133.02948	0.5
135.04536	0.7
135.84001	0.4
137.09718	0.6
138.91231	0.4
139.04010	0.9
139.11270	2.0
151.11191	0.5
152.01157	0.9
157.12300	0.7
161.02379	0.6
169.12308	1.6
171.13884	0.5
173.04472	0.6
177.98486	0.5
179.03459	0.9
185.11842	7.7
198.12672	0.5
214.12062	1.4
215.12849	0.9
227.16287	0.5
241.14597	0.7
243.16023	1.8
311.22366	0.5
327.25122	0.8
341.23303	4.9
353.23303	5.2
371.24344	100.0
372.24756	6.6
385.26273	0.8
413.25327	1.8
489.30539	0.9
533.29779	0.7
575.30701	40.7
576.30853	4.5
619.17462	0.8
619.28033	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	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10861	0.5
55.01871	0.8
57.03437	1.2
58.00590	0.6
59.01377	28.8
64.49785	0.6
69.03430	0.6
69.66674	1.4
69.67107	2.1
71.01379	8.8
72.99294	1.0
73.02934	4.9
76.59164	0.5
83.01369	2.2
85.02943	4.8
87.00875	1.0
87.04494	0.9
89.02445	1.2
95.01373	0.9
97.06618	0.5
99.00873	1.6
101.02437	8.0
109.02932	0.6
111.00861	0.8
113.02420	2.0
125.02448	0.8
125.09680	0.9
133.02922	0.6
135.04494	1.6
139.11267	1.4
157.12370	1.5
161.02408	2.4
161.04529	0.6
167.10738	0.5
169.12312	1.8
179.03499	1.1
185.11815	8.2
186.12436	0.6
214.12093	1.7
215.12717	1.2
241.14336	0.5
243.15919	1.7
307.08234	2.0
309.24420	0.7
326.44016	0.6
341.23431	3.8
353.23383	4.2
355.24838	2.5
371.24344	48.8
372.24780	3.4
413.25452	0.8
515.28345	1.5
533.29755	5.1
545.29022	0.7
575.30688	100.0
576.31104	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39425	0.7
57.03438	2.4
59.01382	20.2
61.98830	2.0
69.66511	2.8
71.01382	10.0
71.87514	0.7
72.99306	2.2
73.02950	5.0
78.95911	0.9
81.03448	1.0
83.01408	1.9
83.05017	0.9
85.02950	3.2
85.58928	0.7
85.77799	0.8
87.00868	2.6
89.02441	3.5
93.03460	0.9
93.56925	0.7
95.05054	0.9
96.95987	4.3
97.06571	2.6
99.00921	0.7
101.02437	6.5
108.02183	2.6
109.02956	2.5
109.06622	0.9
111.08095	0.9
113.02431	2.8
119.05076	0.8
123.04517	0.9
123.08178	2.4
125.02464	1.0
125.09615	0.8
135.04492	4.3
137.02489	0.9
139.11261	1.9
152.01157	2.5
161.02414	3.9
161.04565	1.0
163.04027	1.0
167.07115	1.0
171.10202	1.8
173.04532	1.0
177.01808	0.9
179.03482	4.2
185.11824	8.4
189.33846	0.8
209.11801	1.7
213.11438	0.9
214.12111	1.4
215.12621	0.9
221.78897	0.8
227.12907	0.8
243.15970	2.3
293.21289	1.0
311.22217	4.8
323.22318	1.2
327.21793	1.3
341.23404	1.8
353.23273	7.2
371.24371	39.5
372.24731	2.4
389.06418	0.7
515.28625	5.4
533.29620	10.8
575.30695	100.0
576.30988	11.4
619.26672	6.5
623.44855	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.4
59.01114	1.8
59.01381	24.4
60.99292	1.4
61.98822	6.0
67.92354	1.0
71.01389	4.9
71.52230	1.3
72.99302	1.8
73.02926	4.6
83.01374	1.6
85.02938	1.4
88.98811	5.9
89.02477	1.1
93.03446	2.0
96.95982	5.9
97.06572	1.0
99.04495	1.9
99.92575	1.3
101.02415	3.6
109.02939	1.3
113.02442	1.4
115.92057	2.2
116.92847	2.0
123.04502	1.6
125.02386	1.3
126.90434	4.4
133.02948	2.4
135.04556	6.8
153.12807	1.8
155.10733	2.9
161.02420	6.9
171.10223	3.2
173.04451	1.9
179.03566	6.2
201.11234	1.6
209.11815	1.6
239.41628	1.0
251.16470	3.8
293.21289	6.3
309.24332	18.3
311.05478	1.3
311.22266	99.1
312.22519	4.1
313.20297	1.5
328.01947	1.1
335.22238	2.3
346.59924	1.2
353.23239	2.8
355.24622	1.6
369.22818	1.6
370.23203	1.2
371.24335	100.0
372.24619	9.1
413.25546	1.6
475.28799	2.1
515.32092	6.9
533.33136	1.4
557.26276	1.2
575.30695	29.7
576.30829	3.0
619.29584	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31531	0.5
52.47354	0.4
57.03435	1.3
59.01372	0.4
61.98824	3.3
64.36663	0.4
71.52448	0.4
72.99303	0.6
75.64119	0.4
78.95914	0.7
85.05879	0.4
91.21181	0.4
111.08167	0.6
121.02991	0.8
123.08176	0.6
130.05214	0.4
132.02168	0.5
133.02963	7.1
137.09752	2.4
149.09682	0.5
161.01128	0.8
161.02435	12.7
168.13934	1.0
171.10318	0.6
172.05272	1.3
173.06067	0.4
174.01773	0.6
174.03212	8.9
175.03957	0.8
187.07527	0.6
197.06032	0.5
197.11850	1.6
198.12138	0.7
199.04051	0.6
204.04175	0.5
205.59929	0.4
215.12843	1.6
241.12291	0.9
243.10207	3.1
253.15871	1.3
255.17451	4.6
257.08240	0.5
258.08536	0.7
269.19064	2.9
271.20654	23.8
272.20963	1.5
277.04800	0.4
303.19614	1.5
304.19650	1.4
309.20798	1.8
310.20959	1.8
315.19611	100.0
316.19910	7.0
369.48029	0.4
372.15652	1.2
417.22952	1.5
441.22855	2.7
459.23849	12.3
532.86261	0.5
549.10474	0.5
621.27106	1.4
639.37805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4012
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59494	1.0
53.49786	1.0
60.75758	0.9
61.98829	100.0
64.86341	1.0
67.88519	1.0
69.89462	3.3
71.48921	1.1
72.75321	1.0
78.95902	1.3
82.02232	1.1
82.18755	1.0
101.47192	1.1
289.17801	1.0
299.07852	1.0
307.18878	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	620.401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00682	0.4
61.98828	100.0
63.33448	0.5
66.92268	0.4
107.06378	0.4
113.04530	0.4
129.55856	0.4
144.89986	0.5
145.53023	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49249	0.9
59.01360	0.9
61.98816	2.6
67.62233	1.0
69.13612	5.4
69.14040	2.6
75.26399	0.9
98.19923	1.4
105.03426	1.1
109.02947	0.9
132.02139	2.6
133.02954	47.1
134.03235	1.0
135.04520	3.0
137.09717	1.1
146.03708	2.4
147.04485	2.2
148.05226	1.3
149.02448	1.7
149.06146	1.1
159.04486	2.4
161.02432	100.0
162.02768	3.0
171.10295	2.5
172.05319	8.0
173.05843	1.4
174.03206	65.0
175.03984	5.6
179.03461	1.0
186.06798	0.9
197.05980	1.3
197.11794	1.1
199.03955	2.3
200.04826	1.3
204.04193	2.7
213.11308	1.3
215.10899	1.7
215.12833	12.1
225.09207	1.1
227.10786	1.9
239.10634	0.9
241.12363	6.7
243.10252	21.1
245.11775	1.2
255.17392	2.0
269.11826	1.5
271.20605	7.7
272.20908	4.3
292.07385	2.2
310.04791	1.1
315.19620	34.0
316.19974	14.2
348.15750	1.5
354.15201	0.8
372.15802	5.9
390.16278	1.0
415.20871	1.0
417.22784	11.1
423.21677	1.3
441.22787	21.4
442.23199	2.0
459.23837	81.1
460.24158	8.1
577.27954	2.1
621.26678	11.8
641.89972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07207	0.7
57.03424	1.9
59.01379	9.3
61.98816	3.2
65.80441	0.8
69.05141	0.7
71.01360	2.8
71.12122	0.7
71.12464	0.9
72.81420	0.8
72.99307	0.8
73.02940	2.1
83.01411	1.0
85.02941	1.4
89.02428	2.0
96.96016	1.1
99.04514	0.8
101.02436	1.4
109.97509	0.7
113.02406	1.6
121.02900	0.7
123.04503	0.8
125.02477	1.0
125.09684	0.7
133.10196	0.9
135.04501	1.7
139.11296	1.0
140.13782	0.8
161.02443	1.3
163.09019	0.7
173.04550	0.9
177.01866	0.8
179.03445	1.5
185.11827	3.8
235.99158	0.7
283.22839	0.7
295.22809	1.4
311.22198	2.0
313.23834	18.0
314.24094	1.0
325.23865	9.2
327.25235	1.4
329.23349	3.8
337.23822	2.5
343.24649	2.3
353.23889	0.7
355.24915	12.9
373.25903	100.0
374.26163	6.9
405.34824	0.7
415.26935	1.3
517.29120	0.9
531.48737	0.8
535.30017	1.0
577.31622	10.6
621.22906	1.0
621.33539	1.2
644.33124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16452	0.3
57.03431	0.5
59.01378	1.7
69.03431	0.2
70.37092	0.3
70.37447	0.9
71.01361	0.4
73.02927	0.7
82.48259	0.3
83.05026	0.4
87.04502	0.5
97.06548	0.5
98.20585	0.3
101.02421	0.8
104.80975	0.3
121.10226	0.7
123.08162	0.8
125.09708	0.4
139.11261	1.1
141.09203	0.7
141.12865	0.4
151.11310	0.4
155.10815	0.3
157.12302	1.1
157.96671	0.2
169.12309	0.8
185.11836	4.0
213.11372	0.3
214.12112	0.5
215.12836	4.8
222.59372	0.3
229.14343	0.7
313.24008	0.6
325.23849	0.7
336.99829	0.3
337.23798	0.6
343.24814	4.5
344.25107	0.4
355.24875	4.9
356.25223	0.5
371.24359	1.0
373.25903	100.0
374.26260	8.0
387.27457	1.0
387.93597	0.3
415.26996	1.8
457.28061	0.4
516.77148	0.3
577.31873	0.4
606.04901	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39473	0.5
57.03447	26.4
58.00585	0.6
59.01378	9.5
60.04193	0.6
61.98829	10.1
71.01376	4.0
71.52273	0.7
72.99305	0.9
73.02934	1.8
75.00864	1.7
75.77988	0.5
78.95887	1.4
81.03457	0.8
83.01383	1.0
83.35091	0.6
85.02930	0.8
86.91234	0.5
87.00874	0.6
89.02443	1.2
96.96011	4.9
99.00813	0.6
99.04515	15.9
101.02439	7.8
113.02448	1.5
116.92876	0.8
119.03500	0.6
123.04484	0.8
125.02448	12.9
133.02950	0.7
135.04543	2.1
143.03493	1.3
161.02432	2.0
161.04530	3.0
171.10316	3.2
173.04494	0.9
179.03432	1.6
209.11867	4.4
215.33498	0.7
293.88376	0.6
297.24344	1.7
299.25946	1.1
305.08707	4.2
313.23798	1.8
315.25369	100.0
316.25668	6.5
329.27026	4.1
357.26450	4.2
358.45895	0.5
459.29718	1.9
477.30670	21.4
478.30914	1.7
519.31659	7.6
559.34790	2.2
609.44116	0.7
621.24481	0.9
621.34790	14.9
622.34924	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	621.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	1.4
61.98826	9.6
62.59547	1.3
68.13616	1.5
71.14388	1.5
71.14720	2.5
79.88033	1.5
80.66254	1.2
82.11357	1.3
123.04504	3.6
123.08163	5.3
124.91305	1.3
130.00549	1.6
134.60310	1.5
138.16254	1.4
139.11301	2.7
144.93526	1.4
151.11339	2.7
152.03503	1.3
191.14560	1.4
199.13394	15.9
208.19289	1.4
233.15520	1.6
245.19023	7.4
263.19815	1.5
277.21741	16.9
289.18079	61.7
290.18555	3.2
307.19135	100.0
308.19391	5.1
459.62180	1.6
471.54218	1.4
471.70541	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	622.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.7
59.01373	53.7
60.99305	2.1
61.98825	100.0
69.21488	5.4
69.21900	14.1
71.01379	8.5
71.60675	2.0
72.99304	3.2
73.02943	3.3
80.05043	4.2
80.96522	5.2
83.01394	2.6
85.02969	5.4
85.74654	1.9
86.88490	2.0
88.98810	11.8
93.03460	3.1
96.96020	4.0
99.31994	1.9
101.02438	6.3
104.03783	1.9
104.05061	2.4
106.06622	6.7
108.02149	2.8
108.04551	2.3
109.02964	2.8
117.03454	3.1
119.05032	2.5
122.06042	2.4
123.04516	3.9
133.02933	2.6
134.06123	24.7
135.04532	6.0
136.07689	4.9
145.02962	10.0
146.06067	3.2
149.02440	3.4
149.18657	2.0
151.00360	3.8
152.01176	4.3
153.05481	2.8
161.02388	5.1
163.03975	2.5
167.03438	6.8
171.10320	3.2
173.04507	2.7
179.03554	2.9
180.06683	7.7
185.11798	4.9
186.12207	3.4
188.07127	14.9
210.93710	2.1
225.10345	3.3
226.11269	2.2
227.03433	6.2
227.11969	5.4
237.10301	2.3
243.02939	12.1
251.08052	2.2
253.09724	7.5
255.02933	8.8
265.09698	4.1
267.06616	2.9
267.11331	3.0
270.01797	2.7
271.02505	12.9
277.09802	5.4
279.07416	2.3
279.11349	4.0
285.03973	4.5
293.09512	3.7
295.10724	22.8
299.01941	16.9
300.02667	13.9
305.09128	3.9
307.10931	18.8
311.05692	9.3
314.04385	15.9
315.05109	29.0
355.25085	3.0
356.25000	5.0
357.26266	3.5
372.17188	2.8
373.25909	43.1
374.26236	66.9
375.27460	29.4
389.28726	2.4
400.16736	3.4
414.18085	4.2
416.27359	3.6
442.17630	21.7
460.18616	2.9
486.16580	6.3
502.19797	71.7
503.19839	6.8
537.32550	4.3
546.18811	83.6
547.19116	8.9
578.21460	14.1
578.32434	18.0
579.33783	23.1
622.11444	2.9
623.14142	48.7
623.23975	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	623.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.1
59.01374	4.9
60.99296	6.7
61.98796	1.2
71.51437	1.3
72.99301	2.0
73.02979	1.1
80.96564	1.1
88.98801	21.9
93.03442	1.4
96.96022	3.7
101.02424	1.2
107.01351	1.6
108.02119	1.2
109.02959	2.3
113.02496	1.4
116.92878	4.2
119.05089	1.7
131.04959	1.3
133.02956	1.6
135.04552	4.4
148.90880	1.2
154.50179	1.0
161.02467	2.0
163.00313	1.4
173.04543	2.2
177.01921	1.6
178.49002	1.2
179.03539	2.3
185.06108	1.4
187.04001	1.4
191.05560	4.0
207.10193	1.7
211.04007	1.9
213.05574	1.4
225.11343	2.1
227.03503	17.7
229.05069	6.6
255.02980	45.2
256.03580	4.6
257.04501	4.3
284.03253	72.4
285.04022	79.7
286.04462	3.7
489.10382	100.0
490.10535	8.3
496.37799	1.2
623.24994	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	623.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.4
59.01376	6.0
61.98829	2.1
69.03470	0.7
71.01394	2.0
71.52481	0.5
71.88152	0.3
72.99281	0.3
73.02946	1.5
79.95728	4.1
80.96519	3.1
85.02962	0.8
87.00874	0.5
87.04517	1.7
88.98814	0.7
93.03483	0.4
94.98097	0.8
96.96004	1.0
97.06571	0.8
97.49015	0.3
99.04508	0.5
101.02459	2.0
109.02968	0.6
109.06577	0.6
113.02465	1.0
119.03406	0.4
119.05022	1.1
123.08160	0.8
125.02415	1.3
125.09720	0.6
133.02995	0.4
134.06148	2.5
135.04529	1.5
137.09677	0.4
138.06944	0.4
139.04094	0.4
139.11310	0.7
141.09193	0.7
141.12848	0.5
147.29549	0.3
149.02536	0.5
150.05684	0.3
153.09164	0.8
153.41357	0.3
157.12375	0.6
161.02411	1.4
161.04469	0.5
163.04016	1.0
164.98596	0.5
169.12350	1.0
173.11760	0.7
178.05067	1.1
179.03525	0.8
181.12347	0.9
183.13893	2.6
185.11781	2.6
189.41969	0.3
199.13383	1.2
209.11813	0.7
215.12860	0.6
224.70117	0.3
225.00648	0.9
227.03609	0.3
228.13704	0.5
229.14502	0.3
236.55032	0.3
239.07169	0.4
249.05408	0.4
253.09190	0.8
267.06693	0.9
305.09018	0.4
309.03711	0.3
311.05591	3.0
311.22223	0.5
327.21640	0.9
327.25150	0.5
329.23322	1.5
337.12021	0.5
340.91068	0.4
357.26434	13.9
358.26791	1.0
359.28165	0.4
373.25851	0.9
375.27481	100.0
376.27811	8.1
387.27487	1.0
389.29074	6.5
390.29593	0.5
397.14026	0.6
417.28546	6.7
418.28824	0.8
441.14587	0.5
459.29611	1.7
461.31357	0.4
484.14557	0.6
497.17023	0.5
526.17529	0.7
579.33502	1.5
623.10419	1.5
623.23828	6.8
624.10962	0.4
624.24078	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	623.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.8
59.01366	1.7
61.98827	3.6
69.57315	2.8
71.01356	0.6
73.02924	0.8
80.96494	0.5
87.04498	1.3
87.66564	0.4
100.20915	0.4
100.99479	0.4
123.08151	0.9
139.11288	0.8
144.12198	0.4
153.09189	0.6
157.12326	1.3
158.28461	0.5
167.67235	0.4
169.12352	0.8
185.11823	1.9
213.13892	0.4
215.12811	1.2
327.25275	0.5
329.23340	2.0
339.25381	0.7
357.26404	5.6
358.26837	0.8
373.25964	2.9
374.26575	0.7
375.27493	100.0
376.27863	7.8
389.29169	1.6
417.28403	2.2
623.23578	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86769	0.2
59.01362	0.6
69.84772	0.5
69.85166	0.5
71.01387	0.6
72.24699	0.2
72.66100	0.2
80.77046	0.2
82.04113	0.7
89.02435	0.4
98.20618	0.3
101.02430	0.3
107.03626	2.4
108.02034	4.6
126.03091	2.5
130.08737	0.7
133.01559	20.4
144.69769	0.2
150.04208	100.0
151.02701	0.5
151.04678	1.5
185.76294	0.2
212.36536	0.3
282.08429	80.5
283.08704	3.4
341.07065	0.3
341.10901	1.5
355.71921	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2501
Annotation	Acanthosulfate
Peak:m/z	Relative Intensity
50.37303	0.5
57.03444	1.3
59.01380	24.5
60.99302	0.9
61.98823	3.5
69.03486	0.5
69.21870	5.3
71.01379	4.6
72.99312	1.1
73.02943	7.2
75.47625	0.6
79.95729	1.5
80.96510	6.2
83.01384	7.0
85.02963	1.2
88.98807	7.3
89.02459	1.0
93.03471	1.1
94.98073	1.8
96.96021	1.2
97.06644	0.8
99.04533	2.5
101.02435	5.6
109.02940	1.0
113.02460	1.9
119.03406	0.6
121.02972	1.5
125.02438	1.3
133.02953	2.5
134.03735	58.1
134.97514	0.7
135.04121	2.0
137.02440	10.6
139.04051	3.4
148.99185	0.8
149.06078	18.7
149.07272	1.1
149.09689	0.6
150.03241	0.9
152.98601	0.9
157.12297	0.7
161.04552	0.7
164.98602	1.3
165.13007	0.7
167.10765	2.1
173.04501	0.9
178.02708	41.5
179.03285	2.4
193.05040	100.0
194.05344	3.7
203.03639	0.7
207.13876	0.8
209.11755	3.1
225.00685	1.8
225.14986	2.6
227.12869	14.4
228.13170	0.8
230.47411	0.6
233.11739	1.6
245.30246	0.6
251.12898	1.5
269.13950	5.3
287.14990	11.9
287.18198	0.8
293.13889	0.7
301.20233	0.9
301.76511	0.6
311.14969	1.1
329.16147	1.5
337.09229	0.7
371.16849	1.1
375.27774	1.0
397.11230	0.9
413.17972	1.1
427.21683	0.6
431.19150	10.9
432.19647	1.0
607.23871	2.9
625.24915	51.3
626.25140	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2632
Annotation	Hanburinone
Peak:m/z	Relative Intensity
50.42394	0.9
57.03452	5.5
59.01381	9.6
61.98827	29.0
62.98526	1.0
63.35048	0.9
69.38042	6.5
71.01366	2.9
72.99284	1.2
73.02934	1.1
78.95903	45.4
80.96492	2.2
85.02934	1.3
89.02427	1.1
96.96007	1.9
96.96959	7.8
97.02982	1.3
97.06597	0.8
97.53096	1.1
98.19889	1.1
99.04527	7.4
99.37172	0.8
101.02425	3.2
109.02858	0.8
111.08165	4.2
113.02441	1.3
115.92050	1.3
116.92844	2.8
119.05010	0.9
123.04549	0.9
125.02412	4.0
133.02927	1.6
135.04503	3.2
147.04381	0.8
152.99585	42.6
161.02390	3.9
161.04532	0.9
165.12822	1.0
169.12265	2.0
171.10275	1.4
173.04543	3.1
173.07393	0.9
175.08905	0.9
177.01880	1.3
179.03445	2.1
197.11826	21.7
199.13406	1.0
209.11754	2.7
209.15463	1.1
211.13411	4.1
223.00069	3.7
225.14830	1.2
241.01189	18.6
251.07111	1.7
263.20129	1.3
291.19647	4.9
309.20691	10.6
313.06943	0.9
315.04825	5.0
319.19119	6.0
319.22284	1.3
333.20602	1.1
361.20273	1.6
377.22531	0.9
431.33264	0.9
445.20029	2.0
481.28210	1.8
523.28864	1.3
589.93311	1.1
625.26147	100.0
626.26544	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	625.271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58966	0.3
55.01870	0.6
57.03425	0.5
58.00603	0.8
59.01380	15.3
60.25396	0.4
62.49652	0.3
69.03445	0.9
71.01379	11.7
71.50477	0.6
72.99319	0.6
73.02949	1.9
80.02670	1.7
81.03452	2.3
81.96619	0.3
83.01391	1.6
83.03925	0.3
83.05025	6.0
84.02155	1.4
85.02940	2.9
87.00874	2.6
89.02444	12.6
93.03458	0.4
93.34325	0.3
95.01374	0.7
95.05043	0.6
97.02437	0.3
97.02941	2.1
99.00909	0.8
99.04506	0.4
101.01797	0.7
101.02444	10.4
113.02451	5.2
119.03503	4.0
125.02453	4.0
125.06073	0.5
125.09717	0.4
131.03525	0.6
135.04535	0.7
135.08162	0.6
143.03468	2.2
149.04494	0.5
151.93394	0.3
161.02461	0.3
161.04594	2.8
163.11285	4.0
164.11420	0.4
165.12886	2.1
171.02837	0.3
179.05629	2.6
181.12364	0.8
184.28337	0.3
189.82146	0.3
191.10799	0.9
199.13359	0.5
209.11829	100.0
210.12167	3.9
221.06615	0.8
227.12877	19.1
228.13245	0.8
235.08240	4.1
253.09309	1.2
259.85617	0.4
262.25745	0.3
263.07629	0.4
268.01334	0.3
287.07751	1.4
305.08746	1.3
379.12473	0.6
397.13492	34.5
398.13986	2.2
415.14569	18.3
416.15009	1.5
607.26038	0.5
623.16626	0.4
625.26965	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18237	0.4
55.01864	0.5
57.03453	0.5
57.65412	0.4
58.00583	0.8
59.01377	16.1
63.76892	0.4
64.80324	0.4
69.03449	0.6
69.49631	2.2
71.01382	11.7
72.99328	0.6
73.02953	1.9
80.02664	1.6
81.03447	1.5
81.71132	0.4
83.01376	1.1
83.05019	6.2
84.02158	1.5
85.02952	2.3
87.00874	2.0
89.02437	14.6
92.29339	0.5
93.03457	0.8
95.01391	0.6
95.05011	0.5
97.02948	1.5
99.00903	0.8
101.02438	10.4
111.04503	0.4
113.02454	5.3
119.03483	4.3
125.02454	4.7
125.06091	0.8
131.03470	1.0
133.05060	0.4
135.08141	0.9
143.03477	2.6
147.11893	0.6
161.04596	2.6
163.11279	4.1
165.12807	2.1
169.05005	0.4
173.04463	0.6
179.03400	0.5
179.05569	2.8
181.04927	0.6
181.12361	0.7
191.10735	1.3
199.06139	0.4
209.11818	100.0
210.12163	4.0
217.07231	0.5
221.06639	1.1
227.12869	19.1
227.15152	0.9
228.13406	0.5
235.08185	4.5
237.12137	0.4
253.09207	1.0
277.09180	0.4
287.07697	1.3
305.08752	1.4
397.13474	36.5
398.13858	2.1
415.14563	19.8
416.14795	1.0
470.21381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.5
58.00584	0.6
58.62600	0.4
59.01379	14.4
61.98819	0.7
69.03454	0.9
69.16089	1.5
69.16517	2.9
71.01377	13.9
72.99303	1.5
73.02940	2.1
80.02662	1.2
81.03465	2.4
83.01388	1.8
83.05020	5.7
84.02170	1.1
85.02505	0.4
85.02935	2.2
87.00873	2.8
88.98823	0.5
89.02444	12.8
93.03455	2.4
93.28330	0.4
95.01364	0.8
95.05038	0.7
96.95964	0.9
97.02964	1.9
97.06617	0.4
98.20676	0.8
99.00871	1.0
100.62946	0.5
101.02441	11.0
109.02990	0.6
111.00909	0.5
111.04527	0.6
113.02444	4.9
119.03495	4.8
121.02982	0.5
125.02457	3.7
125.06105	0.5
131.03508	1.1
135.04515	2.1
137.02444	4.1
139.04022	0.8
141.01987	0.4
143.03513	1.6
149.02510	0.6
153.05609	0.7
161.02499	0.5
161.04555	2.6
163.11284	4.6
165.12813	3.1
169.05005	0.4
173.04478	0.7
179.03496	1.3
179.05597	3.1
180.03818	0.4
191.10666	1.0
207.10371	0.6
209.11818	100.0
210.12187	4.3
221.06628	1.5
225.11276	1.0
226.11630	0.5
227.12900	18.0
228.13127	1.0
235.08229	5.0
243.03008	1.0
253.09293	1.2
263.07846	0.7
287.07794	1.1
300.02899	0.7
305.08743	1.5
379.12378	0.6
397.13492	35.0
398.13904	2.1
415.14575	20.6
415.18863	0.4
416.15051	1.2
481.26578	0.9
505.09930	0.9
523.28448	0.5
607.26074	0.8
625.12347	1.6
625.25909	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	625.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11800	3.0
54.16480	2.9
61.98837	7.6
67.65967	3.2
69.93443	3.4
71.01353	3.5
71.52516	5.2
79.43925	3.2
85.54563	3.3
93.03468	3.6
107.98457	3.5
111.08178	15.9
133.03035	4.2
161.02492	3.9
169.12344	5.7
171.10289	6.1
173.04535	10.1
197.11821	57.8
198.12202	4.2
199.13329	3.5
211.13387	5.1
263.20230	4.1
271.20660	12.7
291.19601	13.0
309.17194	6.8
309.20667	100.0
315.19537	32.3
432.13223	3.2
625.28809	9.7
628.51648	3.9
646.52411	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	626.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	56.2
61.98812	5.4
64.20232	1.2
69.55104	6.1
69.55506	3.4
71.01381	2.7
73.02937	2.4
75.74185	1.3
83.01384	2.8
84.53215	1.3
93.03461	1.5
96.96016	3.8
101.02426	3.2
106.06632	6.6
108.04536	1.6
112.04040	4.2
116.05035	4.2
122.06111	9.5
123.03252	8.5
123.04476	1.7
124.04025	4.7
132.04543	9.9
134.03761	16.4
134.06119	89.1
135.04092	5.3
135.06418	2.4
137.02457	4.4
138.05609	27.2
144.04451	2.7
146.06160	1.7
148.04079	1.6
149.06079	4.1
152.07190	8.4
158.02502	2.4
158.06122	2.1
160.04033	19.8
164.07137	4.0
166.05063	2.1
172.04019	6.8
173.04529	3.0
176.03505	4.4
178.02682	9.5
179.03018	6.7
182.04584	2.4
184.06134	3.9
190.05116	12.7
192.06660	51.2
193.05074	29.9
193.06813	3.3
194.05394	15.9
194.08234	2.6
204.06650	23.3
218.08203	3.3
227.12897	3.8
228.13202	2.3
237.10387	2.1
249.10315	1.6
251.12010	2.3
255.11365	2.7
263.08133	1.5
264.09021	3.2
265.09705	2.2
269.13934	1.7
277.06155	1.8
279.11404	9.0
281.09061	6.6
287.15039	3.5
288.15375	2.6
292.08630	2.4
293.09366	1.9
305.09232	2.7
307.10840	38.2
307.14337	2.0
308.10980	3.4
311.14035	12.4
313.11813	1.8
326.01807	1.5
337.12003	11.6
339.13467	100.0
340.13727	6.7
357.14545	5.1
367.12943	61.0
367.16559	1.2
368.13162	2.7
371.16412	1.5
380.18927	1.5
397.14026	15.2
398.14340	1.5
399.15588	51.5
400.15918	5.9
402.18011	1.7
432.19376	3.8
446.17233	3.2
478.15942	1.9
488.18100	5.3
490.16122	1.7
506.19342	19.0
507.18854	4.0
520.20630	2.0
532.17047	4.2
537.55914	1.5
550.18298	23.7
551.18579	1.9
564.19604	7.8
582.20831	13.3
583.21442	2.2
626.25665	9.6
627.26489	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00647	0.8
59.01380	37.6
61.98833	4.3
62.89277	0.9
69.17149	4.6
69.17570	3.6
71.01382	1.9
94.06617	1.0
96.96004	1.7
98.20609	1.7
106.06635	8.0
108.04510	1.1
109.02979	0.9
110.02464	2.3
112.04079	4.2
116.05061	3.9
122.05316	1.1
122.06123	8.7
123.03276	8.6
124.04050	5.2
132.04532	7.7
133.02896	1.1
134.06116	80.5
135.04514	1.9
135.06454	0.9
136.07666	1.4
138.05597	25.5
140.07222	1.5
144.04529	3.4
146.06114	2.5
148.04106	1.4
150.05536	1.6
152.07150	7.6
158.02448	3.8
158.06090	2.0
160.04022	18.3
161.04552	0.9
162.05490	0.9
164.07135	4.2
166.05070	1.3
172.04102	5.2
173.04506	2.5
176.03526	2.2
179.03534	1.5
182.04659	1.2
184.06126	3.7
189.39081	0.8
190.05043	12.2
191.05595	1.3
192.06650	48.2
193.07008	1.9
194.08205	1.9
201.15762	0.8
202.05220	0.9
204.04817	1.6
204.06627	19.9
208.09886	1.2
212.10918	1.1
218.08250	1.8
236.09412	1.1
237.10272	2.2
239.11972	1.0
241.97809	0.9
251.11792	2.7
255.11386	2.8
257.12897	1.4
263.08234	2.1
264.08984	1.3
265.09650	2.4
267.11401	3.2
272.09607	0.9
275.48016	0.9
277.09738	2.4
278.10391	1.1
279.11346	9.2
281.09299	3.8
293.09247	2.4
295.11032	1.2
300.02786	0.9
305.09259	2.1
307.10886	24.9
308.11096	1.9
311.14005	11.2
323.10345	2.0
324.11047	1.5
337.11896	10.9
339.13467	100.0
340.13797	6.5
357.14606	4.9
367.12897	27.1
368.13165	3.1
397.14017	13.4
399.15585	50.8
400.16022	4.5
402.18085	1.8
419.16028	1.2
428.16147	1.5
446.17377	4.1
463.19235	1.2
478.16092	2.4
479.17612	1.2
488.18372	2.5
490.16373	1.4
506.19296	22.9
507.18573	2.9
508.17465	0.9
520.20630	1.6
522.18311	1.1
532.16907	4.8
538.21967	3.5
550.18250	38.3
550.26807	1.9
551.18420	4.7
564.19928	5.6
582.20789	18.9
583.21362	3.1
626.24573	2.6
627.26563	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	626.427
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90309	2.1
61.98831	100.0
71.52190	3.1
71.80231	2.8
77.75842	2.1
92.91477	2.2
95.80319	2.4
102.25371	2.2
172.25389	2.4
198.28522	2.5
238.85464	2.2
281.24567	2.2
290.71048	2.5
404.68765	2.5
595.05054	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	627.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19535	0.3
59.01377	1.2
61.98824	0.4
67.01899	0.5
68.99831	0.4
71.01379	4.7
71.51578	0.3
73.02940	0.8
75.00867	0.4
80.53461	0.3
81.03461	0.6
83.01399	0.8
85.02957	1.1
86.78280	0.3
87.00885	0.5
89.02442	0.6
91.01895	1.0
92.60378	0.3
95.01394	0.8
95.05038	0.6
96.96032	0.5
97.02947	0.3
99.00878	0.6
100.05190	0.4
100.30262	0.3
101.02430	2.4
107.01393	0.9
108.02165	2.2
109.02944	0.7
113.02464	1.7
121.03000	0.6
122.03757	0.3
123.00946	1.6
123.04517	77.8
124.01634	0.3
124.04844	2.0
125.02420	0.9
135.04533	0.5
137.02425	0.6
138.03186	0.4
151.00360	3.3
152.01163	4.3
153.05565	100.0
154.05872	2.5
165.01920	2.0
166.02704	0.9
167.03482	23.7
168.03819	0.4
179.03526	0.6
180.04259	1.1
181.05003	0.7
182.02232	1.5
185.11800	0.6
195.06642	1.5
197.04555	3.0
209.11711	0.6
225.07663	1.3
239.05602	0.4
251.05684	0.4
258.35403	0.3
274.73904	0.4
296.05341	3.3
297.09897	1.0
311.07687	55.2
312.08017	2.8
315.10834	27.5
316.11014	1.3
423.13071	1.5
465.13977	26.5
466.14264	2.3
591.28186	0.3
627.18707	1.2
627.26019	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	627.2098
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
51.83231	0.4
61.98832	0.6
62.15359	0.4
62.47375	0.4
69.87258	1.0
69.87651	1.0
72.21020	0.4
73.02925	0.7
77.58595	0.4
98.20659	0.4
99.23663	0.4
267.39050	0.4
360.85629	0.5
377.54376	0.5
437.12109	0.8
438.13492	1.1
451.14111	1.2
452.14865	3.2
465.15649	0.5
466.16586	0.8
469.10919	0.7
479.17490	0.9
480.13870	0.6
481.15060	7.9
482.15448	1.3
484.13751	1.0
493.15134	1.3
494.15961	0.6
495.16760	14.4
496.16962	1.7
507.16879	0.7
508.17249	1.5
509.17917	1.2
512.13367	1.3
521.14496	1.1
523.17706	0.8
526.14917	0.9
533.18066	0.7
535.16455	2.5
536.17053	2.5
539.15674	0.6
540.16974	2.8
545.44287	0.4
551.19348	35.2
552.19672	6.2
553.17438	0.9
554.18158	1.5
567.18512	0.6
568.15985	0.8
572.15295	2.7
586.17126	2.3
595.18317	7.9
596.18707	1.4
627.20929	100.0
628.21143	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	627.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31399	0.4
57.03448	1.1
57.78342	0.4
59.01379	26.9
60.01747	0.5
60.99300	0.9
61.09678	0.4
61.98826	1.1
69.03447	0.8
70.64100	1.1
71.01384	5.2
72.99305	0.8
73.02945	3.5
73.73492	0.4
78.98586	2.8
79.95738	9.0
80.96517	31.6
83.01386	2.3
85.02946	1.8
87.00860	1.3
88.98803	6.7
89.02452	0.8
93.03443	0.9
94.98087	6.9
95.01399	0.9
96.95995	3.6
97.02937	0.6
97.06593	0.4
99.04508	0.7
101.02456	2.1
106.98084	1.8
108.02182	1.3
109.02950	1.9
113.02419	0.5
116.92839	1.4
119.05010	1.9
121.02943	0.5
122.06125	0.5
122.97603	2.1
123.04501	2.9
123.06484	0.4
124.01651	0.6
125.02442	2.0
127.03994	0.5
133.02888	0.7
134.03703	0.5
134.06078	1.7
134.97597	2.3
135.04529	7.0
136.05309	2.9
136.99153	1.0
137.02438	0.8
148.99088	3.2
149.06070	0.6
150.03250	0.4
151.03999	1.2
151.07645	1.6
152.98642	2.5
158.07402	0.4
161.02481	2.1
161.04480	0.5
164.98636	6.6
165.05528	0.4
167.10858	0.6
171.10204	0.7
173.04544	2.6
179.03471	1.6
181.05084	1.2
185.02386	0.5
191.05605	1.1
195.06618	32.8
196.07074	0.8
197.04521	0.8
206.99582	2.0
207.13806	0.5
209.11758	1.1
225.00742	11.5
225.14894	1.2
227.12903	10.7
228.13184	0.6
233.11777	0.8
243.01543	0.5
267.06836	0.5
269.13931	1.4
287.15048	2.4
295.06183	0.8
299.04462	1.2
371.06671	0.6
399.12805	0.6
409.13129	0.5
431.19223	1.1
435.21082	0.7
465.08249	0.8
507.19537	1.2
539.22437	1.3
553.29852	0.9
583.20996	1.1
591.24402	1.2
609.25494	3.4
627.26740	100.0
628.27063	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	627.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71679	0.3
57.03432	0.6
59.01376	2.1
61.98818	0.8
63.96247	0.5
69.03455	0.4
70.26727	1.3
71.01377	4.8
72.99331	0.5
73.02939	1.2
75.81370	0.3
78.95890	0.4
78.98586	4.0
79.95732	11.7
80.96511	45.5
81.03448	0.8
85.02937	2.2
87.00850	2.0
87.18581	0.3
88.98776	1.0
93.03493	0.4
94.98084	11.9
95.01376	0.5
96.96024	1.6
96.96942	0.4
97.02925	1.1
98.19955	0.4
99.00899	0.4
99.04512	0.5
101.02427	2.5
106.98084	2.1
109.02959	0.6
113.02508	0.5
116.08968	0.3
122.97579	4.7
123.04552	0.4
125.02455	2.8
127.03992	0.7
134.97585	3.5
135.04483	1.0
136.99133	1.5
137.02399	0.4
146.97597	0.4
148.99139	4.1
152.98624	5.6
152.99716	0.6
161.02399	0.5
161.72989	0.4
163.04094	0.4
164.98624	9.7
167.00079	0.5
171.10269	1.0
173.04564	1.1
178.99979	0.5
182.99661	2.2
191.05635	0.7
192.61705	0.3
206.99649	3.2
211.13315	0.6
225.00719	20.3
226.00983	0.5
236.74588	0.4
243.01770	1.9
299.04288	3.0
301.22183	0.4
317.05341	0.4
327.21848	0.8
347.18530	1.1
365.13950	0.7
399.09406	0.6
471.15036	0.5
553.29834	0.9
555.39728	0.4
626.05280	0.4
627.26825	100.0
628.27124	11.2
628.37384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01367	2.4
61.98819	3.2
69.03485	0.8
69.34507	4.7
71.01365	1.4
71.65311	0.7
72.99280	0.8
73.02943	0.8
78.95905	52.0
81.40407	0.6
96.95991	1.6
96.96961	10.9
99.04518	1.3
99.08145	1.2
106.09119	0.6
113.02499	0.6
113.09710	1.8
119.04991	0.7
125.02402	0.7
125.09652	0.7
129.09177	1.5
133.02980	0.9
135.04573	1.1
137.02435	0.7
139.11253	1.2
152.99586	34.7
153.99908	0.7
156.96059	0.6
161.02412	1.1
165.12796	1.1
169.12337	1.6
171.10233	5.3
173.04568	1.4
181.12398	1.5
183.13943	0.7
193.12325	2.2
197.11821	2.6
199.13406	1.3
209.11804	2.1
211.13419	5.8
223.00040	2.0
237.55525	0.7
241.01169	24.1
246.73439	0.7
259.02292	1.4
269.65189	0.6
275.20154	0.7
284.02719	0.8
293.21234	8.2
311.18753	1.1
311.22278	16.5
312.22375	0.7
315.04813	3.3
321.20612	2.2
447.21646	4.0
535.28461	0.7
535.64648	0.6
578.00897	0.7
627.27832	100.0
628.28046	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	627.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80110	0.4
54.16906	0.4
57.03437	1.1
59.01381	3.2
61.98823	1.3
62.96404	0.4
70.82178	0.9
71.01375	1.3
72.99300	0.5
73.02940	0.5
78.02053	0.4
78.95901	44.5
83.05020	0.9
85.02940	0.4
89.02419	0.5
96.95988	0.9
96.96961	8.8
99.04522	0.8
99.08156	1.5
102.05607	1.5
107.05031	0.5
113.09703	1.6
123.04502	0.4
125.02395	0.5
125.09724	0.8
128.03539	3.5
129.09206	2.6
135.04549	0.7
137.09663	0.5
139.11247	1.5
141.09167	0.4
142.83778	0.4
150.97940	0.5
152.99580	47.3
153.12817	0.5
161.02412	0.7
163.11266	0.5
165.12852	0.7
169.12315	1.6
171.00632	1.4
171.10242	4.5
173.04616	0.8
179.10861	0.4
181.12335	2.0
183.13876	1.4
185.11911	0.6
193.12236	1.9
197.11845	4.1
199.13347	3.1
209.11754	1.6
211.13382	8.6
223.00099	4.7
227.13028	0.6
241.01173	19.6
259.02179	1.3
275.20224	1.1
293.21243	8.1
297.14539	0.4
311.22278	22.6
312.22742	2.1
315.04855	5.7
331.19168	0.4
333.05872	1.2
340.05157	0.4
447.21188	0.4
499.29062	0.7
517.37903	0.5
627.27820	100.0
628.28308	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	627.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46249	1.2
55.59042	1.1
57.03446	10.6
59.01378	34.1
61.98833	18.5
71.01382	5.0
71.52172	1.2
72.99287	1.6
73.02943	3.8
78.95914	3.0
78.98578	1.7
79.95732	3.3
80.96514	15.8
81.03458	1.4
83.01405	1.6
83.05005	1.1
83.35877	1.0
85.02943	3.3
87.00851	1.1
93.03449	7.6
94.98083	3.2
95.01382	1.4
96.95980	2.3
99.00837	1.2
99.04510	9.7
101.02439	6.2
102.05603	1.1
108.02171	17.3
109.02951	18.3
113.02431	2.0
119.05016	21.1
121.02942	2.1
122.97615	1.2
123.00883	1.1
123.04528	1.9
125.02457	6.0
133.02962	3.0
134.03777	1.4
134.29692	1.2
135.04518	9.1
137.02414	4.3
139.11288	16.5
143.08638	2.0
145.02934	3.2
146.03723	1.7
147.04446	1.3
149.02417	1.1
149.12325	1.0
151.00427	1.1
151.03947	1.7
152.01163	14.3
152.98557	1.5
152.99637	2.0
153.01904	7.8
158.03632	1.9
159.04456	3.1
159.11818	2.3
161.02434	5.2
161.04585	1.9
163.03958	4.4
164.98619	2.3
167.03568	1.2
171.10330	2.1
173.04535	14.7
174.04829	1.4
177.01854	1.7
177.12798	1.9
178.02499	1.3
179.03461	4.3
181.05038	1.2
181.12375	9.5
183.10245	19.2
191.05582	4.1
195.13797	1.3
197.11813	1.1
199.09734	1.3
199.13416	5.6
209.06119	1.9
209.11804	1.5
210.06725	1.3
211.07602	14.3
212.08072	1.4
221.11761	2.4
225.00699	5.1
225.11272	12.5
237.05679	1.8
243.12354	29.7
255.06654	12.5
267.06625	3.4
268.07333	2.0
281.04523	1.5
281.83249	1.1
285.13434	14.1
285.18506	2.0
299.05603	8.5
311.05215	1.1
313.07095	1.3
321.20572	2.8
329.17560	3.2
338.04218	1.9
345.15457	3.2
365.13983	6.3
409.12881	5.8
410.13309	1.3
463.10339	19.3
464.10574	2.7
565.30487	1.8
609.29193	3.0
619.24597	1.3
627.29486	100.0
628.31720	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	627.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55555	1.4
57.03448	74.7
58.03762	1.8
59.01377	77.7
61.98824	22.0
65.47192	2.0
68.96114	1.5
69.03439	1.8
71.01390	20.7
72.99304	3.0
73.02946	8.1
78.95908	3.3
79.95735	6.2
80.96519	21.1
81.03465	4.1
83.01400	3.3
85.02950	11.7
87.00896	1.8
88.03031	1.5
89.02454	3.2
93.03464	13.6
93.09670	1.6
94.98090	6.8
95.01399	3.5
96.96015	6.4
97.06595	1.8
99.00912	2.1
99.04517	90.2
101.02448	29.9
103.79862	1.8
107.05021	2.2
108.02175	41.6
109.02952	47.5
113.02454	8.0
119.05046	9.4
121.02923	1.7
122.97591	2.9
123.04523	2.3
125.02438	34.7
133.02982	3.4
134.97572	2.4
135.04529	9.5
137.02437	10.7
143.03482	4.7
151.04016	2.1
151.19040	1.5
152.01147	35.5
152.98573	1.9
153.01936	36.1
159.03043	1.7
159.04446	3.3
161.02412	6.0
161.04572	8.5
163.04005	4.6
164.98657	3.6
165.01941	1.7
172.81734	1.7
173.04584	14.4
174.04970	1.8
177.01898	2.9
179.03464	5.7
191.05586	5.3
207.10320	1.8
209.11774	1.8
211.07658	3.2
217.06624	3.5
225.00719	10.4
255.06612	2.2
267.06573	6.5
268.07178	2.8
271.29611	2.0
285.18674	3.1
312.06314	2.2
321.20425	1.7
329.17532	6.7
345.16992	2.7
365.13821	7.2
409.12759	3.8
463.10367	3.6
483.29535	16.6
525.30658	9.3
527.29279	2.2
565.33911	2.7
627.25281	100.0
627.34039	23.4
628.24854	14.2
628.33954	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	627.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85816	0.5
55.01876	0.8
57.03447	73.6
58.03792	1.0
59.01378	81.2
61.98823	7.0
68.00617	0.6
68.27036	0.6
69.03435	0.6
69.57140	3.1
71.01376	16.5
72.99313	1.4
73.02940	6.3
78.95896	0.7
79.95741	2.2
80.96519	8.4
81.03453	2.2
83.01377	4.3
85.02942	8.4
87.00892	1.6
89.02443	3.0
89.45265	0.6
93.03447	6.1
94.98093	2.1
95.01390	1.5
96.96015	2.3
97.02948	0.9
97.06601	0.8
98.19846	0.8
99.00890	2.6
99.04517	100.0
100.04863	2.0
101.02435	31.3
109.02930	3.5
112.40749	0.5
113.02437	6.7
119.03522	0.6
121.02972	0.8
122.97562	0.7
123.04511	0.9
125.02440	29.7
133.03006	0.8
134.03682	0.7
135.04517	4.4
137.02435	6.1
143.03531	3.7
145.02882	0.7
148.99127	0.6
152.98593	0.8
159.03032	1.3
159.04364	0.5
161.02409	1.4
161.04524	4.4
163.03989	0.6
164.98598	2.3
173.04536	3.8
179.03456	2.4
191.05542	2.4
200.64468	0.6
225.00713	3.4
225.11313	0.7
267.06461	1.9
312.06195	0.5
321.24191	0.9
347.18250	0.7
365.13937	2.7
409.12686	2.5
435.10938	0.8
483.29669	19.8
484.29791	1.6
525.30908	6.7
526.30988	0.7
527.28320	2.8
565.33380	2.2
583.34192	1.2
606.09283	0.6
627.25928	13.1
627.33527	22.8
628.25647	1.5
628.34125	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	629.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71578	0.2
57.03446	0.4
59.01371	2.2
59.02427	0.3
61.98827	3.0
64.60921	0.2
69.37617	0.9
69.38054	1.0
71.01381	0.6
78.95914	0.6
80.96540	0.6
81.03468	0.6
83.05074	0.2
88.98837	0.3
91.01907	0.4
93.03443	1.3
96.96001	0.6
101.02444	0.3
102.05622	0.3
102.85933	0.2
108.02168	2.6
109.02946	64.9
110.03277	1.5
113.02395	0.2
119.05045	0.3
123.04521	15.0
125.02422	0.3
128.03593	0.4
135.04532	0.9
137.02441	1.3
137.03423	0.3
137.09660	0.3
139.03978	0.2
149.31308	0.2
152.01176	0.6
152.07095	0.2
153.01929	100.0
153.05537	19.1
154.02269	2.2
154.05893	0.4
161.02437	0.6
167.03531	0.4
173.04536	1.0
173.44153	0.2
179.03427	0.5
191.05557	0.5
209.11798	0.5
249.65738	0.2
290.59531	0.3
331.18881	0.7
382.14764	0.2
382.32465	0.3
462.25470	0.4
597.23297	0.3
629.25903	15.5
630.26270	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	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.6
59.01367	1.8
61.98825	2.6
69.03409	0.5
71.01373	1.2
71.52426	0.7
72.99318	0.7
74.03648	0.4
80.96499	1.2
81.03442	0.6
83.04993	0.5
85.02953	1.9
87.10880	0.4
88.98825	0.4
93.03439	1.7
95.01362	1.6
96.96005	1.1
97.18801	0.5
101.02390	0.6
102.05629	0.6
108.02173	51.6
109.02960	29.6
110.03266	1.1
113.02468	0.8
116.92826	0.5
119.05023	0.6
121.02943	1.2
122.03746	0.5
123.00865	2.4
123.04537	2.2
125.02470	0.5
128.03531	0.4
133.02937	0.7
135.04472	2.3
137.02431	0.7
145.02962	0.7
151.03940	1.5
152.01147	42.0
153.01944	19.2
153.05551	1.1
161.02403	1.3
163.04015	2.1
165.01881	1.1
173.04526	2.0
177.01880	0.4
179.03444	1.3
181.05067	0.7
191.05547	0.5
201.11317	0.7
208.99191	0.4
209.11815	1.3
225.03960	0.5
240.05275	0.4
241.98599	0.4
262.41574	0.5
277.01282	0.4
285.18582	0.6
287.20132	2.8
331.19159	8.2
332.19403	0.7
586.28131	0.8
629.25970	100.0
630.26251	12.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31068	0.2
57.03437	1.2
59.01369	1.1
61.98819	1.5
63.85361	0.2
69.03400	0.3
70.12037	0.8
71.01371	0.8
73.02940	0.5
73.28793	0.3
79.95734	0.3
80.96524	0.4
81.03436	0.8
85.02937	2.6
88.98806	0.3
93.03456	1.0
95.01387	2.6
96.96009	0.7
99.04530	0.6
101.02437	0.5
108.02168	39.0
109.02947	31.4
110.03281	0.9
113.02394	0.4
119.04998	0.5
121.02946	0.7
123.00877	2.1
123.04498	1.6
125.02443	0.6
133.02956	0.5
135.00902	0.5
135.04498	1.1
136.89146	1.1
137.09697	4.6
138.10085	0.3
151.03999	1.4
152.01141	43.3
153.01927	13.2
153.05579	1.2
161.02490	0.6
163.03960	0.9
165.01920	1.1
167.03423	0.3
173.04515	0.8
179.03506	0.9
181.05006	0.6
187.26074	0.3
193.97249	0.2
195.02914	0.3
207.02893	0.3
225.03973	0.5
253.15941	2.5
269.19080	4.4
270.19498	0.4
287.20044	0.6
297.06213	0.5
331.19104	13.8
332.19516	1.1
629.25958	100.0
630.26263	13.2
630.36554	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.9
61.98801	1.2
62.64877	0.5
69.03430	0.5
71.01373	0.8
73.02906	0.4
80.96509	0.7
81.03442	1.1
85.02923	1.9
87.00876	0.5
93.03447	1.0
95.01374	2.0
95.69063	0.4
97.02895	0.6
98.20689	0.7
108.02171	42.1
109.02955	35.4
110.03304	0.5
121.02943	1.1
123.00849	1.7
123.04517	23.2
133.02936	0.5
135.04469	0.7
137.09708	0.9
145.97272	0.5
146.39793	0.5
151.03967	0.9
152.01151	44.7
153.01952	10.6
153.05562	33.3
154.02220	0.4
154.05899	0.7
159.80527	0.4
161.02405	0.6
163.03995	1.2
165.01888	1.1
177.01892	0.5
181.05070	0.5
225.03928	0.7
269.19098	4.8
287.20129	1.8
323.22311	0.5
331.19089	12.6
332.19220	0.7
449.55908	0.4
629.25946	100.0
630.26276	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	629.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59751	1.6
52.57151	1.1
56.45030	1.2
57.03445	1.8
59.01383	16.3
60.99369	1.3
61.98831	32.9
70.36793	2.5
71.01377	3.8
72.99299	3.2
74.99086	1.9
78.14919	1.4
78.95895	5.5
79.95731	2.0
80.96516	3.4
81.03465	1.8
82.78797	1.3
82.96120	2.1
85.02943	2.1
86.69669	1.4
88.98820	1.6
93.03455	17.5
93.18554	1.4
94.98082	2.1
95.92920	1.4
96.95998	9.5
97.02948	1.4
99.04506	2.3
101.02432	2.1
108.02174	49.0
109.02245	2.8
109.02954	52.7
112.98501	1.7
116.92842	2.4
119.05009	4.6
121.02962	3.1
123.00883	2.0
123.04490	4.6
123.48453	1.4
124.01660	3.8
125.02416	1.7
133.02968	2.5
134.03766	2.5
135.04541	12.9
137.02444	13.2
139.03995	2.7
147.04550	1.6
151.03981	3.9
152.01155	37.2
152.99529	4.4
153.01935	59.2
153.05562	3.0
158.78398	1.6
161.02469	6.6
163.04022	3.1
173.04568	9.5
175.03972	1.6
177.01964	2.3
179.03418	7.1
181.05078	1.6
191.03745	1.2
191.05638	5.4
193.04890	1.6
209.11760	3.5
211.13368	6.0
212.13744	2.3
229.14346	3.9
230.14766	1.5
253.16116	1.4
287.19952	2.9
329.23322	6.6
330.23676	5.9
331.19144	4.7
345.17075	5.2
361.16647	8.8
465.12262	1.9
483.23444	4.2
484.23914	4.9
554.30963	7.4
555.31439	13.1
629.26019	100.0
630.26660	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	630.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32004	0.2
59.01379	23.0
61.98829	100.0
63.59553	0.2
68.86450	0.2
71.01385	2.5
71.52126	0.2
71.52487	0.2
73.02952	1.1
83.01402	0.6
85.02968	1.4
89.02437	1.1
95.01419	0.2
96.96045	0.7
99.00880	0.2
101.02443	2.3
112.89283	0.2
113.02461	1.0
119.03526	0.5
119.21129	0.2
125.02473	0.3
135.04524	0.5
140.71233	0.2
142.52924	0.2
143.03493	0.2
161.04565	0.5
173.04616	0.3
179.03604	0.2
182.62822	0.2
201.46835	0.2
203.05626	0.3
307.58929	0.2
319.22830	0.8
361.23676	0.3
376.29572	0.2
463.27026	4.2
464.27377	0.6
481.28036	4.8
482.28586	0.7
523.29083	8.1
524.29559	0.9
635.26086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
59.01379	60.9
61.98829	100.0
67.58579	0.4
69.60294	2.3
69.85065	0.5
71.01379	8.6
72.99282	0.8
73.02939	3.2
83.01376	2.3
85.02953	3.9
87.00857	1.1
89.02439	4.8
95.01365	1.1
96.95939	0.5
97.02947	0.8
99.00842	1.4
101.01817	0.6
101.02443	9.2
102.02779	0.5
102.05524	0.4
108.02184	2.1
108.83031	0.4
109.02879	1.4
113.02449	4.6
119.03405	2.0
123.00602	0.5
125.02316	0.5
134.93921	0.4
135.04414	0.9
143.03459	1.0
143.04578	0.4
152.00981	1.5
153.01724	1.3
156.01518	0.4
161.02347	0.8
161.04543	3.0
171.10004	1.3
173.04327	0.9
179.03362	0.5
191.05405	0.6
197.11497	1.3
201.11147	0.5
203.05334	0.6
209.11583	1.1
243.75169	0.5
307.18494	0.5
319.22098	1.2
331.22003	1.4
463.25323	19.0
463.32584	2.5
464.25507	2.4
479.19687	0.5
481.26227	14.0
481.33926	1.8
482.26636	1.3
523.27057	27.1
523.35797	3.6
524.27362	2.9
623.91888	0.5
630.23798	4.2
631.26465	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	631.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98823	0.5
69.30357	1.0
69.30769	0.3
71.01369	0.2
72.99300	0.5
73.02966	0.2
74.63821	0.1
76.95615	0.2
79.95738	2.9
82.30351	0.1
93.03473	0.4
96.96010	100.0
97.93146	0.3
97.95953	0.3
109.02946	0.5
113.92608	0.2
114.93404	1.0
116.92794	0.2
119.05014	0.2
121.02929	0.2
122.45074	0.1
123.00902	0.2
123.04527	0.3
124.01666	0.9
135.04501	1.5
136.04854	0.5
137.02417	0.5
139.03969	0.3
152.42873	0.2
159.04411	0.2
161.02414	0.5
163.03976	0.2
173.04529	0.4
175.04074	0.2
179.03557	0.3
181.05046	0.4
191.05533	0.2
197.04550	0.4
203.12761	0.2
227.03516	0.9
229.05067	0.4
234.10242	0.1
252.14737	0.1
255.02946	2.5
256.03610	0.3
257.04514	0.3
284.03262	3.2
285.04007	3.6
286.04327	0.3
330.13278	0.2
345.09738	0.2
347.18610	1.2
377.42596	0.2
383.00757	0.8
386.22504	0.2
449.10660	0.2
463.75522	0.2
489.10361	5.4
490.10648	0.4
527.05267	0.1
568.24725	0.3
569.25696	0.2
587.03088	0.2
630.25360	0.5
631.26324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04929	0.7
59.01355	1.5
60.68711	0.7
61.98827	5.6
62.06396	0.7
63.48677	0.8
69.73139	0.8
71.01355	1.3
71.52240	0.8
72.99275	0.9
81.03442	1.7
85.02906	3.0
95.01345	3.0
96.95979	1.1
108.02168	38.7
109.02951	31.8
121.02942	1.6
122.03701	1.4
122.04539	0.8
123.00854	1.5
123.04520	50.0
124.04783	1.5
135.04459	1.9
152.01144	41.6
153.01962	12.4
153.05562	71.2
154.05888	1.6
161.02469	1.5
164.62558	0.8
171.10217	1.1
173.04524	1.3
179.03474	1.3
185.11642	0.8
209.11757	1.6
211.13409	0.9
268.06769	0.7
271.20697	0.9
315.19479	0.9
333.20694	8.5
342.07037	0.7
399.12274	0.7
466.13824	0.7
542.80566	0.8
631.27429	100.0
632.27954	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	631.2756
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
58.95992	0.6
59.01110	0.6
59.01374	4.6
61.98830	15.9
68.44691	0.7
69.67178	3.2
71.01365	1.8
72.99304	0.8
73.02940	1.2
78.95870	1.0
81.03458	0.6
85.02939	1.9
87.00887	0.9
88.74058	0.6
93.03458	0.8
95.01370	2.3
96.96008	10.6
96.96942	0.9
98.20618	1.2
101.02464	0.9
104.18777	0.6
108.02172	60.9
109.02961	24.6
121.02944	1.6
123.00888	1.6
123.04488	1.7
133.02945	1.3
135.04506	1.4
141.05046	0.7
151.03957	2.1
152.01151	54.1
153.01947	14.1
161.02380	1.1
163.03975	1.7
171.10207	0.7
179.03456	0.7
181.05061	0.8
209.11913	1.0
333.20636	11.4
334.20880	0.8
488.13596	0.7
524.29578	1.0
618.18378	0.6
631.27576	100.0
632.27777	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	631.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
61.98822	1.3
65.40445	0.3
69.12053	0.4
71.01386	1.1
72.15282	0.3
81.03459	1.1
85.02953	1.7
93.03462	1.0
95.01395	1.3
96.95987	0.4
99.00890	0.5
101.02398	0.5
107.05044	0.4
108.02174	58.5
109.02959	40.0
110.03249	0.6
113.02428	0.5
119.04996	0.3
121.02961	0.9
123.00886	1.2
123.04522	1.6
124.01702	0.6
126.68832	0.3
133.02956	1.0
134.03708	0.6
135.04526	1.2
139.04004	0.7
151.04012	1.6
152.01149	45.6
153.01936	43.9
154.02306	1.0
157.35068	0.3
157.76543	0.3
162.03119	0.3
163.04019	1.7
165.01933	1.2
173.04576	0.6
177.01915	0.5
179.03491	0.6
181.05052	0.4
195.02901	0.3
201.34386	0.4
209.11945	0.4
209.16951	0.4
225.04012	0.5
271.14511	0.4
297.06177	0.4
333.20728	9.2
334.20822	0.5
334.56079	0.4
375.27185	0.4
529.26105	0.4
607.42267	0.4
631.27576	100.0
632.27887	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	631.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.6
59.04162	0.4
61.98844	2.4
65.02831	0.5
70.66170	0.8
70.66528	0.9
71.01377	1.5
72.99311	0.6
80.77576	0.4
81.03480	0.6
85.02944	1.9
90.71164	0.5
93.03458	31.9
94.03793	0.9
95.01369	1.5
95.05009	0.4
96.96011	3.3
108.02171	37.4
109.02959	22.8
113.02518	0.4
116.92908	0.4
117.30723	0.5
119.04990	0.5
121.02937	1.9
123.00876	1.4
123.04523	31.8
133.02881	0.9
135.04512	2.5
137.02440	35.8
138.02753	1.3
151.03952	1.2
152.01147	36.1
153.01961	11.7
153.05571	47.6
154.05853	1.6
161.02408	1.2
163.03989	1.0
165.01880	1.0
167.03548	0.5
171.10280	0.6
173.04587	2.6
177.01918	1.7
179.03439	1.8
185.11803	0.6
189.87335	0.5
191.05595	1.0
204.20821	0.5
221.15398	0.4
227.08168	0.7
297.06308	0.6
315.07288	0.7
315.13528	0.8
333.20673	14.1
334.20889	1.3
349.19827	1.1
351.25681	0.5
359.12579	0.7
487.25330	0.7
631.27545	100.0
632.27887	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	631.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73925	0.3
59.01360	1.1
66.67969	0.3
67.18224	0.3
70.82210	0.5
70.82531	0.3
71.01392	0.3
98.81755	0.3
107.52908	0.3
113.04089	0.3
117.22956	0.3
150.62273	0.2
151.38486	0.3
259.20773	0.4
277.21695	100.0
278.22055	6.4
385.99924	0.3
583.39514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.1
61.98817	0.4
71.01405	0.4
71.52164	0.5
87.10328	0.3
168.27435	0.3
259.20438	0.4
275.20074	0.4
277.21689	100.0
278.22049	6.0
622.75555	0.3
636.34198	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.2
59.01381	35.1
59.81267	0.2
61.03637	0.2
61.98830	100.0
71.01385	1.7
71.52347	0.4
72.99316	0.5
73.02946	0.6
85.02930	0.8
88.04021	0.3
89.02427	0.4
93.03474	1.1
96.96011	1.5
99.00871	0.3
101.02456	1.3
108.02174	1.0
109.02996	1.1
113.02403	0.8
116.92826	0.3
119.04948	0.5
121.02901	0.3
123.04498	1.4
128.85556	0.2
134.03708	0.3
134.47818	0.2
135.04535	1.1
137.02370	0.9
139.03908	0.9
145.02846	0.7
152.01036	0.7
153.01935	1.2
153.05588	1.7
154.02132	0.3
161.02332	0.8
161.04424	0.3
163.03874	0.3
167.31808	0.2
171.10120	0.6
173.04417	0.7
179.03427	0.5
207.10222	0.3
279.67398	0.3
295.05893	0.2
315.46777	0.3
415.35248	0.2
419.23276	0.2
483.29416	1.9
500.17490	0.3
501.17331	0.3
525.30664	4.6
526.30176	0.4
632.26868	0.6
633.26868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04367	0.3
57.03456	0.8
59.01379	51.9
60.01723	0.4
61.98828	100.0
65.46213	0.3
71.01383	6.9
71.52251	0.4
72.99292	0.7
73.02565	0.3
73.02936	2.3
79.63976	0.4
81.03478	0.3
83.01378	1.3
85.02940	2.2
87.00851	0.6
89.02450	2.3
93.03431	0.6
96.95979	0.9
99.00851	1.2
99.04485	0.4
101.02439	5.3
108.02139	1.0
109.02966	2.0
113.02441	2.5
119.03485	0.8
123.03656	0.5
123.04521	8.1
124.04884	1.8
125.09666	0.6
128.03476	0.7
133.02837	0.6
135.04451	1.4
137.02426	1.8
143.03458	0.7
143.08543	0.4
149.04565	0.5
152.01041	1.1
153.01794	1.6
153.05569	9.0
154.02144	0.5
154.05933	2.7
155.02267	0.4
159.02916	0.5
161.02374	0.9
161.04439	1.7
171.10147	1.4
173.04373	1.1
179.03336	1.2
181.04961	0.4
197.04408	0.5
203.05464	0.4
207.09998	0.4
209.11617	0.9
225.11031	0.6
321.20767	1.8
321.23776	0.8
339.04544	0.6
465.28552	8.5
466.28339	0.8
483.29572	10.4
484.29175	1.1
525.30627	21.6
525.37769	1.4
526.30811	2.3
632.29529	2.0
633.28143	2.4
648.10181	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11768	0.6
61.98828	100.0
70.58256	0.5
70.74010	1.4
109.90030	0.5
150.51596	0.5
174.24803	0.6
206.88918	0.6
283.46808	0.5
453.04971	0.5
490.29926	0.5
520.03467	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
61.98832	2.2
69.40328	5.0
70.22288	0.7
71.01385	1.9
72.99308	1.4
79.95733	1.2
81.95310	0.9
89.02460	0.7
93.03487	1.2
96.96012	32.3
97.95898	0.8
98.95597	19.8
98.96429	3.3
99.92586	39.9
100.92677	1.4
100.93367	2.4
101.02440	1.0
109.02959	1.7
110.60984	0.6
110.99891	0.6
113.02422	1.4
115.92081	25.9
116.92860	100.0
117.03462	1.0
117.92886	3.7
119.05003	0.9
121.02934	0.7
123.04517	1.4
125.97256	0.6
126.94933	1.5
128.03517	0.7
129.23582	0.6
135.04529	2.0
137.02435	0.9
141.93652	3.2
142.94435	1.7
145.02922	2.8
151.00404	1.1
153.05563	0.7
156.92268	1.6
161.02425	1.2
163.04013	0.7
168.96043	0.7
170.93935	1.4
173.04558	1.7
173.92694	0.8
175.07721	0.7
179.57852	0.6
181.05098	0.7
184.91830	6.3
185.02490	1.6
185.92633	1.4
191.05598	0.8
205.12479	0.9
212.94966	1.1
226.96533	0.8
227.03555	1.6
242.96051	2.3
243.96814	2.3
244.97623	1.1
255.02979	7.3
256.03540	0.9
261.97839	1.9
283.02496	8.4
284.03177	4.4
285.04111	4.2
286.91132	0.7
295.06122	1.1
303.98859	1.5
330.97617	1.6
337.95419	1.5
341.10870	1.9
346.97235	1.1
347.18546	0.7
365.94720	9.1
366.95398	6.5
367.96048	1.1
368.97006	0.9
382.95154	1.9
383.95810	4.1
384.96338	3.0
396.96603	2.7
411.16809	0.8
510.99857	0.8
547.01965	5.2
548.02148	0.8
553.00836	0.8
571.02216	1.9
589.02966	25.1
590.03107	3.1
615.00446	1.2
633.01923	17.4
634.02100	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06203	0.2
53.89014	0.2
59.01382	1.0
60.69046	0.2
63.02383	0.4
64.87974	0.2
65.00336	0.7
67.86101	0.2
71.02023	0.2
71.06579	0.3
72.99304	0.4
77.51833	0.2
80.63380	0.2
83.01386	0.3
85.95905	0.2
88.98811	0.2
89.02475	0.2
93.03448	0.5
96.96008	0.9
101.02438	0.3
107.01382	1.4
108.02221	0.2
109.02946	0.5
118.04994	0.2
121.02946	1.5
132.02155	1.4
135.00897	1.2
135.04561	0.7
151.00366	1.9
152.00978	0.2
161.02423	0.8
163.00417	1.1
164.01169	0.5
169.01390	0.2
171.04514	0.5
173.04565	0.4
178.99861	1.1
179.03503	0.3
183.04503	1.0
185.02443	0.5
185.06047	0.3
187.03952	0.6
199.03882	0.4
200.04921	0.6
209.11771	0.5
211.04031	1.8
213.05460	0.3
227.03490	41.2
227.12846	0.5
228.03931	2.0
229.04993	0.8
239.03571	0.6
241.04956	0.2
255.02975	76.8
256.03531	7.5
257.04523	1.0
283.02475	1.5
284.03244	100.0
285.03873	12.2
286.04257	0.3
309.04053	0.3
326.04349	0.3
327.05048	0.6
336.09866	0.2
359.07483	0.3
388.24487	0.2
411.06979	0.3
471.09100	1.2
489.10580	0.5
501.56570	0.2
583.57031	0.3
635.16132	72.1
636.16479	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	635.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53520	0.5
57.03426	1.1
58.26154	0.5
59.01377	4.9
61.98806	1.8
69.31369	3.5
71.01375	2.0
72.99312	1.7
73.02943	1.7
77.50671	0.5
81.03476	0.5
83.01341	0.4
83.05006	1.1
85.02951	0.8
87.00855	0.6
89.02450	0.8
90.93369	0.5
93.03436	1.0
95.05031	0.9
96.96015	9.5
97.06576	0.8
101.02419	1.6
108.02151	0.6
109.02944	1.9
113.02481	0.6
116.92844	0.9
119.05009	1.3
121.60172	0.5
123.04504	1.3
123.08136	1.8
125.09694	0.5
133.02943	0.6
134.03699	0.8
135.04523	3.1
137.02473	0.9
137.09790	1.1
139.11284	2.3
141.12767	0.8
150.19150	0.6
151.03998	0.9
155.10725	0.8
157.12328	0.8
161.02397	2.3
163.04048	0.8
167.03416	0.6
170.09601	0.6
171.10222	1.8
173.04523	2.2
179.03499	1.7
181.05022	1.4
185.11824	9.3
193.05019	0.9
197.04555	1.1
198.33034	0.5
201.11317	0.9
209.11819	0.8
213.11314	1.7
214.12076	1.5
215.12871	2.0
223.06050	0.9
227.12750	0.6
231.07567	0.6
241.14020	0.9
243.15997	3.1
291.19641	1.1
293.10275	0.6
295.06003	0.6
303.19681	0.5
309.20691	1.4
312.06833	0.5
321.20813	1.2
327.21753	9.8
328.21783	0.6
329.11591	1.3
339.21826	1.9
343.21222	1.7
351.21860	1.0
357.22635	1.0
369.22803	6.2
370.22980	0.7
387.23862	100.0
388.24252	6.6
429.25034	1.6
471.26202	0.6
491.28583	1.0
547.22491	0.6
558.51056	0.5
591.30060	2.3
635.32300	1.3
646.15295	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37130	0.7
57.03348	18.2
57.03666	4.4
59.01278	12.9
59.01606	2.8
61.98727	3.5
61.99054	1.5
67.17312	0.7
69.03395	0.7
70.68928	0.7
71.01271	10.7
71.01701	1.5
71.52542	0.7
72.99194	2.8
73.02831	2.3
81.03371	0.8
83.01276	1.8
85.02834	3.5
87.00758	2.2
88.98721	0.9
89.02345	1.8
93.03355	1.7
95.01286	1.2
96.95927	1.3
97.06497	0.8
99.04375	4.5
101.02303	8.9
108.02058	1.6
109.02830	1.7
113.02297	2.6
116.63219	0.7
116.92725	1.0
119.04867	3.0
121.02795	0.8
123.04436	1.4
125.02402	3.5
125.09607	1.1
127.11169	1.1
133.02855	0.9
135.04512	4.5
137.02266	1.2
139.03882	2.5
139.11099	1.1
150.03038	0.8
153.01808	1.4
160.03868	0.8
161.02254	2.7
161.04489	0.9
163.03889	1.5
171.10254	7.1
173.04338	2.1
173.05945	0.7
179.03316	2.1
181.05061	3.7
181.12193	1.0
199.13342	10.0
201.11314	4.7
207.99097	0.8
209.11830	4.7
239.06963	1.0
255.02777	0.9
267.06396	1.2
284.03189	0.8
285.03833	1.1
300.36813	0.7
311.21976	1.7
327.21765	1.2
329.23328	17.8
330.23450	0.7
337.14789	0.8
347.24289	0.8
351.21548	1.0
353.23120	0.9
365.13828	1.5
371.24344	6.1
387.23746	1.9
409.12778	1.7
413.25037	1.2
473.27536	11.2
491.28574	100.0
492.28955	10.5
533.29639	50.5
533.38165	1.1
534.30103	4.5
573.32813	11.1
574.33630	1.0
591.33746	2.3
599.22394	1.1
624.96796	0.9
635.32928	27.9
636.33362	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	635.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	2.3
62.87119	0.4
68.70149	0.5
71.52231	0.7
75.76430	0.4
78.95900	26.3
79.81051	0.4
81.08891	0.5
91.35733	0.4
96.96953	3.5
109.06579	1.5
123.08136	0.5
125.09671	2.2
127.07658	6.8
127.11288	1.9
143.29814	0.5
152.99577	29.6
171.00691	2.6
171.06741	3.6
171.10254	100.0
172.10582	2.8
187.09720	1.1
201.11308	1.8
207.10048	0.5
227.03253	3.4
245.04330	0.5
251.85258	0.5
253.21710	19.1
254.22102	1.6
255.23273	3.1
275.16357	0.5
279.23251	2.1
293.17557	3.4
307.09366	2.5
321.16986	1.0
355.17462	0.7
356.84061	0.6
381.13123	2.0
391.22525	1.1
399.14212	73.6
400.14609	2.7
463.34283	0.6
483.27570	0.6
581.74664	0.5
635.25439	2.0
635.35425	28.3
636.26459	0.6
636.36084	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	635.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	10.5
70.74245	1.7
78.95895	11.6
87.36680	0.7
95.35249	0.7
96.96971	1.5
127.07700	1.4
127.11145	0.8
152.99580	9.1
171.10255	17.1
253.21727	3.1
255.23219	5.7
261.50262	0.8
279.23267	100.0
280.23639	6.5
391.22498	1.3
399.14230	12.5
400.14331	1.0
465.53772	1.0
617.34595	1.3
635.34814	8.3
635.44794	1.1
636.35736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02970	8.7
59.01367	1.0
61.98827	0.5
68.97728	0.4
70.02975	4.3
71.01380	1.2
71.51051	0.6
72.00893	2.7
91.05544	2.9
96.96010	0.8
104.52626	0.5
111.04553	0.5
125.22593	0.4
132.33430	0.5
134.03706	1.3
134.04652	0.6
135.04524	1.2
147.04514	18.2
147.05676	1.0
148.04857	0.8
149.06102	0.5
153.05573	0.8
162.09267	0.7
164.07152	50.9
165.07451	1.4
177.05614	0.5
193.05093	2.0
206.08206	100.0
207.08553	3.3
219.06657	0.7
237.14813	1.0
250.07268	1.7
281.13992	2.5
282.14261	1.6
344.77002	0.5
353.08664	0.9
354.09268	1.4
516.14789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.9
61.98827	100.0
68.33734	0.3
71.22104	0.4
71.22443	0.4
72.06326	0.3
74.01234	0.3
75.85180	0.3
78.95914	0.6
85.31519	0.3
99.65773	0.3
116.25458	0.3
152.99640	0.5
162.09360	0.3
425.88943	0.3
470.83936	0.3
571.36127	0.3
596.57648	0.3
605.24738	0.6
636.44824	0.4
637.44757	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.8
58.00591	0.8
59.01111	0.4
59.01379	5.0
59.30613	0.2
60.32288	0.2
61.98831	0.7
67.51156	0.2
69.03436	0.3
69.16198	2.6
71.01385	1.4
72.99296	0.3
73.02944	1.4
74.10830	0.2
75.00875	0.3
81.78381	0.3
83.01370	0.5
83.05020	0.5
84.02139	0.3
85.02946	1.0
87.00881	0.4
87.04509	0.8
88.98812	0.3
89.02446	0.3
89.40432	0.2
93.03458	0.8
96.96004	2.7
97.06551	0.5
99.00875	0.4
99.04504	0.5
101.02432	1.1
102.12241	0.2
107.08617	0.3
109.02933	0.7
111.08139	0.4
111.38877	0.3
113.02444	0.6
119.05011	0.5
119.08652	1.7
121.06590	0.3
123.04472	0.5
123.08156	0.9
125.02473	0.6
125.09686	0.5
134.06088	0.3
135.04510	1.0
135.08089	0.4
137.09726	2.5
139.04012	0.3
139.11269	1.4
141.12852	0.9
153.05528	0.5
153.09225	0.4
157.12344	1.2
161.01239	0.3
161.02425	1.3
161.04556	0.4
163.29916	0.3
167.10759	0.4
169.12306	1.0
173.04491	1.1
174.01842	0.4
179.03503	0.7
181.04964	0.3
185.11821	4.4
191.05539	0.7
194.94464	0.2
197.04480	0.4
209.11792	0.6
213.11354	0.8
215.12866	13.9
216.13104	0.6
220.96022	0.3
228.75430	0.2
229.14365	0.8
243.16093	0.4
291.19391	0.2
295.06036	0.5
311.22208	1.2
321.08456	0.5
327.21759	1.4
329.23309	9.6
330.23581	0.8
341.23267	5.1
342.23608	0.5
343.24780	0.4
345.22824	3.0
353.23221	0.9
359.24435	1.4
371.24347	9.7
372.24725	0.7
381.10989	0.8
387.23822	0.3
389.25430	100.0
390.25757	8.4
403.26816	0.7
413.13455	0.4
431.26376	2.7
432.26660	0.3
473.27594	0.9
475.27005	0.3
593.31671	0.9
637.33527	0.8
663.09174	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74577	0.8
57.03389	34.5
57.03704	2.5
59.01320	14.8
61.98767	2.8
69.03391	0.9
69.82429	3.6
71.01379	9.4
72.99247	2.0
73.02888	3.5
81.03407	1.7
83.01324	2.6
85.02944	4.8
87.00816	2.8
88.98736	3.0
89.02361	1.3
93.03392	1.5
95.43372	0.7
96.96012	4.8
99.04517	10.3
101.02448	10.1
111.00819	1.4
113.02379	2.3
119.04950	1.3
123.04470	1.0
124.01624	0.8
125.02444	7.7
127.11183	2.3
135.04420	2.6
137.02330	1.8
139.03951	0.8
153.05431	0.9
157.12280	1.6
161.02435	1.8
161.04446	2.0
162.65125	0.9
171.10240	1.8
173.04530	1.4
179.03380	1.7
181.05063	1.0
199.39459	0.7
201.11140	1.3
209.11823	5.4
220.22725	0.7
263.64874	0.8
295.22821	1.0
305.08774	4.9
313.23792	8.6
329.23169	3.8
331.24863	95.5
332.25098	6.3
338.90155	0.8
345.26517	1.3
348.38058	0.8
373.25912	4.1
389.25128	1.0
412.06409	0.8
457.27789	0.9
467.78622	0.8
475.29056	12.1
476.29233	1.0
493.30151	100.0
494.30447	10.8
535.31195	45.9
536.31555	4.9
561.30658	0.8
575.34332	11.7
576.34827	1.4
637.34387	42.2
638.34857	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	637.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24561	0.6
57.03448	26.9
58.00585	0.7
59.01378	13.9
61.98814	2.0
69.52976	1.4
69.53383	2.6
71.01075	0.7
71.01384	8.4
72.99296	2.1
73.02943	3.3
81.03449	1.2
83.01371	2.2
85.02961	4.0
87.00868	2.3
88.98833	2.9
89.02434	1.5
93.03468	1.1
95.01386	0.9
96.95994	1.6
97.02938	1.0
97.63881	0.6
99.00879	1.0
99.04531	4.4
101.01803	0.9
101.02448	8.8
108.02234	0.7
109.02895	0.7
113.02426	2.4
119.03482	0.8
119.04978	0.9
121.02948	1.7
123.04527	1.2
125.02468	4.2
127.11244	1.8
133.02977	0.9
135.04495	2.6
139.04027	6.0
151.56689	0.6
157.12364	1.0
161.02417	1.4
161.04515	1.2
171.10272	2.1
173.04521	1.8
179.03426	1.9
187.13286	0.8
197.04553	1.2
199.13388	0.8
209.11792	7.1
210.05902	0.7
222.75606	0.6
311.22119	1.0
313.23874	3.7
313.38983	0.6
325.09177	0.7
329.23367	2.1
330.23752	0.9
331.24890	25.6
332.25150	1.6
343.24850	0.8
346.14597	0.7
355.17505	0.7
373.25961	1.6
373.83182	0.7
379.39871	0.7
408.53494	0.6
457.27023	0.8
471.21078	0.7
475.29068	13.7
491.28564	1.6
492.28986	2.4
493.30139	100.0
494.30521	7.7
535.31165	45.2
536.31738	4.2
575.34161	11.7
576.34772	1.0
637.34320	33.5
638.34247	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	638.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12102	0.3
59.01382	1.4
61.98829	100.0
69.03461	0.3
69.20265	2.4
71.91451	0.3
78.95909	2.0
83.51420	0.3
100.05051	0.3
110.57362	0.3
114.75611	0.3
119.39537	0.3
120.62583	0.2
134.38231	0.3
152.99547	1.3
161.09822	0.3
179.10780	0.9
197.11812	2.8
209.11673	0.4
241.10857	0.4
255.23376	0.7
256.23737	0.6
277.21695	2.8
278.22110	1.0
315.14481	0.4
319.22601	0.4
575.35864	9.1
576.36377	1.1
638.28088	0.3
638.37018	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	638.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.7
61.98829	100.0
69.20158	4.1
78.95901	2.3
96.96931	0.4
98.20669	1.0
101.15775	0.4
148.87303	0.4
152.99628	1.3
179.10826	0.9
197.11868	2.4
255.23225	0.9
256.23694	0.7
275.96786	0.5
277.21777	1.8
278.22269	0.5
575.35852	8.4
576.36377	1.0
620.36847	0.8
638.37439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	2.7
59.01377	28.1
60.82172	2.6
61.98821	7.8
64.97326	2.2
69.37263	12.3
69.37697	7.5
71.01376	33.6
72.99286	2.5
73.02943	5.7
78.95899	7.3
80.96511	4.4
83.01385	7.6
85.02945	11.2
87.00873	46.5
89.02451	24.5
95.01383	2.8
98.20576	5.2
101.02438	16.7
111.67012	2.7
113.02436	30.2
116.92860	4.6
119.03474	9.5
123.20048	2.3
140.21802	2.4
141.01901	3.9
143.03496	8.3
161.04529	9.6
179.05623	12.8
194.93755	5.2
255.23268	100.0
256.23648	9.0
269.24847	49.2
270.25211	4.6
282.99060	3.5
297.24353	15.8
323.09836	44.3
341.10840	72.4
342.10956	4.1
343.01157	11.7
555.28235	11.9
557.28674	4.5
579.33862	49.8
580.34283	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	640.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.7
59.01379	64.9
61.98825	3.5
69.27960	2.9
69.28382	6.2
71.01359	2.0
72.99297	1.3
78.32647	1.0
87.95813	1.1
95.01393	1.1
99.04513	2.3
101.02436	1.8
106.06617	8.1
122.06122	4.8
124.04126	1.0
125.02464	2.2
128.54872	1.1
132.04526	3.3
134.06117	58.9
135.04494	2.8
135.06500	1.7
145.95070	1.2
146.06068	1.2
152.07196	5.9
160.04002	2.0
161.02423	2.7
173.04529	2.2
190.05077	3.6
191.05664	1.2
192.06693	2.8
194.08197	2.6
210.09358	1.2
213.10277	3.2
222.07816	1.2
225.06686	1.9
225.10355	2.4
234.08015	1.8
237.06630	1.9
237.10315	12.3
238.08728	1.8
239.08257	2.3
249.10381	3.2
250.07343	1.4
250.10971	1.3
251.08276	6.3
251.11829	1.7
252.08902	2.6
253.09828	6.9
263.08148	3.3
263.11664	1.5
264.08981	1.8
265.06131	6.2
265.09695	5.5
266.06912	12.2
267.07352	1.6
277.09583	2.6
278.06955	6.8
279.07626	4.7
279.11295	3.0
280.08630	5.4
281.09296	60.6
282.09686	2.5
284.08090	1.3
291.07733	2.9
292.08490	2.9
293.09283	40.5
294.09814	4.7
305.09128	1.2
307.07260	2.0
307.10791	10.4
309.12396	1.3
312.07108	1.1
313.11908	9.4
321.08926	1.5
323.10437	2.3
325.11874	4.8
336.11151	1.9
337.11810	4.0
339.13403	3.6
342.12476	1.1
356.17856	1.7
370.11859	1.7
384.17261	4.6
386.15042	1.9
396.13074	1.6
397.13913	3.0
398.10788	1.4
400.16806	7.9
402.18161	1.2
413.13693	4.3
428.16138	19.7
429.16214	1.9
432.19385	1.8
444.19672	1.6
446.16745	1.9
460.18771	21.8
461.19150	2.2
472.14951	1.6
478.19785	1.6
488.18219	41.9
489.18359	4.2
492.21503	6.9
504.17816	4.0
520.20862	66.5
521.21234	8.7
532.17249	22.6
533.17963	2.9
552.23456	19.3
553.23669	2.0
564.19824	100.0
565.20129	15.4
596.22443	21.6
597.22522	3.9
616.50903	1.1
640.23578	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	640.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.6
58.79533	0.8
59.01376	59.2
60.01706	0.8
61.98836	5.4
64.42108	0.7
64.87547	0.7
69.48802	4.1
71.01379	2.1
72.99308	1.0
78.95924	0.7
80.96500	0.9
89.02431	1.0
90.85279	0.8
94.40776	0.7
96.96001	4.6
98.19956	1.4
99.04541	1.6
101.02440	1.4
103.00372	1.6
106.06622	8.3
113.02473	0.7
116.92832	1.3
119.04984	0.7
120.99611	0.8
122.06139	5.8
125.02417	1.2
134.06110	41.4
135.04495	2.1
135.06554	1.3
152.07159	6.2
153.02020	0.9
161.02406	1.1
173.04590	3.2
184.18576	0.7
191.05623	1.3
194.08174	1.8
210.07762	1.1
213.10281	1.2
222.07887	1.5
225.06636	1.9
225.10300	2.7
236.05844	0.9
237.06616	3.1
237.10287	6.0
238.07434	2.7
239.08185	1.3
247.08710	1.4
249.06667	1.3
249.10284	1.9
250.08333	1.0
251.04582	0.9
251.05652	0.7
251.08200	6.9
252.05354	1.6
252.09032	2.2
253.09775	7.4
263.08197	2.9
264.08911	1.5
265.06207	7.3
265.09747	5.5
266.06927	11.7
267.07416	1.5
267.11386	1.7
275.08179	1.1
277.06183	1.9
277.09650	0.8
278.06964	8.4
279.07721	5.4
279.11316	2.1
280.08444	5.2
281.09280	71.2
282.09564	4.5
284.08035	1.0
291.07568	2.0
292.08496	3.2
293.09280	47.5
294.09863	5.8
306.10117	0.7
307.07407	1.4
307.10770	11.4
308.11185	0.7
313.11868	7.1
325.11780	3.5
326.08881	1.0
335.55389	0.8
337.08130	0.8
339.13333	2.8
356.17651	1.1
360.17181	0.8
370.11899	1.2
372.13367	1.1
384.17285	2.1
385.14761	1.4
386.14896	1.4
392.27438	1.3
398.10995	1.5
400.16589	8.8
412.12622	0.8
413.13760	2.4
421.39774	0.8
428.16138	15.2
429.16156	2.0
434.38229	0.7
446.16818	1.3
460.18735	12.2
461.19058	0.8
472.15173	0.9
488.18219	74.0
489.18604	7.8
500.97183	0.8
504.17685	2.6
520.20831	28.4
521.20825	4.2
522.18781	2.4
532.17194	55.3
533.17633	6.2
564.19794	100.0
565.20074	15.0
596.21973	1.7
640.33893	2.2
641.24951	2.3
656.31268	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.6
57.03436	0.9
58.00595	0.7
58.93111	0.4
59.01380	12.8
69.03446	0.9
70.25359	1.4
70.25708	0.6
71.01012	0.8
71.01385	12.0
71.05012	1.4
71.71204	0.4
72.99289	1.7
73.02943	1.9
81.03397	0.4
83.01377	1.0
83.05029	0.7
85.02952	2.2
87.00875	1.5
88.98796	0.7
89.02448	8.8
89.03326	0.4
90.31245	0.4
93.03426	0.6
95.01389	0.7
96.96021	0.5
97.02955	4.1
97.06583	1.4
99.00282	0.6
99.00883	9.4
101.02434	8.0
109.02939	0.5
109.06573	1.1
110.03729	0.8
113.02462	3.1
119.03522	2.6
120.38157	0.4
121.02946	0.6
123.04502	0.7
123.08139	0.5
125.02455	2.2
125.09695	2.8
127.11324	0.8
131.03473	0.5
133.02913	0.7
135.04497	1.3
136.05246	0.7
142.02676	0.6
143.03491	1.1
150.03140	0.5
155.14375	0.5
161.02402	0.8
161.04550	0.9
163.11290	5.5
167.03438	0.9
171.10251	1.2
173.04628	0.4
179.03458	1.0
179.05594	0.9
181.12335	12.9
182.12764	0.7
191.05621	1.3
192.99638	0.6
197.04565	0.9
197.11751	1.2
199.13394	13.7
200.13702	0.8
207.10263	24.2
208.10587	1.1
221.06635	1.7
225.11313	44.5
226.11728	2.1
235.08194	0.6
243.12363	15.1
244.12669	1.0
253.09344	0.6
307.65475	0.5
391.04941	0.6
397.13458	2.6
415.14462	1.2
479.11649	1.1
623.25458	13.2
624.25824	1.8
631.32007	0.5
641.26581	100.0
642.26935	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	641.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03431	0.9
59.01375	11.9
69.77766	1.7
69.78178	0.9
71.01383	10.4
71.05008	1.6
72.99296	1.2
73.02936	1.4
83.01373	1.1
83.05009	0.6
85.02946	2.6
87.00849	2.0
89.02439	7.2
89.50398	0.5
93.03419	0.8
96.95993	0.5
97.02940	3.4
97.06611	1.2
98.20325	1.5
99.00879	9.8
101.02439	8.3
109.02936	0.5
109.06583	1.3
110.03752	0.8
113.02476	3.4
113.03124	0.6
119.03491	1.7
123.04545	0.7
125.02438	1.3
125.09678	3.6
127.11314	1.0
133.02989	0.8
133.05069	0.5
135.04506	0.6
135.08119	0.6
137.02452	0.6
142.02722	1.1
143.03464	0.6
161.04530	1.3
161.09644	0.6
163.11278	4.8
167.03476	0.6
171.10251	1.7
173.04570	0.7
179.03500	0.6
179.05612	0.9
181.12320	12.2
191.05621	1.0
197.11784	0.7
199.13379	15.0
200.13748	0.6
207.10239	22.5
207.12222	1.1
208.10555	0.8
221.06657	1.5
225.11310	44.1
226.11674	2.0
235.08145	1.0
243.12347	14.3
244.12779	0.4
266.20383	0.5
266.83994	0.5
317.15933	0.6
397.13525	2.8
415.14743	2.3
479.12045	0.6
490.86612	0.5
623.25342	14.2
624.26099	1.3
641.26569	100.0
642.16675	0.9
642.26886	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
55.77744	0.5
57.03428	0.6
58.00587	0.6
59.01379	11.3
61.98818	0.7
63.32074	0.5
65.57789	0.5
69.03448	0.9
70.36691	0.5
71.01381	8.6
71.05003	1.2
71.52039	0.8
72.99302	0.7
73.02927	1.6
74.02430	0.6
83.01363	1.2
85.02931	1.9
87.00879	1.6
88.21002	0.5
89.02449	7.1
93.03477	0.7
95.01389	1.2
96.96023	1.3
97.02957	3.7
99.00879	8.1
99.04539	0.5
101.02438	6.5
109.02972	0.7
113.02431	3.2
119.03477	1.8
125.02441	1.9
125.09650	2.6
127.11275	1.0
136.05263	0.6
138.96021	0.6
142.02722	0.9
143.03447	1.3
153.05539	0.7
155.14362	0.9
161.04573	0.8
161.65430	0.6
163.11259	5.0
171.10204	2.1
173.04532	1.2
181.12334	14.4
182.12743	0.9
191.05577	1.2
197.11784	0.7
199.13397	20.7
203.08095	0.6
207.10248	27.1
208.10562	1.0
221.06741	0.8
225.11304	47.3
226.11639	2.6
231.35500	0.6
243.12355	16.4
244.12622	1.1
262.47980	0.6
317.15970	0.7
397.13342	4.0
415.14471	2.2
566.42462	0.6
623.25507	14.5
624.25977	2.4
641.26556	100.0
642.26996	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	641.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03386	18.4
57.03699	1.5
59.01318	5.2
61.98769	2.9
66.01322	0.3
70.12172	0.3
70.65963	0.8
71.01378	3.0
72.99263	0.7
73.02940	2.7
78.95839	0.4
78.98524	0.8
79.43261	0.2
79.95728	1.8
80.96508	7.8
81.03403	1.2
83.01340	0.8
85.02872	0.8
87.00819	0.9
88.98755	0.3
93.03390	1.1
94.98107	1.5
96.95948	0.7
97.02908	0.3
97.06548	0.4
97.42595	0.3
99.00842	0.3
99.04514	19.4
101.02441	7.7
105.01852	1.0
106.98019	0.5
109.02901	0.7
110.68616	0.3
113.02411	0.6
113.06047	0.3
116.92869	0.4
119.05037	1.4
121.02895	0.3
122.97536	0.4
123.04514	2.3
125.02439	20.0
126.02728	0.3
133.02939	0.4
134.03656	0.4
134.06064	0.5
134.97505	0.6
135.04498	1.8
137.02310	0.9
143.03418	1.2
148.99042	0.8
152.98514	1.1
153.01956	0.4
155.03485	0.3
161.02463	1.8
161.04474	0.9
163.03964	0.7
163.57768	0.3
164.98666	1.7
164.99796	0.4
173.04465	1.1
177.01889	1.0
178.00665	0.3
179.03362	0.9
182.99626	0.4
191.05513	0.7
196.81142	0.3
197.04649	0.3
203.05592	0.5
206.99570	0.4
209.11812	0.3
225.00728	2.4
225.11215	0.4
267.05057	0.6
268.57123	0.3
270.27472	0.3
305.08734	4.8
306.09076	0.3
335.22241	100.0
336.22598	7.4
349.23758	3.9
377.23288	1.2
401.51437	0.3
497.27771	1.1
521.19623	0.6
539.28180	0.5
561.29181	0.3
597.24414	0.4
597.33069	2.3
641.30884	21.4
642.30896	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	641.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.78885	0.7
57.03445	70.5
57.09042	0.7
59.01378	86.3
60.01727	0.9
60.18735	0.8
61.98830	5.9
69.03429	0.8
69.66394	3.4
71.01376	23.2
72.99308	1.9
73.02940	7.4
73.81107	0.7
78.95914	2.7
79.13979	0.8
79.95735	1.2
80.96524	3.3
81.03445	2.0
83.01391	4.2
85.02944	9.7
85.99623	0.8
87.00864	1.6
89.02436	3.1
93.03459	1.3
95.01392	1.9
96.95985	2.1
97.02931	1.4
99.00882	2.2
99.04514	100.0
100.04831	1.2
101.02446	30.4
105.01917	1.6
113.02448	8.4
113.43844	0.9
116.92850	1.6
119.05048	2.2
123.04546	1.3
125.02444	47.0
126.02691	1.1
130.66794	0.8
134.06090	0.8
135.04521	3.8
143.03488	4.1
152.99614	1.2
153.05489	0.8
159.02957	1.8
161.02419	1.0
161.04559	8.4
163.03976	1.3
167.03496	1.1
173.04593	2.4
179.03589	1.1
191.05563	1.8
192.06654	1.1
209.11809	1.7
223.08208	2.4
225.00728	1.2
248.15927	0.8
303.19662	1.0
305.21198	16.8
322.83551	0.9
335.22086	1.4
347.18674	0.9
375.27457	3.5
392.27701	1.0
393.27652	1.9
479.26410	14.1
497.27563	13.9
498.27716	1.5
539.28552	7.8
541.26526	3.8
543.15015	1.2
579.31726	2.3
597.33118	1.2
602.51147	0.9
641.32544	32.8
642.32855	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	641.318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18612	0.6
57.03447	40.8
59.01379	12.9
60.21183	0.7
60.69884	0.6
61.98832	9.3
69.03449	1.3
69.71880	3.2
71.01374	7.1
73.02956	3.0
78.95894	1.2
79.95742	3.1
80.96516	2.4
81.03447	1.3
82.95417	0.7
83.01380	1.2
85.02944	1.5
87.00864	0.6
88.98801	2.1
89.02453	2.0
93.03491	1.4
96.96015	9.1
97.06588	12.1
97.71757	0.6
99.04518	44.2
100.04858	0.8
101.02448	12.7
109.02956	0.7
109.06625	0.6
113.02449	3.2
119.03455	0.7
119.05025	1.0
121.02945	1.1
123.04515	1.8
125.02441	20.3
133.02959	1.2
133.99261	0.7
135.04507	2.8
137.02350	1.1
137.09729	2.5
141.05548	0.9
143.03500	2.5
148.92967	0.6
149.09590	0.9
151.11151	0.6
151.53714	0.6
152.07146	0.9
153.12810	0.8
159.04494	0.7
161.02403	2.0
161.04625	3.1
164.98659	0.7
165.05539	1.1
167.10765	9.5
173.04552	2.3
179.03476	2.3
200.93810	0.7
203.05576	1.5
207.10349	0.8
209.11760	1.1
220.29300	0.6
223.10902	0.7
225.00867	0.7
229.85069	0.6
241.01102	0.7
263.07870	1.1
268.46353	0.8
305.08731	6.0
317.20969	0.7
319.23041	0.7
323.09677	2.3
335.22256	100.0
336.22556	8.6
349.23676	1.5
377.23355	3.1
471.15289	1.3
487.17722	0.8
497.27557	15.0
498.27856	1.6
527.17810	0.7
539.28522	10.2
540.29089	0.8
579.32062	1.9
641.32233	12.2
642.32214	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31412	0.7
58.00579	1.4
59.01379	16.5
61.98812	0.9
65.44010	0.7
69.03452	0.8
71.01377	17.0
71.50582	0.7
72.99303	1.3
73.02942	2.8
80.02684	0.9
81.03452	2.4
83.01398	1.5
83.05042	4.3
85.02949	3.4
87.00871	2.3
89.02443	17.1
93.98002	0.7
95.01404	0.8
96.96015	2.8
97.02936	2.0
98.93053	0.7
99.00877	0.7
101.02438	12.5
113.02438	7.2
119.03503	4.7
125.02451	4.9
125.09727	2.5
127.11301	3.9
131.03590	0.8
143.03467	2.8
146.04347	0.8
149.04420	0.8
155.10760	1.5
161.04506	3.4
163.11301	3.5
165.09195	1.7
165.12857	2.3
169.04932	0.8
171.10272	1.3
179.05563	4.5
191.10695	0.7
197.04549	0.9
199.09769	1.0
201.11313	85.0
202.11705	3.4
209.11813	100.0
210.12212	4.8
214.65970	0.8
221.06572	1.1
227.12865	19.4
228.13274	0.8
235.08255	5.9
253.09193	2.0
263.07581	1.0
273.26413	0.9
281.04422	0.6
287.07587	1.8
305.08804	1.8
307.70236	0.8
323.09943	1.0
334.33395	0.6
355.04861	0.7
397.13464	55.8
398.13989	3.3
415.14554	41.4
416.14923	1.6
481.13867	0.9
599.25482	10.3
600.26147	1.5
607.26324	3.5
625.27350	1.1
643.28546	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	645.2555
Annotation	Riparianin
Peak:m/z	Relative Intensity
57.03434	0.9
59.01394	2.0
61.98817	1.3
69.03464	0.5
69.93277	1.6
71.01371	1.3
72.99318	0.5
73.02937	0.5
78.81179	0.4
78.95895	0.9
81.03426	0.8
83.05050	0.5
85.02950	2.4
88.79168	0.3
93.03439	1.7
95.01374	2.4
96.96011	1.1
98.20611	0.5
101.02439	0.9
108.02173	51.1
109.02956	33.7
109.03589	0.3
110.03281	0.5
113.02455	0.4
116.97250	0.6
119.05002	0.8
121.02933	1.4
121.83103	0.4
123.00881	2.0
123.04530	8.6
123.08148	1.9
124.04829	0.4
128.49641	0.4
133.02957	0.8
135.04530	1.9
137.02420	0.9
139.11232	0.4
145.02896	0.5
151.03992	1.4
152.01147	50.0
152.99606	0.8
153.01944	17.6
153.05565	8.9
155.41084	0.4
159.04546	0.5
163.03993	1.6
165.01921	1.3
167.03491	1.6
171.10196	0.7
173.04515	1.9
177.01863	0.4
179.03448	1.2
181.04990	0.6
191.05533	0.6
209.11855	1.0
241.01233	0.6
253.16003	0.8
255.17563	5.0
267.06461	0.6
268.07355	0.7
273.18573	1.3
297.06186	0.5
303.19720	0.4
312.20370	0.4
317.17560	11.5
318.17865	0.9
329.23151	0.6
347.18661	0.6
365.13632	0.4
409.12817	0.5
615.24377	31.8
616.24561	4.2
645.25439	100.0
646.25775	14.5
646.36279	0.8
652.84790	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65284	0.5
57.03421	0.7
59.01389	3.0
59.80218	0.5
59.92563	0.5
61.98826	6.9
68.26933	0.6
70.52695	1.4
71.01360	1.5
72.99274	0.9
78.95906	3.8
81.03448	0.7
85.02950	3.3
85.31055	0.7
93.03439	1.3
95.01375	1.8
96.95987	2.1
96.96976	0.8
99.08179	0.7
101.02419	0.7
108.02171	37.8
109.02955	29.3
110.03298	0.6
113.02430	0.6
121.02930	1.0
122.03689	2.1
123.00854	1.9
123.03760	0.7
123.04525	7.5
135.04526	2.6
135.08183	0.6
137.02417	0.7
139.11259	1.1
151.03984	0.6
152.01147	38.5
152.36813	0.5
152.99495	1.9
153.01952	12.6
153.05502	2.8
154.02199	0.6
159.04472	0.6
161.02385	1.7
163.03993	1.3
165.01845	0.9
171.10251	4.1
173.04515	3.6
178.02505	0.5
179.03467	1.6
191.05518	1.2
199.09767	0.9
201.11191	0.8
209.11787	1.0
211.13277	1.1
229.14360	0.6
241.01100	1.9
249.42464	0.5
253.15977	1.1
265.16003	0.6
267.06470	1.0
267.17365	1.5
285.12289	1.3
285.18549	3.1
303.19537	0.8
329.23193	2.4
333.20490	0.6
347.18607	13.4
348.18823	1.0
452.70157	0.5
534.04279	0.6
645.25439	100.0
646.25824	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	645.2555
Annotation	Riparianin
Peak:m/z	Relative Intensity
57.03439	1.1
57.35012	0.3
59.01381	1.9
61.98829	2.6
68.99852	0.3
69.03468	0.5
71.01388	1.0
72.99301	0.6
73.02943	0.3
78.95921	0.4
80.96487	0.4
81.03460	1.2
83.05033	0.6
85.02950	2.2
87.00875	0.4
93.03459	1.1
95.01401	2.5
96.96014	2.1
99.04508	0.7
101.02444	0.6
107.01456	0.4
108.02174	40.1
109.02959	31.0
110.03293	0.8
113.03699	0.4
119.05066	0.4
121.02974	0.9
123.00887	2.1
123.04521	1.3
125.02431	0.8
133.02974	0.6
133.21661	0.3
135.00827	0.4
135.04543	1.6
135.08141	0.4
137.02432	0.8
151.03978	0.9
152.01152	41.2
153.01941	13.5
153.05464	0.4
154.02377	0.4
161.02435	0.7
163.04012	1.4
165.01952	1.2
173.04572	0.9
179.03415	0.5
181.05023	0.4
189.73701	0.3
191.05644	0.7
193.05040	0.4
195.03001	0.4
197.04556	0.6
207.02930	0.4
225.04007	0.6
241.08678	0.4
251.14624	0.3
253.15961	1.2
255.17586	1.1
267.17508	0.7
285.18707	1.8
303.19708	2.0
318.76898	0.3
339.21814	2.4
347.18622	11.6
348.19028	1.0
357.64938	0.3
556.57568	0.3
645.25470	100.0
646.25830	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01376	2.3
61.98813	0.9
62.15329	0.3
69.03445	0.5
69.51875	2.2
71.01380	1.5
72.99319	0.5
73.02943	0.4
81.03460	1.4
85.02949	2.2
89.54411	0.3
93.03474	0.9
95.01379	2.0
96.95968	0.4
98.19981	0.5
101.02441	1.1
102.05617	1.2
108.02174	46.9
109.02956	36.7
110.03286	0.9
113.02454	0.8
121.02984	1.0
123.00878	1.3
123.04529	2.2
125.02412	0.6
128.03462	0.4
133.02953	0.5
135.04517	2.1
137.02498	0.4
139.04007	0.5
141.01726	0.5
146.04636	0.4
151.03992	1.3
152.01147	46.7
153.01930	24.0
153.05536	1.3
154.02292	0.5
154.05907	0.4
161.02400	0.5
161.04544	0.5
163.04018	1.2
165.01874	1.1
173.04549	0.7
177.01874	0.7
179.03474	0.7
191.05592	0.5
201.11331	8.8
209.11816	6.3
218.91312	0.3
219.13936	0.4
227.12869	0.8
253.09328	1.4
283.17026	0.4
301.18073	1.1
331.19077	1.0
349.15872	0.8
349.20148	14.9
350.20502	1.0
496.65143	0.4
567.24963	0.5
647.27008	100.0
648.27386	13.2
648.36084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.14493	0.6
69.14922	0.5
83.49178	0.1
98.19878	0.3
119.60696	0.1
190.85637	0.1
269.14447	0.1
289.18069	0.2
307.19247	0.3
407.01050	0.1
474.80072	0.1
544.87469	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	648.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35506	0.2
51.44173	0.2
51.65152	0.2
61.98826	100.0
63.33171	0.2
66.93718	0.2
69.37923	1.3
141.55792	0.2
220.41083	0.2
246.11577	0.2
334.22250	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25077	1.5
55.16821	1.3
59.01368	2.8
61.98825	8.8
70.59032	3.4
72.99310	34.9
78.95880	1.3
93.03453	10.8
96.95982	5.4
99.92525	2.4
109.02966	12.5
116.92863	16.8
117.92886	7.4
118.92679	2.9
118.96931	2.4
119.05040	2.5
119.94701	2.4
121.02966	3.6
122.03754	2.1
123.04538	11.1
129.42719	1.6
130.04224	3.4
131.04941	2.0
133.02966	14.2
134.03731	1.9
135.04538	9.9
137.02466	1.6
137.06055	1.8
143.04895	2.0
145.02943	7.3
147.04480	3.9
149.02431	2.6
150.03206	6.5
151.03981	5.3
159.04517	20.3
161.02422	26.3
163.11211	2.0
173.04620	2.2
174.54585	1.6
177.01917	1.9
178.02614	2.4
179.03450	7.0
187.03972	11.2
195.08217	1.6
197.04565	2.2
209.05894	1.7
211.07564	2.5
221.75018	1.5
223.07617	4.4
225.05692	1.4
229.08325	1.5
237.05508	3.6
238.06320	3.0
239.07187	7.7
251.07127	35.0
252.07767	7.3
253.08658	24.2
267.06525	4.5
273.46347	1.5
291.19699	6.5
295.06097	10.5
296.06870	18.0
297.07642	24.2
298.07919	2.3
305.21213	2.3
309.20636	3.6
331.19131	4.8
339.04999	3.7
341.06635	32.5
342.07016	2.3
395.21915	3.0
407.22253	4.4
413.23172	5.9
425.23032	10.1
445.33234	1.8
451.21295	3.2
487.23355	100.0
488.23569	11.7
490.50113	1.8
561.28717	1.8
605.27386	10.5
649.26398	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	650.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.4
57.03459	0.4
59.01381	33.7
60.99328	0.4
61.98829	100.0
71.01377	3.8
71.52383	0.4
72.99329	0.6
73.02957	1.3
83.01393	1.0
85.02951	2.2
88.98829	1.3
89.02005	0.3
89.02424	1.4
93.03458	0.6
95.01385	0.5
95.37830	0.3
96.96048	0.7
99.00877	0.7
101.02433	3.0
108.02190	2.2
109.02957	1.5
113.02448	1.9
116.92869	0.7
119.03498	0.6
119.04994	0.3
123.04529	2.3
125.09775	1.2
133.02974	0.5
135.04507	1.4
137.02504	0.6
139.31110	0.3
143.03477	0.4
152.01135	2.3
153.01930	1.5
153.05563	2.3
154.06041	0.3
155.58931	0.3
159.03047	0.5
161.02483	0.6
161.04611	1.1
171.10286	0.7
173.04585	0.4
177.01974	0.3
179.03493	0.7
181.05038	0.3
187.09763	0.5
191.05557	0.4
209.11812	0.6
248.63882	0.3
249.19379	0.3
258.52347	0.3
315.07391	0.9
327.21857	1.7
333.39130	0.3
339.25211	0.3
429.17535	0.3
483.29599	4.7
484.30322	0.4
501.30804	5.9
503.19238	1.7
543.31732	16.9
544.32111	2.6
607.20093	2.7
633.31415	0.8
650.29828	0.6
651.32434	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	650.303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
57.28480	0.5
59.01381	47.5
61.98829	100.0
69.66063	0.7
69.83021	2.4
71.01387	5.4
72.99289	1.2
73.02958	1.6
83.01389	1.0
85.02960	2.2
87.00864	0.7
89.02455	1.3
93.03489	0.9
96.96022	1.0
99.00912	0.6
99.04517	0.6
101.02436	3.7
108.02185	1.2
109.02977	1.7
113.02467	2.4
119.03518	0.9
119.05049	0.8
123.04559	1.2
129.17236	0.5
133.02959	0.8
135.04543	4.1
137.02455	1.2
143.03493	0.6
145.03033	0.7
149.73975	0.5
152.01160	1.5
153.01912	1.3
153.05545	1.3
161.02467	1.7
161.04535	1.4
171.10309	2.1
173.04562	3.5
179.03513	3.1
180.03934	0.9
191.05606	2.0
209.11932	1.2
214.02800	0.6
225.87840	0.6
227.03534	1.4
228.04448	0.5
231.44165	0.5
249.08046	0.7
267.06677	1.1
311.05673	4.5
353.08841	1.1
354.09238	1.6
355.04758	1.6
423.65625	0.6
436.00723	0.5
483.29608	20.2
484.30414	1.4
501.30768	3.9
502.31091	0.6
543.31696	29.8
544.32172	3.9
651.29962	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	650.427
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21745	0.3
61.98826	100.0
70.92543	0.7
74.94625	0.3
101.13625	0.3
246.67363	0.3
271.98926	0.3
300.33981	0.3
309.20715	0.6
310.83258	0.3
511.59000	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71888	0.3
58.98820	0.2
59.49836	0.3
61.57151	0.3
61.98830	100.0
69.85358	1.5
95.44263	0.3
98.20636	0.4
108.02735	0.2
162.11728	0.2
216.80214	0.3
307.19321	0.4
322.25964	0.3
628.86682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37943	0.3
61.98830	100.0
64.06829	0.3
70.07644	1.0
78.95897	0.6
86.17273	0.3
104.15912	0.4
105.58891	0.4
115.95371	0.4
116.71008	0.3
152.99559	0.5
194.48860	0.3
240.00725	0.3
255.23305	0.5
262.24930	0.3
279.23242	0.4
284.18600	0.3
361.79724	0.3
473.28430	0.3
525.76489	0.4
651.39325	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31386	0.2
56.65989	0.2
57.61750	0.2
59.01375	0.3
62.47458	0.2
62.98241	0.2
63.02387	0.3
64.86695	0.2
65.00334	0.5
70.83354	0.4
71.01377	0.3
82.95421	0.3
83.01396	0.4
89.02467	0.3
91.01929	0.2
96.96022	0.4
101.02456	0.2
101.09769	0.2
107.01399	1.3
108.02177	1.6
109.02993	0.3
121.02957	0.4
123.00976	0.2
124.01646	0.2
135.00874	0.8
135.04500	0.2
148.01656	1.5
149.02524	0.2
149.86615	0.2
151.00363	3.3
152.01187	0.2
161.02486	0.3
163.00346	0.9
164.01106	0.6
169.01486	0.2
171.04552	0.3
173.04585	0.3
177.01875	0.2
178.99863	2.5
183.04468	0.2
187.03999	0.3
190.99928	0.3
192.00645	0.4
198.03262	0.2
199.03935	1.0
201.02020	0.3
203.03534	0.3
211.03987	0.5
215.03493	0.7
216.04202	0.5
226.02698	1.4
227.03505	2.7
228.04150	0.3
229.01450	0.3
243.02969	10.8
244.03471	0.8
245.04564	0.2
254.02225	2.3
255.02966	26.1
256.03342	1.4
271.02463	57.9
272.02945	4.5
299.01971	2.1
300.02725	100.0
301.03220	9.2
302.04315	0.2
345.15363	0.2
489.10229	0.4
505.09970	0.3
591.13342	0.3
609.14758	1.3
636.08142	0.2
651.15625	60.7
652.15961	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	653.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38790	0.3
53.49259	0.4
57.03452	0.4
59.01381	3.0
61.98824	0.7
65.00310	0.6
67.01886	0.6
70.70712	0.7
71.01384	0.9
72.99297	0.5
73.02944	0.5
77.56616	0.3
87.00886	0.7
88.98804	0.4
93.03441	2.4
96.96006	0.9
98.20275	0.5
101.02462	0.6
109.02949	1.7
111.00864	0.4
115.00368	0.4
116.92817	0.7
119.05017	0.5
121.02952	7.9
123.00876	0.5
123.04465	0.7
125.02431	0.4
130.00717	0.4
131.47498	0.4
132.02213	0.4
134.03719	1.3
135.04527	4.4
136.01703	0.5
136.57584	0.3
137.02429	7.2
138.03226	3.2
139.03976	1.0
147.04535	0.8
149.02437	38.3
150.02974	1.3
151.04010	2.1
152.01152	7.7
161.02563	0.5
162.03212	1.1
163.04010	7.7
164.01178	0.7
164.04793	26.4
165.01918	45.0
165.05186	1.2
166.02704	14.5
167.03456	1.7
169.05049	3.1
173.02524	0.4
173.04568	0.8
175.00609	0.4
175.02451	0.9
177.05566	1.3
178.02753	0.6
179.03513	10.3
179.07121	8.9
180.04274	27.5
181.05054	22.3
182.05386	1.1
183.06573	0.7
190.02742	0.7
191.03496	0.6
191.05609	0.4
193.01404	20.7
193.05032	0.6
194.01715	0.4
194.05858	1.4
195.02975	1.6
195.06612	33.7
196.06999	1.0
201.11324	2.1
205.05022	1.5
206.05881	1.1
207.03020	2.3
208.03757	43.3
209.04120	1.9
209.11795	2.4
210.05316	6.7
211.06097	23.7
212.06371	0.9
217.10858	0.4
221.08148	0.9
222.05341	3.0
223.06100	100.0
224.06487	4.2
225.07671	27.5
226.08011	1.1
227.12868	0.9
237.07602	2.6
245.13814	0.9
250.04720	0.6
253.05125	0.4
265.07147	8.3
290.19763	0.3
299.05667	0.9
299.09036	0.5
327.08719	1.8
342.11133	1.1
357.13638	0.9
401.12405	3.3
402.12778	0.4
411.07318	0.4
449.14499	56.6
450.14719	5.1
491.15826	2.0
593.18506	0.4
653.21051	8.4
654.21417	1.0
681.59576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48844	0.3
57.01672	0.3
61.98805	0.4
62.96398	0.7
64.70789	0.3
78.95900	100.0
96.96954	0.5
104.54455	0.4
114.15137	0.3
149.00085	4.8
152.99567	0.8
158.92538	0.3
179.01134	0.4
189.84642	0.3
205.15950	2.4
255.23190	0.6
285.12518	3.9
311.45816	0.3
321.16962	0.5
355.16660	2.7
359.22787	0.3
385.17752	0.9
417.12692	0.4
447.13388	5.6
448.13736	0.5
468.70319	0.4
653.30029	58.7
654.30420	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	653.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96384	0.5
70.42304	0.2
71.28677	0.4
78.95901	100.0
80.33788	0.2
95.57803	0.2
96.96999	0.2
122.28480	0.2
149.00085	4.5
179.01129	0.5
205.15964	2.3
277.21695	0.2
278.62631	0.2
285.12604	4.2
286.12964	0.2
355.16800	2.4
356.17062	0.3
385.17874	1.2
399.43225	0.2
417.12250	0.3
447.13397	5.5
448.13638	0.6
542.09100	0.2
567.20972	0.2
612.33667	0.2
653.30060	57.0
654.30402	9.1
654.41559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.8
57.03428	1.1
58.00578	1.4
59.01379	36.8
61.98828	4.7
62.35118	0.4
66.10419	0.3
66.57045	0.3
68.99827	0.5
69.03449	2.2
71.01378	34.1
71.53171	0.5
72.99311	2.6
73.02946	4.9
75.00858	1.0
78.95879	0.6
81.03468	1.9
83.01379	4.3
85.02946	7.3
86.00056	0.4
87.00875	8.7
89.02441	30.1
91.04011	0.6
93.03447	0.3
94.49548	0.4
95.01382	3.0
97.02946	5.9
99.00872	2.2
101.02437	29.5
102.02740	0.5
103.00317	0.3
109.02977	0.5
111.00829	0.4
111.04514	1.3
112.01653	0.4
113.02444	13.7
115.04002	0.8
119.03497	8.9
121.02975	0.6
123.04525	0.5
124.01650	0.4
125.02443	11.4
127.03979	0.5
131.03487	1.7
133.05055	1.4
137.02519	0.4
139.03990	0.7
141.01961	0.6
143.03494	5.7
149.04507	0.8
149.55438	0.3
152.99622	0.8
161.02423	1.0
161.04538	6.2
161.05855	0.4
167.03522	0.9
169.04999	0.5
179.05603	5.9
192.00465	0.3
199.06166	0.3
203.05569	0.4
217.07166	1.1
219.05040	0.3
221.06662	2.2
235.08205	14.6
236.08545	0.5
245.06599	0.5
253.09268	3.8
255.23268	99.4
256.23611	6.9
263.07654	1.1
269.24930	0.7
277.09259	1.0
287.07690	3.9
297.24231	0.3
305.08734	4.3
311.16913	1.1
323.09885	2.1
361.11398	0.8
379.12354	1.5
397.13467	100.0
398.13757	6.6
415.14532	33.5
416.14813	2.5
475.75540	0.4
508.65854	0.3
653.37506	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35734	1.6
59.01377	93.2
61.98814	7.3
69.21372	14.8
71.01373	2.9
72.21633	1.4
72.99296	2.3
81.37562	1.4
88.98797	2.7
89.02454	2.1
93.03440	5.4
96.96024	2.7
101.02481	2.4
103.00383	2.7
106.06605	6.8
116.92867	2.5
119.04990	7.7
120.82056	1.6
121.05350	21.5
122.06105	5.2
132.04539	27.9
133.02966	2.0
134.06120	61.2
135.04500	5.2
136.07684	7.6
137.02429	4.3
144.04546	13.9
146.06157	1.8
149.04771	3.0
150.05579	2.5
152.07175	4.7
153.05510	2.2
158.02484	2.5
158.06064	6.7
160.04044	5.8
161.02423	4.3
162.05612	6.0
163.03993	6.2
173.04601	5.4
176.03503	15.8
177.01927	3.2
179.03529	2.1
179.05539	2.0
181.05029	4.4
188.03523	3.7
190.05080	12.9
190.58730	1.5
191.05788	5.1
192.06601	2.2
194.08186	8.0
202.05119	4.8
203.05826	7.3
204.06613	4.7
209.11880	1.8
221.07222	1.7
223.08705	2.2
235.08635	7.4
236.09627	3.4
237.10315	2.8
239.08121	3.5
247.02596	1.4
249.06641	1.9
249.10300	8.9
250.11151	3.9
251.08063	3.1
251.11852	18.6
252.12413	1.7
263.08246	8.7
264.08923	4.4
264.76819	1.5
265.09698	4.2
265.13596	1.8
266.10489	2.7
277.09732	6.7
278.07516	1.9
278.10559	6.2
279.07690	4.9
279.11353	37.1
280.08469	6.1
280.11594	3.4
291.07675	2.7
292.08603	2.5
293.09375	4.7
294.10092	6.6
295.10770	14.7
297.12469	2.4
305.09314	8.8
306.10071	5.6
307.11002	2.8
309.09048	2.9
309.12314	11.7
310.13141	3.5
323.10358	69.5
324.10742	6.9
327.13113	1.7
337.11823	19.1
338.08771	2.8
338.12628	22.0
339.13202	3.0
341.11563	7.6
354.12268	4.7
355.13153	2.0
358.15710	2.9
370.11691	6.2
382.15805	1.8
383.12402	26.4
383.16812	3.2
384.13110	2.7
385.14224	2.0
386.14951	5.3
397.13992	16.4
398.14709	40.2
399.15311	5.1
427.15317	4.5
430.13757	46.8
431.13882	3.0
442.17657	3.6
474.20209	13.0
475.20883	2.2
502.19504	4.6
506.22903	66.3
507.23315	9.6
518.19080	1.9
519.89496	1.8
524.23828	2.4
534.22510	21.3
535.22845	2.7
546.18823	2.1
550.22095	3.6
566.24994	55.1
567.25647	7.1
568.23254	3.4
578.21478	28.5
579.21826	3.9
610.23993	100.0
611.24078	13.7
616.94769	1.7
655.33105	5.2
677.28644	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	655.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
61.98825	0.6
65.19481	0.2
69.03471	0.2
71.01379	0.5
71.52312	0.3
72.99300	2.0
83.05035	0.3
89.02422	0.2
93.03460	0.6
101.02441	0.2
105.03424	0.2
107.05035	0.2
108.02171	0.3
109.02954	2.3
117.03456	0.4
119.05024	5.5
120.05399	0.4
121.02950	0.6
123.04528	1.2
123.05272	0.2
131.41856	0.2
132.02177	0.7
133.02950	18.4
134.03281	0.5
135.04520	11.5
136.04854	0.3
137.02390	0.3
145.02962	1.0
146.03688	0.3
147.04488	0.3
149.02435	2.3
150.03239	1.2
152.01175	0.2
153.01889	0.2
153.05548	1.2
159.04506	0.4
161.02435	100.0
162.02768	3.8
163.04007	10.0
164.04321	0.2
171.10262	0.3
173.02422	0.3
174.03209	0.7
177.01950	0.4
179.03488	4.4
181.05055	22.6
182.05348	0.7
187.14891	0.3
191.10756	0.4
197.04584	0.5
197.11775	0.4
207.10228	0.3
209.06107	0.2
209.11815	4.8
211.07680	0.3
211.13434	0.5
221.05995	0.3
227.12802	0.3
231.13869	0.3
237.05579	0.3
238.06178	0.2
239.07144	0.6
249.05623	0.3
250.06386	0.7
253.09084	0.4
254.05800	0.3
255.06645	0.4
266.05768	0.4
267.06586	8.6
268.07117	0.4
283.06070	2.2
293.04523	0.6
311.05588	13.6
312.06097	1.0
313.07117	1.1
325.06958	0.2
327.21680	1.1
329.07037	0.3
336.14813	0.2
337.03577	1.0
343.08194	31.4
344.08594	2.3
383.22330	0.3
389.74176	0.2
401.23386	0.3
475.10251	1.2
505.11545	0.3
509.10681	0.9
637.31848	1.6
655.15393	0.3
655.33191	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24959	0.3
58.77613	0.3
59.01369	1.0
61.98815	1.4
69.26611	1.7
69.27038	0.9
71.01377	0.5
72.99298	2.1
78.89608	0.3
88.98808	0.3
93.03442	0.9
98.19904	0.5
105.03436	0.5
109.02946	2.4
115.45300	0.3
119.05011	4.9
121.02945	1.0
123.04536	0.3
132.02148	0.6
133.02948	18.1
134.03702	0.3
135.04510	9.5
136.04819	0.5
145.02959	0.8
149.02423	4.2
150.03214	4.3
150.06802	0.5
159.04561	0.3
161.02428	100.0
162.02773	4.1
163.04002	10.0
164.04320	0.5
171.10291	0.5
172.44926	0.3
173.02361	0.3
173.04463	0.3
174.03023	0.3
177.01921	3.7
179.03476	3.6
181.05049	22.6
182.05305	0.4
205.12396	0.4
207.10289	0.4
209.11760	1.6
211.07596	0.3
211.13364	0.7
221.06180	0.4
224.04935	0.3
227.13019	0.3
239.07211	0.5
249.05675	0.3
250.06183	0.3
255.89226	0.3
267.06589	8.1
268.07184	0.8
269.47211	0.3
283.05963	1.5
293.04776	0.5
296.42825	0.3
311.02066	0.6
311.05588	11.4
312.06174	1.1
313.07172	1.9
324.48874	0.3
343.08173	35.8
344.08569	2.5
359.07578	0.5
407.27820	0.3
407.55392	0.3
420.82321	0.4
475.10129	0.9
505.11490	0.4
592.94995	0.3
611.34363	0.8
637.31824	0.8
655.32996	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28345	0.2
55.42263	0.3
58.46677	0.2
59.01380	1.1
60.99302	0.3
61.98824	0.7
67.71282	0.2
69.71515	0.5
69.71938	0.8
71.01380	0.8
72.99303	2.8
73.02996	0.2
86.92560	0.2
88.98834	1.4
93.03453	1.9
96.96020	0.5
98.19894	0.3
99.04523	0.2
101.02438	0.6
107.05041	0.3
109.03004	0.2
116.92863	0.4
117.03464	16.7
118.03803	0.4
119.05023	35.5
120.05407	1.0
121.02936	1.0
123.04503	0.4
125.02511	0.4
134.03720	0.7
135.04523	12.3
136.04829	0.4
137.02461	0.4
143.05046	0.4
145.02948	100.0
146.03299	3.5
153.05496	0.3
161.02425	0.6
163.03998	22.0
164.04353	0.6
170.56717	0.2
171.04466	0.3
173.04555	0.5
177.01949	0.7
179.03499	3.7
181.05057	45.0
182.05347	1.8
188.17314	0.2
208.03630	0.3
209.11815	0.9
222.06859	0.7
223.07645	8.4
224.08113	0.4
237.09151	1.4
247.07613	1.8
265.08658	1.7
269.18719	0.3
283.09647	0.6
291.06647	1.7
309.07657	11.5
310.08002	0.8
327.08722	19.3
328.09073	1.3
331.19025	1.3
331.24887	0.3
345.20709	0.3
349.20154	0.3
429.13428	1.3
447.14157	0.3
473.12537	0.9
491.13327	0.4
565.23279	0.3
593.12756	0.3
655.27197	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63049	0.7
57.03448	4.3
58.00551	0.8
59.01382	3.5
61.98821	3.3
66.85316	0.6
69.03458	1.9
69.50033	4.5
71.01387	2.4
72.99315	0.9
81.03466	0.9
83.05037	1.5
86.61608	0.7
88.98750	0.7
89.02444	1.1
96.96024	4.7
97.06607	0.6
97.74520	0.6
101.02426	1.4
113.09725	13.3
125.09702	7.2
127.11288	5.3
133.02971	1.4
135.04520	3.2
137.09727	1.5
139.11301	0.9
141.09219	1.4
151.11244	2.1
153.09218	2.0
155.10771	3.7
161.02464	4.0
163.11275	1.8
165.09193	2.2
165.12833	1.6
171.10263	5.7
179.03430	0.7
181.12370	1.9
183.10294	1.4
191.10750	2.6
195.10291	2.0
197.11780	0.9
199.09749	2.2
201.11319	48.9
202.11670	2.9
207.10349	0.9
209.11821	45.6
210.12149	2.9
211.13251	1.5
213.11317	28.4
214.11726	1.4
225.11281	1.2
227.12856	5.4
235.08173	0.9
247.13664	0.9
247.20702	0.8
253.09268	2.3
291.19745	5.3
309.20718	7.2
311.05569	0.7
327.21759	100.0
328.22101	7.4
401.23648	1.0
445.20706	3.1
605.79639	0.8
637.32440	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	655.4429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	4.4
59.01370	4.3
61.98823	3.6
64.78435	1.0
65.08051	1.0
67.77590	1.0
71.52380	1.7
78.95866	1.5
83.05013	1.6
88.98796	1.4
94.11526	1.0
95.04996	1.3
96.96007	4.4
101.02462	1.8
102.52000	1.2
104.80905	1.0
105.28233	1.1
109.06514	1.1
113.09713	11.7
125.09724	4.1
127.11253	5.9
133.02914	1.6
135.04489	2.9
137.09694	1.8
141.09270	1.4
151.11290	1.7
155.10794	2.1
159.04234	1.2
161.02458	6.8
165.09196	3.2
171.10231	5.4
179.03471	2.6
191.10768	2.9
195.10291	3.2
201.11322	46.4
202.11722	1.6
209.11816	50.4
210.12166	3.4
211.13347	3.6
213.11317	28.7
214.11649	1.4
225.11232	2.1
227.12906	5.9
235.08199	1.2
253.09227	3.4
278.00876	1.3
291.19611	6.0
309.20691	5.8
311.05551	1.2
314.90265	1.3
327.21744	100.0
328.22119	8.2
406.65292	1.1
427.19247	1.1
445.20477	3.1
450.91174	1.1
470.24500	1.2
487.71625	1.3
637.32117	1.5
655.32678	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	657.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.54591	0.2
69.58260	0.3
70.78585	0.3
70.78959	0.3
71.01382	1.7
73.02954	0.6
81.03451	0.3
85.02940	1.5
93.03486	0.4
95.01369	1.2
101.02437	0.6
102.14271	0.3
108.02169	42.3
109.02959	15.8
113.02448	0.9
116.97575	0.3
121.02930	0.5
121.34148	0.3
123.00900	0.8
123.04526	1.7
135.00836	0.3
151.03970	1.6
152.01147	39.7
153.01936	21.0
153.05507	2.7
163.03979	0.9
165.01918	0.9
195.02902	0.3
210.98402	0.3
238.85455	0.3
278.87097	0.4
315.07193	100.0
316.07584	5.7
341.10458	0.4
567.35687	0.3
576.50061	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.1
69.93810	2.7
71.01376	1.7
96.96003	0.7
98.20634	1.1
99.04523	0.7
101.02444	1.0
103.00337	1.1
109.02968	1.2
112.98836	0.7
115.04031	0.7
123.00914	1.3
123.04525	1.5
124.01629	2.3
125.02414	0.6
135.04436	1.0
137.02417	2.0
139.04025	4.4
142.53355	0.6
145.02959	2.1
147.04535	1.5
151.00372	10.8
151.04015	1.1
152.00940	1.1
153.05565	2.7
160.01576	0.9
160.26546	0.6
161.02458	1.8
161.08238	4.6
163.04004	2.4
166.02718	37.7
167.03398	2.1
173.02438	1.9
173.04520	1.8
174.01678	1.7
174.03204	1.6
175.03978	6.2
176.04860	1.3
177.05586	2.2
178.06300	1.8
181.05067	59.1
182.05397	2.3
188.04767	2.6
189.05531	1.3
190.06346	5.5
191.07048	0.9
193.05035	5.4
194.05759	1.3
197.04549	1.0
203.07274	0.7
203.09138	1.1
205.08694	6.2
206.08998	0.9
207.06628	1.8
208.07359	4.3
223.09760	17.4
269.04614	2.4
284.06909	1.7
294.05249	0.9
297.04065	9.9
298.04266	0.7
299.09357	0.8
309.07642	1.1
312.06378	15.6
313.06738	0.9
327.08749	23.5
328.09009	2.5
341.08832	0.6
342.11066	40.6
343.11401	3.6
351.12811	1.2
357.13409	66.2
358.13776	4.7
375.14481	13.0
405.15521	100.0
406.15860	10.3
413.58112	0.7
417.15598	8.3
418.15674	1.0
435.16586	14.5
436.17047	1.9
567.20776	3.7
568.20618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.236
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36584	0.9
59.01374	1.3
59.79992	0.9
60.88083	1.0
61.98836	4.7
65.69719	1.0
71.10140	1.4
71.10490	1.2
73.02917	2.1
75.00858	1.3
78.95927	1.1
100.62234	0.9
102.53767	1.0
120.84490	1.1
130.56316	1.0
156.22792	1.2
169.19131	1.0
224.48810	1.0
292.38074	1.0
304.96204	1.0
426.77948	1.1
441.19388	2.2
459.20108	1.4
465.19116	1.8
469.22363	3.0
479.21115	1.7
493.18976	1.7
496.17325	4.7
497.18085	1.6
507.20294	1.4
509.17935	1.9
510.18790	1.1
512.16901	12.6
513.17401	2.4
514.18500	1.7
523.19659	2.9
524.20697	1.2
528.16248	5.0
536.17035	4.4
537.17133	1.4
551.18958	2.1
555.19159	9.4
556.19281	4.1
585.19830	3.1
627.20721	4.1
628.21399	1.2
659.23572	100.0
660.23877	22.6
660.62299	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.5
71.36704	0.4
78.95883	0.5
87.78603	0.4
152.99586	0.4
212.82558	0.3
261.22180	1.3
295.82822	0.3
307.22766	100.0
308.23096	7.8
422.76917	0.3
445.50293	0.3
505.49121	0.3
530.61847	0.3
555.18933	0.4
659.23181	2.2
660.23749	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14297	0.2
54.41665	0.1
61.98827	0.9
63.61696	0.2
77.03984	0.5
93.03453	0.8
95.01400	0.6
95.05030	0.8
105.03489	0.5
109.02961	0.5
115.61261	0.2
121.02952	3.7
123.04531	0.7
127.80227	0.2
132.02148	1.7
133.02956	25.9
134.03264	0.9
135.04517	2.3
149.02434	34.5
150.02956	1.1
151.04015	2.3
161.02435	100.0
162.02779	3.7
163.03914	0.2
183.22171	0.2
198.49432	0.2
224.51715	0.2
264.27353	0.2
267.06601	3.3
268.07028	0.2
275.28482	0.2
311.05554	2.5
328.07690	0.2
349.27509	0.2
433.61624	0.2
481.29532	0.4
499.30264	0.3
585.52911	0.2
607.94794	0.2
661.34058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	16.4
58.00583	0.3
58.03738	0.2
59.01379	4.0
61.98810	0.3
70.17825	0.7
71.01373	1.7
71.05001	0.5
72.72222	0.2
73.02927	0.8
81.03461	0.5
82.54476	0.2
83.01380	0.4
83.05002	0.3
85.02948	0.5
89.02422	0.4
90.90467	0.2
93.50864	0.2
95.05028	0.2
96.95996	0.5
97.06585	1.3
99.04518	8.0
101.02438	5.0
104.55376	0.2
109.15935	0.2
113.02454	1.0
116.92861	0.3
123.04483	0.6
123.08204	0.3
125.02443	7.1
125.09692	0.3
125.35946	0.2
138.71037	0.2
143.03430	0.4
153.12787	0.8
155.10844	0.2
158.71120	0.2
159.23772	0.2
161.02373	0.2
161.04549	2.8
179.03273	0.2
183.17564	0.5
191.05573	0.2
197.11761	0.8
201.11386	0.2
203.05603	0.6
209.11815	0.5
212.35564	0.2
227.16516	1.9
239.16516	1.8
241.18085	0.3
259.29019	0.2
263.07715	0.5
295.22803	1.1
305.08759	5.8
306.09058	0.3
307.22754	0.9
309.24298	0.7
319.22687	0.7
323.09637	0.2
325.23798	10.7
326.24103	0.8
337.19983	0.4
337.23843	5.7
338.24084	0.5
355.24866	100.0
356.25211	7.8
369.26266	0.4
397.25830	1.8
440.46017	0.2
517.30310	0.3
559.31128	0.3
601.06555	0.2
661.34430	6.5
662.34161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	29.9
61.98828	3.2
71.01385	42.6
73.02944	9.7
76.66911	2.2
78.95901	58.2
79.95745	3.4
80.96514	32.2
82.96102	3.5
83.01370	7.2
85.02941	12.4
87.00871	51.9
89.02446	30.4
94.98080	5.8
95.01392	3.1
96.95959	3.0
96.96996	3.2
97.02912	2.4
101.02446	22.8
113.02447	30.1
119.03511	9.3
122.97577	2.8
125.02417	2.9
141.01906	4.3
143.03493	7.9
152.98547	3.4
152.99597	36.2
159.03146	2.7
161.04617	11.7
164.98639	7.4
171.00618	29.4
171.52078	2.7
179.05611	10.6
185.54947	2.5
225.00703	10.7
273.22195	5.9
277.21698	100.0
278.22025	7.3
279.22931	3.2
291.23294	24.7
306.99841	2.6
319.22818	13.9
323.09824	44.7
341.10858	87.1
342.11176	4.8
433.23236	7.5
470.85303	2.9
507.27432	2.7
577.26831	61.5
579.26953	15.6
601.32208	22.3
661.27435	16.0
662.25806	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	663.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	15.2
58.03777	0.2
59.01375	3.7
71.01384	1.0
71.04976	0.2
71.11880	0.2
71.12224	0.3
72.99285	0.2
73.02929	0.5
81.03432	0.4
83.01374	0.4
85.02935	0.4
96.96003	0.5
99.04517	7.5
101.01819	0.3
101.02438	4.8
113.02414	0.7
116.92835	0.5
121.10204	0.6
123.04488	0.7
125.02444	6.4
126.02712	0.3
135.04550	0.4
142.38203	0.2
143.03412	0.6
144.72729	0.2
153.05612	0.4
161.04533	2.3
168.57364	0.2
185.11775	0.7
199.13379	2.1
203.05562	0.9
213.14948	0.6
234.10181	0.2
297.24380	0.7
305.08734	6.0
306.09125	0.5
309.24347	0.9
311.25879	0.5
321.24402	0.3
323.09760	0.2
325.23770	0.5
327.25381	8.8
328.25635	0.7
339.25348	5.3
340.25729	0.5
355.24802	0.3
357.26422	100.0
358.22272	0.5
358.26773	9.7
371.28091	0.5
399.27408	1.6
439.14847	0.2
460.22339	0.2
505.54181	0.2
519.31708	0.5
663.36035	9.5
664.36572	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	663.3596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	37.0
58.03791	2.6
59.01102	2.5
59.01376	25.0
61.98825	4.0
70.62020	4.4
71.01383	11.5
72.99300	2.2
73.02950	5.4
78.95889	1.4
81.03455	2.1
83.01385	3.8
85.02960	4.9
87.00877	1.7
87.47839	1.5
89.02418	2.1
96.96013	3.1
97.06585	1.5
99.04518	13.4
100.04860	1.7
101.02428	13.1
109.02935	1.5
112.12929	1.4
113.02444	4.9
115.92107	2.0
116.92870	7.8
119.05068	1.6
123.04536	2.9
125.02425	12.7
133.03004	2.0
135.04550	3.2
141.12865	1.7
153.05592	4.0
161.02454	3.4
161.04541	8.3
171.10297	2.2
173.04521	3.6
185.11890	4.0
191.05544	1.6
209.11832	3.7
217.56447	1.6
263.07816	1.9
278.19595	1.5
296.23138	1.6
305.08823	5.4
306.09171	2.0
307.09064	2.6
309.24414	1.6
325.23831	3.9
326.24078	3.2
327.25333	9.9
339.25314	12.1
341.26971	4.4
355.24887	24.8
356.25211	26.5
357.26257	100.0
358.26666	10.1
399.26941	2.6
445.25937	1.6
501.30725	4.2
518.11688	1.6
519.31775	52.4
520.32111	6.1
561.32751	27.1
562.33203	3.7
601.35736	6.6
602.36469	2.3
663.24261	2.6
663.35815	51.6
664.36102	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	664.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88806	0.2
54.33182	0.2
54.50357	0.2
57.77675	0.2
57.91599	0.3
61.98828	100.0
62.17363	0.2
69.29240	1.9
71.00788	0.2
79.34728	0.2
94.87939	0.2
146.02074	0.2
206.09128	0.2
289.18011	0.5
293.06195	0.3
405.45035	0.2
408.90231	0.2
500.03909	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4064
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08299	0.3
54.45177	0.3
61.98828	100.0
71.15528	0.5
76.76810	0.3
87.94429	0.3
88.87056	0.3
106.76000	0.3
129.97015	0.3
133.02959	0.3
145.44205	0.3
149.02432	0.3
161.02475	1.2
162.02774	0.8
199.13394	0.7
223.88831	0.3
251.13100	0.3
376.62671	0.3
481.96320	0.3
643.90662	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.6
59.01373	2.9
60.53099	0.4
61.98830	1.0
65.03944	0.6
67.01888	1.8
69.03455	0.6
69.15799	0.5
69.16436	3.9
71.01376	2.6
72.99297	0.6
73.43713	0.5
83.05051	1.1
85.02948	7.3
87.00874	1.3
93.03455	12.7
94.03826	0.6
96.96022	2.3
99.04511	0.9
99.92615	0.6
101.02413	0.6
107.05035	1.8
108.02161	0.7
109.02936	3.8
111.00894	0.6
111.04537	3.1
113.02457	0.7
115.92112	0.5
116.92862	1.3
117.03470	0.7
119.05022	0.7
121.02952	1.1
123.04518	1.3
125.02486	0.7
127.04044	2.8
133.02946	7.4
134.03748	5.1
135.04523	77.8
136.04849	2.4
137.02454	3.7
145.02939	0.7
149.02449	6.4
150.03242	3.4
152.01123	0.7
153.05621	0.7
155.03456	2.8
161.02437	18.1
162.02798	1.0
167.03604	0.5
170.86302	0.5
171.02971	0.8
173.04536	47.8
174.03340	0.9
174.04874	1.6
177.01906	2.4
178.02682	1.0
179.03487	81.4
180.03868	4.0
181.05066	0.5
191.05598	99.3
192.05901	2.6
199.66734	0.5
200.99794	0.4
209.11809	0.5
210.45213	0.5
237.05382	0.6
242.23514	0.5
250.06129	0.9
261.54852	0.5
267.06604	9.0
268.07071	0.8
283.06198	1.3
311.05588	14.8
312.06067	1.4
341.06665	1.2
351.07233	3.7
352.07831	1.5
353.08740	100.0
354.09076	6.9
359.23941	0.6
428.96500	0.5
485.10757	1.2
491.10114	1.9
503.12430	0.5
515.11859	1.9
665.15009	7.8
665.35419	0.9
666.15338	1.6
679.31555	0.5
682.39905	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01367	2.4
60.99311	0.5
67.01881	3.5
69.03458	0.5
69.27933	3.4
71.01379	3.1
81.03448	1.0
83.05025	1.3
85.02944	4.8
87.00884	1.0
93.03456	22.6
94.03786	0.4
95.01391	0.6
96.26569	0.3
96.96047	0.4
99.04500	0.8
105.03488	0.6
107.05058	0.6
109.02950	3.7
111.00886	1.1
111.04516	3.9
121.03017	0.9
123.04567	0.6
127.04012	1.6
133.02956	7.2
134.03751	2.2
135.04527	63.5
136.04849	2.0
137.02460	5.3
149.02432	6.6
150.03177	1.2
155.03516	5.8
159.04443	0.4
161.02443	16.2
162.02831	0.6
173.04543	100.0
174.04910	2.6
177.01900	1.1
179.03491	66.2
180.03828	3.0
191.05605	44.4
192.05981	1.5
201.01949	0.4
202.02626	0.6
203.03513	0.6
211.04454	0.4
211.07639	0.4
239.07109	0.5
249.05453	0.5
250.06233	0.8
255.06403	0.5
266.05762	0.8
267.06604	10.4
268.06985	1.2
283.06113	2.3
311.05579	18.8
312.06033	1.4
351.07236	3.4
352.07797	0.5
353.08743	88.2
354.09061	7.8
460.39084	0.4
485.11044	1.5
491.09738	1.1
503.12082	1.1
515.11627	0.7
521.33514	0.6
665.14655	3.6
665.36713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13187	0.4
57.03436	1.0
59.01370	2.3
60.99281	0.5
61.00661	0.5
67.01885	4.1
69.03432	0.7
71.01388	3.1
81.03455	0.7
83.05028	1.0
85.02950	4.6
87.00895	1.1
93.03455	20.6
99.04489	0.5
107.05004	0.6
108.98160	0.4
109.02965	3.6
111.00883	0.6
111.04521	4.3
113.02444	0.7
116.92840	0.6
117.03394	0.5
119.75243	0.4
120.75923	0.4
121.02994	0.6
127.04015	1.5
129.01862	0.5
133.02948	4.0
134.03738	2.0
135.04520	61.8
136.04855	2.3
137.02431	3.9
149.02452	4.1
150.03226	3.8
151.03911	0.4
155.03471	5.1
161.02435	12.9
162.02705	0.6
168.05737	0.5
173.04536	92.9
174.03365	0.6
174.04837	2.8
177.01949	0.6
178.02681	0.8
179.03487	63.3
180.03842	2.5
191.05597	42.9
192.05966	1.8
247.41373	0.5
267.06592	6.6
268.07178	1.2
283.06058	1.0
297.07904	0.4
311.05612	11.1
312.06238	1.0
341.06638	0.5
351.07254	3.4
352.07932	1.6
353.08734	100.0
354.09131	6.5
485.10751	1.5
491.09872	1.6
515.11993	2.3
665.15381	3.8
665.35754	0.9
666.15302	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21423	0.3
53.13161	0.3
56.49129	0.3
57.03447	1.7
58.00603	0.4
59.01384	3.3
61.98811	0.7
67.01885	3.0
69.03447	0.8
71.01379	3.6
71.12149	0.6
72.99299	0.6
73.02946	0.5
81.03457	1.0
83.01431	0.4
83.05035	0.8
85.02946	4.6
87.00897	0.9
93.03454	21.1
94.03781	0.7
95.01412	0.4
96.95988	1.8
97.02903	0.3
98.95602	0.8
99.00864	0.4
99.04523	0.5
99.92581	1.3
101.02435	0.8
107.05046	0.8
108.02158	0.7
109.02947	3.4
111.00912	0.7
111.04525	4.8
113.02486	0.6
115.92069	1.1
116.92869	3.1
117.03459	0.3
121.02988	1.0
123.04528	0.8
127.04034	1.4
127.37594	0.3
131.07542	0.3
133.02957	4.5
134.03741	2.1
134.04584	0.3
135.04521	60.5
136.04852	2.2
137.02444	5.6
145.02930	0.7
149.02446	4.9
150.03236	3.9
153.05540	0.6
155.02283	0.5
155.03500	5.2
161.02431	13.8
162.02872	0.4
173.04539	96.5
174.03400	0.6
174.04851	3.1
175.03960	0.5
177.01917	0.6
178.02673	0.6
179.03488	66.3
180.03815	2.9
191.05602	45.9
192.05965	1.0
195.38695	0.3
201.01976	0.4
203.03456	0.3
216.47371	0.3
227.03648	0.4
235.97972	0.4
239.07077	0.4
249.05673	0.4
250.06308	0.5
255.06680	0.4
260.01291	0.3
266.05978	0.3
267.06622	7.5
268.07001	0.8
283.06097	1.1
311.05579	12.4
312.06137	1.5
335.07852	0.3
335.22446	0.6
341.06619	0.9
351.07263	4.3
352.07913	2.2
353.08740	100.0
354.09076	7.7
485.10794	1.8
491.09778	2.0
503.31979	0.8
515.11908	2.9
520.31805	0.9
521.32996	1.3
665.15106	8.1
665.26208	0.7
665.36548	1.4
666.15601	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	665.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.1
58.00606	0.2
58.63477	0.2
59.01376	4.1
61.98829	0.4
64.06460	0.2
67.01895	0.2
68.99845	0.2
69.03490	0.3
69.67189	1.2
71.01387	1.4
72.99317	0.4
73.02956	1.1
81.03455	0.5
83.01387	0.5
85.02952	0.4
89.14571	0.2
93.03481	0.3
95.63361	0.2
96.96023	0.8
97.06592	0.4
99.04520	10.3
101.02443	4.4
109.02950	0.5
111.08205	0.2
113.02462	0.8
123.04543	0.7
123.08176	0.3
125.02447	7.9
125.09737	1.9
127.11269	0.2
133.02969	0.3
135.04543	0.9
141.12894	0.2
143.03543	0.6
153.01913	0.2
153.05484	0.2
155.10858	0.3
161.02501	1.0
161.04536	2.4
173.04515	0.9
179.03517	0.7
184.68254	0.2
185.11830	0.3
187.09795	1.3
191.05559	1.0
203.05557	0.5
208.65771	0.2
209.11841	1.0
224.56429	0.2
243.08676	0.3
253.09233	0.2
263.07538	0.3
271.22778	0.4
295.22693	0.4
297.24423	0.3
305.08759	5.1
306.08960	0.3
309.24048	0.3
311.05698	0.5
311.22336	0.5
311.25854	0.7
313.23810	4.5
327.25375	0.3
341.26984	3.8
342.27100	0.3
353.08646	0.6
357.26413	0.7
359.28012	100.0
360.28357	9.4
363.76819	0.2
373.29544	2.0
374.30136	0.3
401.29129	1.7
402.29614	0.3
423.18433	0.2
463.21185	0.2
481.22272	0.2
555.83563	0.2
615.30463	0.2
633.31299	2.7
634.31433	0.3
665.29108	0.3
665.37494	9.1
666.38165	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	667.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28940	0.3
57.03438	0.9
59.01369	1.9
61.98814	0.9
66.94914	0.3
67.01884	0.5
71.01373	1.5
71.06637	0.6
71.06973	0.3
72.99291	0.5
73.02955	0.4
80.55133	0.3
83.01379	0.7
85.02943	1.1
93.03446	3.5
94.03789	0.9
96.96000	0.8
99.04557	0.4
101.02451	0.6
108.02155	0.4
109.02955	3.5
111.04526	0.7
113.02429	0.4
116.92878	0.4
119.05008	0.3
121.02946	0.3
123.04492	1.5
125.02432	0.7
133.02974	2.4
134.03723	0.6
135.04512	10.3
136.04846	3.0
137.02464	0.9
139.03972	0.3
145.02899	0.7
149.02399	2.3
150.03064	0.6
152.01146	0.4
153.01952	2.4
153.05550	1.4
155.03535	0.7
155.04994	0.6
156.03932	0.4
161.02438	8.1
162.02733	0.9
171.04556	0.4
173.04543	13.6
173.06056	0.7
174.03322	0.8
174.04846	4.6
175.05043	1.8
177.01869	1.3
179.03485	11.2
180.03831	3.7
181.03963	1.4
183.04492	0.7
185.06096	0.4
191.05592	6.1
192.05931	2.1
193.06268	1.0
196.05287	1.0
197.06123	0.8
198.03212	0.7
199.03984	3.0
201.01765	0.4
202.02570	0.5
209.06088	2.5
209.11844	0.5
210.03145	0.4
211.03984	4.0
211.07536	1.3
212.04570	0.7
213.05569	0.5
220.05235	0.7
221.06079	1.6
222.06728	0.5
223.04179	0.5
224.04790	2.3
225.05490	2.5
226.02617	1.2
227.03476	27.0
228.04239	12.0
229.04646	0.6
232.05292	0.4
236.04813	0.4
237.05566	4.4
238.06299	1.9
239.03477	1.4
239.07076	3.1
240.04271	10.1
241.04953	1.4
242.02170	0.4
248.04729	1.4
249.05533	4.1
250.06216	1.7
252.04225	0.8
253.04985	1.6
254.05803	1.6
255.06537	2.2
264.04382	0.6
265.05011	4.0
266.05673	1.1
267.06589	14.6
268.04059	0.6
268.06915	1.9
269.04474	1.2
269.07184	0.5
280.03592	0.4
281.04614	1.5
282.05249	1.0
283.06088	4.4
284.06448	0.5
293.04581	1.3
294.05347	0.6
308.03329	0.5
309.04037	4.6
310.04733	2.4
311.05579	100.0
312.05905	9.5
313.06372	1.5
337.03577	0.4
351.06918	0.5
353.03574	0.7
353.08704	7.3
354.09088	7.3
355.04544	11.5
355.09290	5.6
356.05002	0.5
369.22556	0.3
397.13397	0.6
443.07980	1.5
473.08847	0.5
522.33759	0.9
523.34692	0.7
631.27936	0.6
667.15570	0.4
667.29724	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
61.98835	2.3
64.19262	0.3
70.74284	0.8
70.74655	0.7
71.01357	0.5
72.31937	0.4
72.99309	31.3
73.99620	0.3
84.28867	0.3
88.98792	0.6
93.03442	0.3
96.96004	0.9
97.06601	0.4
100.53909	0.3
108.02167	0.4
109.02951	0.6
116.92865	2.4
119.05041	0.5
121.02920	0.6
122.03711	1.1
123.04533	3.5
125.09705	0.8
133.02963	3.4
134.03714	1.4
135.04527	4.5
137.02452	1.7
137.06053	0.4
139.04027	0.4
146.03751	2.8
147.04544	3.2
148.05093	0.4
149.06064	0.7
150.03183	1.8
151.04030	1.0
153.01921	0.7
153.05574	3.2
153.09256	0.5
158.03700	0.8
159.04501	3.7
160.05170	0.7
161.02432	7.2
161.06058	0.7
162.03122	0.6
162.06873	1.8
163.07697	0.4
171.10222	1.6
172.05283	1.4
173.04613	0.7
173.06073	2.2
174.03192	0.8
174.06824	1.8
175.03984	0.8
175.07642	0.7
176.04724	0.5
177.01967	0.5
177.05522	0.5
178.02708	3.1
179.03539	1.9
183.04567	0.6
185.06073	0.8
186.06750	0.5
187.04010	0.6
187.07629	1.4
189.05536	0.8
191.10779	0.5
197.04497	0.9
197.06097	0.6
199.04051	0.6
199.07680	0.5
199.09816	0.7
200.04860	0.4
201.09303	0.5
201.11324	1.0
203.03436	0.7
203.10789	0.8
211.07843	0.4
211.21011	0.3
212.04822	0.5
213.11343	1.6
215.10751	1.4
215.12869	5.1
217.12268	0.9
227.03419	0.7
227.10791	4.1
227.12828	0.7
229.12305	1.8
231.13936	2.4
232.51721	0.4
233.11880	0.4
241.12355	0.8
243.13878	2.5
245.11650	0.5
253.05194	0.5
261.14969	0.4
269.11917	0.4
271.09723	0.7
271.13257	0.4
282.12869	0.4
309.20630	1.0
353.71783	0.4
359.14987	1.4
362.17233	2.4
374.17322	1.1
381.13290	0.6
395.22043	0.6
399.14499	0.8
400.15131	1.1
413.23221	1.4
416.88965	0.4
425.23218	1.2
427.21240	0.8
431.24469	2.6
443.24329	3.3
444.24557	0.8
461.25308	0.4
469.22314	4.2
470.22534	0.5
487.23285	1.0
505.24432	100.0
506.24734	13.5
577.26678	0.5
586.19861	0.4
631.31183	1.1
667.27783	4.9
668.27930	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.4
57.03447	3.7
59.01156	0.2
59.01376	1.9
65.03954	0.7
69.03442	0.5
71.05019	0.5
74.05116	0.2
83.01369	0.2
83.05013	4.1
85.02914	0.2
87.00873	4.9
93.03445	0.4
95.05008	1.2
96.96000	0.5
97.02929	0.3
98.03748	0.3
99.04520	0.3
101.06090	0.2
107.05024	0.4
107.08633	0.3
109.02983	0.2
109.06573	0.5
111.04526	2.1
111.08190	1.0
113.06074	0.5
119.08662	0.7
121.02879	0.2
121.06585	2.5
121.10174	0.2
123.08160	11.8
124.05276	0.7
124.08482	0.5
129.07106	0.4
133.06619	0.5
135.08144	0.5
137.06064	0.6
137.09726	2.0
138.06889	0.7
139.07605	1.9
143.08624	0.4
145.10219	1.6
149.09732	0.2
151.07632	1.9
153.09200	1.6
163.11298	0.3
165.09190	0.4
169.08694	0.8
169.10205	1.5
171.11787	15.0
172.12119	0.9
175.11256	0.4
185.09647	0.3
187.11244	0.3
189.12828	5.1
190.13167	0.3
201.12828	5.6
207.13905	3.0
219.13908	1.9
237.14937	16.7
238.15271	1.3
281.13916	100.0
282.14270	6.8
456.48047	0.2
516.60803	0.2
572.35999	0.2
614.50793	0.2
627.85944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79411	0.6
56.08887	0.6
59.01373	3.9
59.07993	0.6
61.98827	10.3
69.43771	4.9
71.01415	2.9
72.14121	0.6
72.94609	0.7
72.99297	6.3
73.02976	1.1
78.95971	0.8
80.70932	0.7
81.03511	1.0
85.02990	1.9
88.98846	0.8
93.03495	2.9
95.01411	1.4
95.05067	1.5
96.96054	1.0
101.02464	1.4
105.03479	0.9
108.02174	25.4
109.02952	73.2
110.03338	2.0
113.02489	1.6
115.92102	0.7
116.92904	1.6
119.05081	1.3
121.02940	4.9
122.03786	1.5
123.00922	1.6
123.04522	47.4
124.04951	1.0
125.02522	1.3
129.03491	0.9
131.05107	0.9
133.02966	6.2
133.05133	0.8
134.03743	21.8
134.04713	1.1
135.04530	18.4
135.05504	1.0
137.02458	2.5
139.04077	1.4
145.02991	2.9
147.04521	5.1
149.02438	10.1
149.06068	10.2
150.03230	6.7
151.03999	4.2
152.01152	23.5
153.01971	7.8
153.05568	37.0
157.03006	1.1
158.03712	0.8
159.04498	11.7
159.05574	0.9
160.01630	1.1
161.02431	15.6
162.02859	0.6
163.04024	1.3
173.02446	2.5
173.04536	1.7
174.03195	1.8
175.04042	2.9
177.01895	5.0
178.02710	6.4
179.03516	10.2
185.02429	23.5
185.11882	2.6
186.03230	6.2
187.03648	1.2
191.03508	3.2
193.05043	16.4
193.06522	1.0
194.05377	1.0
197.04539	6.3
197.06052	0.9
201.01912	1.1
203.03494	8.0
203.05092	0.9
209.06169	1.9
209.11853	1.9
209.13966	0.9
211.07640	1.1
219.04541	1.0
220.05408	1.0
221.06020	3.8
223.04001	1.3
223.07591	1.6
224.04764	1.1
225.05640	3.6
225.11386	0.7
226.06241	0.6
229.08644	0.7
232.05267	0.9
237.05630	2.1
239.07224	2.9
243.16161	0.7
248.04845	2.1
249.05489	6.0
250.06352	1.4
251.03442	3.6
251.07034	1.5
252.04222	2.1
253.05049	2.3
254.05833	1.3
255.06442	0.8
265.05045	5.2
266.05859	2.3
267.06641	7.8
268.06982	1.3
269.08170	10.7
276.04437	1.6
277.05011	11.1
278.05487	1.3
279.02966	13.1
280.03720	6.6
281.04306	0.9
283.06094	1.2
285.07919	1.0
292.03983	0.8
293.04562	10.4
294.05142	1.1
295.06064	25.9
296.06430	2.4
303.02850	1.0
303.18170	0.7
309.04050	0.9
311.05603	7.7
312.06302	1.4
313.07166	17.5
314.07504	0.7
315.10815	1.2
319.02554	1.3
321.04028	38.6
322.04578	4.3
329.06653	2.5
339.05075	100.0
340.05450	8.7
341.23364	1.8
353.23199	2.7
357.06155	16.5
358.06387	1.4
371.24371	24.5
372.24686	0.9
445.08923	3.4
467.26221	1.0
471.07471	3.7
472.07733	1.0
473.08817	2.3
475.10449	0.8
504.97363	0.7
515.28668	0.7
519.08948	3.6
669.12109	3.8
669.30597	55.1
670.31451	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	669.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56252	0.3
57.76388	0.3
59.01371	2.8
65.00329	0.5
67.01890	0.8
68.99814	0.8
69.03457	0.5
69.78600	1.7
71.01385	4.0
72.27390	0.3
72.99305	0.5
73.02951	1.2
81.03442	0.6
83.01379	0.8
85.02956	0.9
87.00912	0.5
89.02499	0.4
91.01882	2.5
93.03471	0.8
95.01386	1.1
95.05002	0.7
96.95984	2.2
96.99289	0.4
97.02949	0.8
98.95604	1.0
99.00877	0.6
99.92572	0.6
101.02443	2.2
107.01348	1.8
108.02175	3.1
109.02959	1.1
111.00878	1.3
113.02429	1.1
115.92117	0.4
116.92863	0.8
121.02953	3.2
121.24207	0.4
122.03733	1.0
123.00908	2.2
123.04520	87.3
124.01670	0.6
124.04843	2.1
125.02439	1.6
130.96146	0.3
133.02969	0.7
134.03749	0.4
135.04501	0.6
136.01689	0.5
137.02470	0.7
139.00218	0.3
143.03488	0.4
151.00356	4.2
151.04041	1.7
152.01138	7.1
152.04733	1.5
152.61409	0.3
153.05569	100.0
154.05905	4.3
163.03986	0.4
165.01932	0.5
165.05527	0.6
166.02710	1.4
167.03485	43.4
168.03833	1.8
173.04517	0.4
174.20866	0.3
179.03497	0.7
181.05014	0.9
191.05571	0.4
195.06670	1.7
197.04541	0.8
203.33733	0.3
203.35818	0.3
209.04527	1.9
211.36443	0.3
251.05623	0.8
266.27405	0.3
278.04126	0.5
293.06821	2.0
296.05402	2.2
297.09744	2.8
311.07712	40.9
312.08041	2.7
315.10852	7.0
316.11023	0.4
353.08737	9.6
354.09131	0.8
357.11871	11.8
358.12204	0.7
421.10995	0.4
447.12943	24.9
448.13199	2.4
465.14011	17.5
466.07800	0.4
466.14072	2.4
471.09210	1.3
507.15076	15.5
508.15317	1.4
609.18109	1.3
669.19470	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	5.5
58.02970	6.0
59.01372	4.7
70.02984	5.2
71.01376	1.0
71.51924	0.5
71.52304	0.4
72.00903	2.0
72.04540	1.0
73.02977	0.6
74.02471	38.0
75.02798	0.8
85.02954	0.5
96.96017	0.4
98.01894	0.7
98.02475	8.1
98.95576	0.4
99.04510	6.1
101.02460	2.5
106.17333	0.4
113.02396	0.5
116.03543	10.9
116.05054	13.9
123.04549	0.7
125.02422	1.9
130.06577	1.8
135.04539	0.5
142.06604	2.7
143.03352	0.5
158.26656	0.4
159.09250	3.3
159.23595	0.5
161.02414	0.4
161.04579	0.5
173.04536	0.5
182.02165	0.6
183.09380	0.8
186.05513	0.6
201.10286	2.6
203.08252	41.6
204.08600	2.0
211.07645	1.1
235.11853	1.8
245.09282	100.0
246.09624	5.6
277.12927	1.0
289.08383	0.7
300.02649	0.9
301.03513	0.4
349.20056	0.4
379.16125	5.7
505.09845	1.5
669.14618	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.8
59.01377	2.5
61.98811	4.4
63.26979	0.5
63.83222	0.5
71.01389	1.8
72.99320	1.5
73.02948	0.7
78.95901	0.7
78.96594	0.5
81.03469	1.8
83.01392	0.7
85.02947	2.6
87.00880	0.5
88.98785	0.8
89.02446	1.1
93.03474	2.6
95.01392	1.8
96.96015	1.9
97.06590	0.7
99.92574	1.3
101.02451	1.9
105.93075	0.6
107.05060	0.7
108.01582	0.5
108.02172	33.8
109.02950	100.0
110.03282	3.3
111.04511	0.6
112.33561	0.5
113.02477	0.8
115.05584	1.1
115.92086	1.3
116.92866	5.7
117.03500	0.7
119.05038	1.7
121.02986	3.7
123.00893	1.5
123.04513	5.2
125.09749	0.7
129.03477	0.7
130.04247	0.5
131.05025	2.3
133.02951	10.0
134.03719	2.0
135.04526	11.7
137.02425	1.3
141.01706	0.8
145.02957	3.3
146.03770	2.0
147.04523	6.8
149.02446	10.1
150.03247	6.4
151.03943	2.6
152.01149	37.2
153.01941	16.7
153.05603	2.1
158.03741	1.4
159.04504	26.4
160.04951	1.7
161.02435	21.1
162.02740	1.2
163.03993	1.6
173.02448	1.7
173.04527	1.8
174.03198	2.1
175.03993	6.1
177.01842	3.8
179.03496	7.6
185.02437	2.4
185.11839	2.1
189.95767	0.5
191.03510	2.5
191.05482	0.7
197.04494	1.1
199.07532	0.7
202.02821	0.9
203.03505	24.1
204.03917	1.9
209.06058	0.8
209.11783	1.8
221.05951	0.6
223.07745	0.6
225.05533	1.2
225.11307	0.7
227.03336	0.9
237.05577	2.1
239.07039	1.6
241.08760	0.7
247.02422	1.5
249.05608	2.1
250.06287	1.0
251.07019	2.3
252.08006	0.7
253.05011	2.4
254.05899	3.4
255.06573	4.6
265.05093	1.3
266.05817	1.2
267.06647	11.9
268.07217	2.6
269.08160	25.7
270.08560	3.3
277.05096	0.9
279.02945	0.9
283.06052	4.0
284.06454	0.7
293.04578	1.2
295.06171	5.1
309.04263	0.7
310.04550	0.6
311.05585	23.2
312.06012	4.6
313.07153	32.6
314.07565	4.0
321.04050	2.5
339.05060	9.8
341.23083	1.2
357.06137	66.5
358.06424	6.7
371.24353	9.1
372.24423	1.0
397.20990	0.6
445.09235	7.7
446.09821	1.6
489.08337	2.2
519.09235	3.3
630.05548	0.6
651.29651	1.3
669.12488	1.7
669.31226	57.3
670.21405	1.0
670.31482	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	669.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.4
57.03445	3.3
59.01375	2.7
60.01691	0.3
65.03963	1.3
69.03452	0.5
69.56297	1.2
70.43085	0.2
71.01376	0.4
71.05011	0.4
72.99294	0.2
73.87073	0.2
77.24203	0.2
81.03434	0.4
83.05023	5.0
85.02948	0.4
87.00880	6.2
88.01244	0.2
93.03474	0.5
94.04238	0.2
95.01399	0.4
95.05009	1.5
96.95985	0.3
97.02944	0.6
97.06557	0.3
101.02412	0.3
101.06069	0.4
109.02992	0.2
111.04521	2.2
111.08150	1.8
112.21931	0.3
113.06067	0.7
115.06593	0.2
119.08641	0.8
121.06593	3.0
123.04534	2.9
123.08160	13.5
124.05315	0.6
124.08473	0.6
125.09763	0.4
129.07103	0.4
133.06612	0.4
135.04523	0.4
135.08138	0.4
137.06033	0.4
137.09721	1.4
138.06859	0.4
139.07643	1.7
143.08665	0.3
145.10225	1.8
149.09717	0.5
151.07668	1.2
153.05574	3.4
153.09196	1.5
155.08571	0.3
159.11896	0.3
165.09192	0.3
167.03506	1.0
169.08725	0.9
169.10233	2.1
170.10548	0.3
171.11781	15.0
172.12138	1.0
173.09698	0.3
175.11314	0.4
185.09714	0.5
189.12845	5.9
191.10591	0.3
201.12840	5.7
202.13097	0.3
207.13875	3.4
208.14276	0.3
209.11736	0.3
219.13811	1.6
237.14943	19.7
238.15259	1.0
281.13922	100.0
282.14264	8.4
283.14462	1.0
311.07770	1.5
318.95630	0.3
339.81488	0.2
357.11804	0.5
447.12778	0.3
465.13684	0.6
507.15353	0.3
628.60358	0.2
669.25934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3855
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
53.37850	0.7
58.37467	0.8
59.01379	5.0
61.98832	4.4
65.66316	0.8
71.01390	2.7
71.06691	1.9
72.99316	1.4
73.02942	1.1
77.24545	0.7
85.02955	1.0
88.98820	0.9
93.03451	1.2
96.96020	2.9
99.92575	1.0
101.02451	1.8
108.02148	1.1
109.02958	1.9
109.06544	1.3
109.72968	0.9
113.02457	1.1
116.92819	5.0
119.05087	1.0
123.04503	2.4
131.96475	0.7
133.02950	2.0
134.03749	6.0
135.04565	4.2
135.08139	1.8
137.02457	1.6
149.02458	1.4
149.06042	2.0
150.06851	23.6
151.07257	0.9
152.01134	1.2
153.01979	1.0
153.05598	0.9
159.20511	0.7
161.02441	6.9
162.06866	1.5
163.03969	0.8
163.07649	10.9
164.08429	7.5
165.01941	0.8
165.08795	0.9
167.03506	2.3
171.10271	1.4
173.04541	1.5
177.02025	1.0
177.09225	1.9
178.02733	4.7
179.03479	3.0
179.10782	16.9
180.11154	1.1
181.05061	1.1
185.11824	3.3
193.05078	6.7
207.10252	2.8
209.11823	2.8
225.11302	2.9
267.06519	1.3
284.98172	0.8
300.93497	0.8
309.20813	1.5
311.05600	1.6
313.07239	1.9
325.23834	1.1
327.21750	12.8
328.22150	1.3
388.03171	0.7
464.31299	1.1
465.32684	1.0
489.32080	3.3
503.11700	0.8
506.32480	17.9
507.33218	24.9
508.33505	3.3
651.30182	2.9
669.29761	5.0
669.38672	100.0
670.39105	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60483	0.5
59.01383	3.7
61.98824	2.9
68.00551	0.4
69.45652	3.0
70.62792	0.4
71.01363	1.8
72.06284	0.4
72.99307	20.3
80.12721	0.6
81.03493	0.6
83.05025	0.9
85.02951	0.6
89.03936	0.6
93.03480	0.8
97.02988	0.5
101.02422	0.9
105.03436	0.7
107.05013	0.7
109.02953	5.9
109.06606	1.7
117.03456	2.1
121.02946	2.8
123.04523	9.9
132.02145	1.1
133.02951	23.8
134.03812	2.7
135.04524	22.9
136.04919	0.8
137.02486	0.5
139.04005	0.8
144.98485	0.5
145.02928	1.4
149.02438	10.2
149.06105	1.4
150.03230	6.0
150.06853	4.8
151.03987	2.1
151.07538	0.8
153.05579	0.7
161.02435	100.0
162.02766	4.7
163.04056	0.5
163.07652	1.8
163.11351	1.0
164.08420	0.5
167.03503	1.3
171.10266	1.0
173.02385	1.3
174.03198	3.6
177.01941	1.1
178.02707	1.5
179.03491	21.8
179.10732	1.8
180.03802	0.8
193.04991	2.4
195.06641	4.2
195.42044	0.5
197.04544	27.4
198.04890	1.0
201.01949	1.1
207.10287	3.1
209.11829	6.5
211.07707	0.7
221.06142	0.7
225.11375	3.8
227.07272	0.7
227.12857	1.4
234.47684	0.5
237.05522	1.2
239.07103	1.8
246.79039	0.5
249.05608	1.1
250.06262	0.6
253.09204	0.8
254.05835	1.0
255.06595	1.8
265.05035	0.7
266.05826	0.8
267.06619	13.4
268.07144	1.4
283.06125	7.3
311.05597	30.4
312.06119	2.8
313.07050	0.6
318.58893	0.6
327.21820	1.1
328.22189	1.4
329.06674	11.6
329.23019	1.0
359.07690	50.4
359.27930	0.7
360.08044	3.4
461.20438	0.9
463.34171	1.2
472.31586	0.5
491.09705	3.8
491.33929	0.6
508.34296	0.9
509.10892	39.7
509.34991	3.1
510.11081	5.4
521.10956	1.6
635.30823	1.1
653.32025	1.0
670.29175	0.6
670.39209	1.3
671.14032	1.2
671.30951	4.1
671.40149	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	671.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
62.19924	0.2
69.47553	1.6
71.01349	0.4
72.99306	12.4
89.03983	0.2
93.03463	0.3
95.05039	0.3
102.05581	0.2
105.03456	0.3
107.04996	0.3
108.02163	0.3
109.02948	3.8
117.03478	0.4
121.02927	1.2
121.50614	0.2
123.04525	7.2
128.03561	0.4
132.02177	1.0
133.01469	0.3
133.02954	20.0
134.03793	1.2
135.04523	20.4
136.04840	0.6
137.09727	0.5
145.02936	0.9
149.02444	7.8
149.05952	0.2
150.03230	6.6
151.03955	1.0
153.05556	3.3
159.04434	0.3
159.87398	0.2
161.02434	100.0
162.02765	4.5
173.02394	0.4
174.03209	0.8
175.04005	0.2
177.01901	0.7
178.02657	0.3
179.03493	15.2
180.03819	0.5
193.05005	0.5
197.04543	17.0
198.04883	0.8
201.02003	0.4
207.10120	0.5
209.11908	1.3
223.02422	0.3
223.07547	0.3
225.11281	1.2
237.05678	0.3
238.06239	0.4
239.07056	0.6
249.05505	0.7
250.06288	0.5
254.05838	0.3
255.06563	0.6
265.04779	0.4
266.05823	0.5
267.06598	8.3
268.07120	1.0
269.19141	0.3
283.06061	1.8
287.20041	0.4
287.90115	0.2
293.95654	0.2
311.05600	12.6
312.06052	1.7
313.07166	3.9
314.07422	0.2
329.06653	1.0
331.19156	1.1
337.03650	0.3
357.06207	0.3
359.07697	36.5
360.08078	2.9
403.13864	0.3
491.09595	1.1
509.10965	3.4
510.11041	0.4
521.11334	0.4
569.77185	0.2
626.32245	0.4
653.31775	0.4
671.13953	0.5
671.30933	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	671.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08825	0.3
59.01373	3.1
61.98824	0.9
65.37849	0.3
71.01383	1.0
71.52392	0.4
72.99306	11.8
83.05032	0.5
85.02952	0.4
87.00874	0.3
88.98797	0.4
93.03448	0.9
95.05038	0.5
97.02991	0.3
101.02422	0.4
102.04469	0.4
103.04095	0.4
105.03477	0.4
106.30299	0.3
108.02217	0.4
109.02945	4.5
109.06583	0.9
116.92888	0.4
119.05049	0.4
121.02948	1.1
123.04524	6.2
123.72598	0.3
125.02430	0.4
132.02129	0.5
133.02954	18.7
134.03767	2.5
135.04523	21.1
136.04848	0.7
137.02472	0.4
145.02971	0.7
149.02422	7.2
149.05975	0.4
150.03230	6.6
151.04002	1.4
153.01924	0.3
153.05568	1.1
159.04521	0.3
161.02434	100.0
162.02776	4.8
162.94574	0.3
163.11298	0.9
171.10294	0.9
174.03226	0.5
177.01927	1.0
178.02693	1.0
179.03493	16.6
180.03868	0.6
191.25751	0.3
193.05023	1.0
195.06575	2.4
197.04543	16.8
198.04918	0.7
207.10220	2.7
207.79912	0.3
209.11781	4.4
211.13374	1.0
223.02647	0.4
223.07539	0.3
225.11320	3.0
227.12906	0.7
229.14627	0.3
235.08156	0.5
237.05678	0.7
239.07051	0.4
249.05511	0.5
250.06248	0.5
253.09265	0.4
266.05811	0.6
266.69556	0.3
267.06598	9.3
268.07108	1.2
283.06155	1.6
293.04605	0.4
311.05600	12.8
312.06113	1.6
313.07147	4.2
329.06870	0.4
329.23315	4.4
331.19107	0.5
337.03836	0.4
357.06021	0.5
359.07693	42.2
360.08051	3.1
383.34366	0.3
396.81723	0.3
422.31573	0.4
443.19168	0.5
461.20197	0.5
491.09625	0.8
509.10928	0.7
521.10822	0.8
635.30243	0.5
653.31525	1.1
671.31464	3.2
671.41449	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.9
57.03442	0.8
59.01376	10.1
60.99298	1.2
61.98824	1.0
65.03984	0.4
69.03435	0.6
70.96797	0.4
71.01376	6.1
71.05009	0.7
72.99292	1.0
73.02945	2.1
80.02665	2.3
81.03443	3.3
83.01382	1.7
83.05025	7.5
84.02168	0.8
85.02950	1.8
87.00883	1.6
88.98808	7.0
89.02450	4.0
93.03455	1.7
95.05039	1.5
97.02941	5.5
97.06580	0.7
99.00899	1.7
101.02441	5.2
102.05592	2.1
106.04248	0.5
107.05034	1.0
109.02953	0.5
109.06590	19.7
110.03732	0.7
110.06944	0.6
111.04497	0.8
113.02464	2.9
119.03505	1.0
121.02977	0.4
121.06607	1.5
123.04519	1.1
123.08150	0.7
125.02457	0.4
125.06059	0.8
125.09721	2.6
128.03542	4.4
133.02954	0.7
134.03740	0.8
135.04515	1.2
135.08167	3.3
136.05280	1.2
137.02493	0.4
137.09642	0.4
142.02696	1.6
143.03459	0.5
145.05028	0.5
145.10176	0.4
146.04601	0.6
149.06068	0.5
152.07108	0.7
153.05626	0.4
161.02455	2.7
161.04546	1.0
161.09677	1.6
163.11292	15.8
164.11626	1.2
165.09167	0.5
165.12845	3.0
171.10257	3.0
173.04529	0.6
178.02731	0.4
179.03448	0.8
179.05481	0.4
179.10773	0.6
181.12325	5.0
185.11812	2.0
187.09692	0.6
189.09192	1.4
191.10799	1.3
193.05035	1.3
195.06677	0.4
197.04521	0.6
199.13498	0.4
201.11217	0.4
207.10249	56.4
208.10576	3.8
209.11815	100.0
210.12183	6.2
221.11787	1.0
223.13324	0.6
225.11308	27.2
226.11647	1.6
227.12869	12.6
228.13124	0.6
231.10185	1.4
235.08170	4.1
243.12302	1.0
245.11757	0.6
247.13396	1.0
249.11302	1.3
251.12964	0.4
253.09273	9.1
263.12802	1.6
265.14359	0.7
277.21771	0.5
281.14124	1.0
293.09311	0.6
299.15009	1.0
305.09265	0.4
311.05563	0.4
333.20572	0.4
355.22864	0.7
359.07712	0.6
373.19736	0.5
373.23972	0.7
389.23315	0.4
399.21667	5.5
400.22171	0.7
405.17599	0.8
407.24298	0.6
417.22769	5.6
418.23297	0.6
435.24030	0.9
443.19379	2.5
445.20877	1.2
457.28024	0.6
461.20230	9.7
462.20993	0.7
485.20120	0.7
491.26605	0.5
499.29294	1.0
502.15930	0.7
537.27948	0.5
610.31952	0.9
625.31781	0.5
627.31183	0.7
628.33356	10.4
635.30640	11.1
636.31104	1.3
639.23804	0.6
653.31720	14.5
654.32397	2.5
671.32770	26.5
672.33221	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	671.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46919	0.7
57.03429	1.1
58.00569	0.9
59.01372	6.9
61.98811	2.2
71.01376	4.1
72.99310	1.8
73.02946	3.6
81.03448	2.2
83.01362	1.0
83.05013	0.8
85.02932	2.5
89.02424	1.1
93.03426	2.6
93.03997	0.9
95.01377	1.9
96.96007	1.1
97.06523	0.8
99.00883	0.9
99.04531	0.9
101.02439	1.9
107.05024	1.1
108.02168	39.9
109.02950	37.9
109.06596	1.3
110.03259	1.5
113.02438	1.7
119.05007	1.4
121.02932	1.4
123.00860	2.2
123.04520	12.9
133.02934	1.6
134.03777	4.0
135.04520	8.0
136.04956	0.9
137.02443	1.1
139.11307	0.7
139.76659	0.7
149.06065	1.0
150.06859	3.8
150.47874	0.8
151.03955	1.8
152.01144	47.9
153.01929	30.7
153.05576	11.8
157.12219	0.7
159.04503	1.0
161.02423	3.9
163.04008	2.3
163.11238	1.4
165.01863	1.1
171.10199	1.3
173.04553	1.0
177.01906	1.4
177.12747	0.7
178.02652	2.4
179.03496	6.8
179.10689	1.4
181.05084	1.1
185.11818	1.2
193.05074	4.8
195.03067	0.8
207.10265	4.2
209.11807	12.1
215.12817	1.7
221.11769	1.1
225.11310	7.1
225.14813	1.0
227.12859	2.8
235.08078	0.8
253.09169	1.2
255.11404	1.2
267.06396	1.4
269.08054	1.0
287.10074	0.7
287.15054	1.4
291.95422	0.7
295.06000	1.0
296.11697	0.9
304.39645	0.7
311.05496	1.4
334.21042	0.9
341.05634	1.0
343.24841	2.6
348.23019	1.1
349.23755	3.5
355.24847	2.5
358.06299	1.4
359.07050	1.7
373.25912	19.6
374.26245	2.3
375.27475	1.7
423.27576	0.9
461.20154	1.8
551.22437	1.6
588.49841	0.7
595.21814	1.0
627.33466	7.3
628.34033	1.6
653.31696	2.9
671.32751	100.0
672.33063	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	671.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62803	0.6
57.03426	1.2
59.01363	3.6
61.65752	0.7
61.98827	3.7
69.03434	1.0
71.01363	4.0
72.99274	1.4
73.02927	2.7
79.01911	0.7
81.03428	2.1
83.05048	0.7
85.02941	2.3
87.00873	1.0
88.98789	3.0
89.02432	1.7
90.86070	0.7
93.03450	2.7
95.01391	1.5
95.05050	1.1
96.96014	1.0
97.02905	1.1
98.20639	1.9
99.00926	0.8
101.02427	1.9
102.07443	0.7
108.02163	44.2
109.02953	40.0
109.06570	2.7
110.03251	1.9
113.02422	2.0
119.05040	1.1
121.02922	1.9
123.00847	2.1
123.04518	18.6
123.08164	0.8
133.02908	2.2
134.03749	1.1
135.04535	5.6
137.02399	1.3
139.03975	1.7
143.99071	0.7
145.02908	0.9
147.04405	1.0
149.02486	1.2
149.06085	0.9
150.03149	0.9
150.06854	3.5
151.03975	1.4
152.01140	52.7
153.01927	18.3
153.05556	16.6
157.58456	0.8
159.04474	2.5
161.02434	4.6
162.02847	0.8
163.03981	1.7
163.07623	1.7
163.11263	2.9
171.10220	2.3
173.04532	1.6
177.01830	1.6
179.03474	3.7
181.05013	1.0
185.11763	3.0
189.09140	0.7
193.04974	1.3
197.04533	0.9
201.11195	0.7
203.03510	1.1
207.10245	6.8
208.10667	0.9
208.42067	0.6
209.11816	15.7
210.12082	1.0
225.11296	7.1
227.12907	3.5
253.09206	2.5
267.06534	1.5
269.07974	1.2
283.06033	0.8
311.05396	1.3
313.06442	0.7
315.07550	1.0
334.21439	1.2
347.18591	1.4
348.22910	3.7
349.23685	3.3
355.24905	1.0
357.06201	1.8
358.06384	2.1
359.07065	2.1
373.25900	24.5
374.26178	2.3
389.19693	1.8
399.21240	0.9
417.22855	1.1
422.26755	1.2
449.21384	0.9
461.20590	1.5
627.33838	11.3
628.34302	2.0
635.30957	2.8
653.31866	3.2
671.32629	100.0
672.32990	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	671.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	1.0
59.01381	6.6
61.98827	5.2
66.29059	0.7
71.01375	4.1
71.51919	1.3
72.99284	4.0
73.02966	1.7
77.24164	0.8
81.03462	1.5
83.05037	1.3
85.02956	1.7
87.00889	1.3
88.98838	1.7
89.02455	2.0
93.03478	2.9
95.05062	1.5
97.02985	1.9
97.06610	1.2
101.02458	3.7
105.03530	0.9
108.02157	4.1
109.02969	11.4
109.06593	2.0
110.03329	1.6
113.02485	1.4
119.05070	1.3
121.02969	1.7
123.04525	79.8
124.01683	1.0
124.04913	3.6
125.09743	0.9
133.02968	4.1
133.05104	1.7
134.03746	6.2
135.04533	11.5
135.05389	1.1
135.08208	1.5
136.04955	1.1
137.02470	4.3
137.85985	0.8
139.04031	1.4
141.09155	1.0
149.02466	2.6
149.06116	4.5
150.03264	1.2
150.06859	33.6
150.08041	1.6
151.04027	1.3
151.07367	0.9
152.01219	3.0
153.02045	3.8
153.05574	76.8
154.05945	3.9
159.04509	1.4
161.02432	10.7
162.02870	1.4
162.06873	1.1
163.04095	1.3
163.07654	18.8
163.09007	1.1
163.11267	4.0
164.08430	6.2
165.12779	0.8
171.10321	2.4
173.04631	2.7
175.03976	1.0
177.01924	20.3
177.09232	0.9
178.02635	2.4
178.10031	1.7
179.03508	5.5
179.10779	14.3
180.03839	0.8
181.05089	1.2
181.12347	1.0
185.02528	2.2
185.11806	2.1
191.05762	1.2
193.05069	5.2
194.05438	1.9
197.04608	2.7
203.03598	1.1
207.10275	9.8
209.11821	19.4
210.12172	1.2
225.11317	11.0
227.12915	4.8
227.14880	0.9
253.04970	0.9
253.09349	2.7
267.06696	1.8
268.07346	1.0
277.04913	0.9
283.06250	0.9
295.06070	1.2
296.06494	1.2
297.24542	2.9
299.22244	6.0
311.05612	5.5
311.22461	1.0
312.06198	1.3
313.07217	1.0
321.04196	2.3
322.04468	1.6
323.04718	1.4
329.23462	2.4
339.05142	3.7
340.05548	4.4
341.05704	4.1
354.32513	0.9
355.25031	1.9
357.06461	1.0
359.07602	1.6
372.24869	1.7
373.25925	28.8
374.26477	1.8
399.22229	0.8
417.23087	1.0
432.32584	1.2
446.34259	1.9
447.35098	2.2
461.20374	1.9
461.33188	2.3
464.31198	1.0
473.32809	1.0
478.33264	3.1
479.33679	7.8
480.34256	1.9
490.32947	4.2
491.33951	5.9
492.34418	1.4
508.34082	12.2
508.40955	1.3
509.34894	8.1
517.30188	1.7
635.30768	1.9
653.31848	4.0
654.33228	1.1
671.40588	100.0
672.32544	0.8
672.40802	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.4011
Annotation	Guineamide D
Peak:m/z	Relative Intensity
57.03447	0.5
59.01373	3.1
61.98828	5.0
62.80501	0.4
65.60901	0.4
70.47250	1.7
71.01375	1.9
72.99299	4.1
73.02945	0.9
81.03438	0.7
83.05032	1.0
85.02940	1.1
87.00859	0.4
88.98817	0.8
89.01120	0.4
89.02421	0.9
93.03479	1.1
95.05034	0.7
96.23126	0.5
96.96005	1.0
97.02959	0.6
97.78754	0.4
99.04594	0.5
101.02451	1.4
108.02145	0.8
109.02957	1.8
109.06593	1.9
111.04546	0.6
113.02447	0.8
115.92149	0.4
116.92860	1.1
119.05037	0.7
121.02994	0.7
123.04534	4.1
125.02470	0.7
125.06229	0.6
132.02188	0.5
133.02956	4.4
134.03749	7.7
135.04530	5.8
135.08167	1.9
137.02444	1.7
145.02928	0.8
148.05379	0.6
149.02420	1.9
149.06088	5.8
150.03242	0.9
150.06859	29.8
151.04062	0.9
151.07355	0.7
152.01149	1.1
153.01920	0.9
153.05585	2.2
155.14304	0.5
161.02441	19.3
162.02791	1.3
163.07651	16.6
163.11275	1.7
164.08417	6.6
169.12315	0.7
171.10292	0.9
173.04565	0.8
175.04005	0.5
177.01974	0.8
177.09151	1.1
178.02711	2.8
178.09950	1.0
179.03488	4.3
179.10773	15.9
180.11066	0.7
181.05005	0.5
181.12483	0.6
185.11784	1.4
193.05058	9.4
197.04559	5.3
207.10228	4.8
209.11818	9.7
210.12152	1.0
215.12857	0.5
225.11351	4.4
227.12894	1.5
239.07324	0.5
253.09320	0.9
267.06509	2.6
277.97406	0.5
283.05984	0.9
311.05603	5.1
311.22412	0.5
312.05945	1.2
327.21820	0.9
327.25424	3.0
329.06702	1.7
329.23303	13.4
330.23718	0.8
341.05573	0.6
359.07672	8.1
359.27927	2.3
360.08017	0.8
360.28391	2.5
399.21262	0.5
461.20175	1.3
463.34442	0.6
490.33148	1.4
491.09674	0.8
491.33722	3.6
492.34204	0.8
508.34045	25.2
509.10690	4.8
509.34753	25.6
510.11292	1.3
510.35223	2.8
551.35675	0.7
635.30841	1.4
653.31989	1.9
671.31738	6.3
671.40289	100.0
672.30896	1.7
672.40613	14.7
700.50916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.6
61.98828	16.1
65.00309	0.9
71.01386	0.9
71.51569	0.6
72.99309	1.5
83.01376	1.5
83.05008	0.5
88.98813	0.9
93.03440	3.0
96.96009	2.0
106.69372	0.7
107.01408	1.3
108.02177	1.6
109.02944	1.5
110.68796	0.7
117.03497	0.7
119.05035	2.6
121.02954	3.1
123.04542	1.5
124.01610	1.0
133.02946	4.0
134.03259	0.6
135.04544	5.2
137.02458	3.4
139.04018	0.7
140.75459	0.6
143.47603	0.6
145.02975	2.9
151.00372	11.4
153.05548	1.0
161.02441	17.7
162.02826	3.0
163.00427	2.8
163.03999	2.3
164.01166	0.7
167.03612	0.9
173.04518	1.4
177.01985	0.8
178.99875	5.1
179.03499	1.9
181.05118	2.9
197.04539	1.3
207.10355	0.6
209.11893	2.8
211.03973	0.8
226.02846	1.0
227.03479	2.1
227.12808	0.9
229.04958	0.9
243.02975	7.3
244.03537	0.7
245.04410	1.4
254.02240	2.6
255.02972	21.8
256.03473	1.4
271.02466	41.0
272.02924	3.4
299.02008	0.8
300.02740	87.7
301.03452	42.7
302.03918	1.9
339.46912	0.7
343.08215	1.7
344.08521	1.4
359.07828	1.4
381.11093	0.8
385.14038	0.7
413.13849	1.2
445.15826	1.2
463.08817	26.7
464.08768	2.7
609.12457	100.0
610.12836	14.2
626.06824	0.6
671.32556	1.7
672.34070	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16731	0.6
59.01369	2.5
59.59476	0.7
61.98820	2.2
74.02457	2.0
78.84956	0.7
83.01346	0.8
87.55943	0.7
96.95978	0.8
98.19862	1.5
107.01388	1.6
109.02937	1.1
121.02913	1.5
135.04472	0.9
143.16866	0.7
151.00360	8.9
161.02463	1.0
163.00301	1.6
173.04576	0.8
178.99832	5.1
199.04037	0.7
203.08267	0.9
226.02733	1.7
227.03458	0.9
243.02893	5.2
245.04532	1.0
245.09296	2.2
246.09627	1.5
254.02173	2.0
255.02957	20.0
256.03430	1.3
271.02463	39.6
272.02985	3.3
283.02496	1.2
299.01941	0.9
300.02722	79.7
301.03439	30.1
302.03915	1.3
473.54630	0.8
609.14563	100.0
610.14844	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	673.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98537	1.0
61.98828	13.2
62.58763	0.6
71.10199	1.1
73.02937	1.5
75.00874	1.4
78.95897	1.7
103.00403	0.9
113.25932	0.7
121.77119	0.6
122.04989	0.7
136.47636	0.6
152.99602	0.9
242.38786	0.7
330.47766	0.7
452.11050	1.6
455.17062	1.1
466.16321	1.5
467.13205	0.7
467.17422	0.7
468.18228	1.1
473.18350	2.1
479.17212	2.1
483.20264	3.0
493.18744	1.6
495.12784	1.2
500.16623	0.9
507.16873	1.1
510.15295	7.9
511.16446	3.5
523.16406	2.6
524.16876	1.1
525.17828	3.1
526.14764	11.4
527.15240	3.0
537.17627	0.9
538.18628	2.4
542.15192	1.2
550.15076	1.1
553.21014	1.1
565.16949	1.7
569.16785	8.8
570.17249	2.7
599.17511	0.9
641.18750	6.9
673.21490	100.0
674.21704	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	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.1
57.03465	0.1
58.00620	0.1
59.01378	1.8
59.01652	0.1
62.77147	0.1
69.03474	0.2
71.01378	2.0
71.05035	0.1
72.99328	0.4
73.02959	0.3
80.02677	1.1
80.03117	0.1
81.03446	1.1
83.01419	0.4
83.05025	4.4
84.02154	0.7
84.05373	0.1
85.02969	0.4
87.00907	0.3
89.02454	1.3
93.03474	0.2
95.01408	0.2
95.05022	0.6
96.96023	0.1
97.03006	0.2
97.06573	0.1
99.00899	0.1
101.02433	1.7
107.05096	0.1
109.06615	0.3
111.00919	0.1
111.08201	0.1
113.02448	0.9
114.32247	0.1
119.03524	0.3
123.04545	0.2
123.08144	0.2
125.02470	0.1
125.06064	0.4
125.09752	0.2
133.02965	0.3
133.05167	0.1
135.04501	0.3
135.08145	0.5
143.03494	0.3
145.05156	0.2
147.11804	0.1
149.09695	0.2
153.12814	0.1
161.02431	0.8
161.04544	0.7
162.02769	0.3
163.04135	0.1
163.09885	0.2
163.11281	3.8
165.12830	2.5
166.13112	0.1
171.10252	1.6
173.04579	0.1
173.09674	0.1
179.03467	0.3
179.05589	0.2
181.12331	0.7
185.11792	0.1
191.10765	0.9
193.05048	0.1
195.06676	0.1
197.04579	0.2
198.04831	0.1
207.10208	0.2
209.11812	100.0
210.12143	5.7
221.11842	0.3
227.12865	13.7
228.13177	0.8
235.08208	1.7
239.12753	0.1
247.13434	0.9
248.13843	0.1
253.09276	5.5
254.09744	0.2
265.14368	0.3
311.05795	0.1
359.07642	0.2
360.08121	0.1
361.08154	0.2
401.23154	0.3
419.24234	0.2
445.20703	1.0
446.20801	0.1
455.91437	0.1
463.21576	0.1
483.21762	0.1
511.11359	0.2
532.28998	0.1
611.30554	0.2
637.32397	0.7
655.33209	0.5
673.31927	0.3
673.41919	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21163	0.4
57.03449	0.9
59.01380	3.2
61.98817	1.3
64.39127	0.4
65.96939	0.4
71.01368	2.9
71.05009	0.4
73.02928	1.1
80.02679	0.5
80.96513	0.6
81.03469	2.2
83.05025	2.7
84.02147	0.6
84.61555	0.4
85.02940	3.1
87.04494	0.5
88.98791	1.5
89.02426	1.2
93.03445	1.5
95.01375	2.0
96.96027	0.7
98.20795	0.5
99.00846	0.6
101.02433	1.4
107.05054	0.6
108.02172	51.6
109.02957	34.5
109.06590	0.6
110.03272	1.2
113.02437	1.0
119.04995	1.0
121.02956	1.4
122.06007	0.8
123.00877	2.3
123.04524	6.1
123.08196	0.5
125.02421	0.7
133.02953	0.9
134.03731	0.7
134.06146	0.9
135.04559	3.0
137.02431	0.9
151.03972	1.1
152.01140	55.3
152.07188	1.1
153.01938	21.0
153.05556	6.6
154.02260	0.8
161.02380	1.1
161.04517	0.9
163.03998	1.6
163.11299	1.9
165.01949	1.2
165.12759	0.8
169.12273	0.5
171.10236	1.2
173.04529	1.0
177.01910	3.5
179.03481	1.3
181.05133	1.1
185.11774	1.3
191.05621	0.6
193.05055	0.7
195.02943	0.5
197.04474	0.7
209.11806	47.2
210.12115	2.4
215.12628	0.5
221.66637	0.4
227.12878	5.9
235.08177	0.8
247.13596	0.5
253.09274	2.3
297.06229	0.5
329.23438	0.6
357.26602	2.1
373.25839	0.9
375.27481	24.1
376.27768	3.1
597.23438	1.4
629.25574	0.6
673.34375	100.0
674.34741	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	0.2
59.01379	1.8
69.03480	0.1
69.71136	0.2
70.52441	0.2
71.01385	1.8
71.05020	0.2
72.99301	0.5
73.02934	0.3
75.71070	0.1
76.69263	0.1
80.02677	1.3
81.03456	1.0
83.01388	0.2
83.05026	4.3
84.02159	0.7
85.02954	0.4
87.00876	0.4
89.02438	1.1
93.03450	0.3
95.01384	0.2
95.05011	0.5
97.02956	0.3
99.00887	0.2
101.02441	1.6
109.02892	0.1
109.06580	0.4
113.02439	0.7
118.47778	0.1
119.03512	0.3
123.04499	0.4
123.08176	0.2
124.04804	0.2
125.02455	0.2
125.06065	0.3
125.09715	0.3
133.02963	0.3
134.03336	0.2
135.04486	0.5
135.08186	0.7
136.04860	0.2
145.05066	0.2
147.11861	0.2
149.02501	0.2
161.02448	1.6
161.04549	0.5
162.02782	0.6
163.02937	0.2
163.11282	3.5
164.11536	0.2
165.12822	2.2
166.13110	0.1
171.10269	1.7
177.01930	0.2
179.03397	0.3
179.05611	0.2
180.04053	0.1
181.12399	0.7
185.11821	0.1
191.10733	0.8
197.04567	0.3
198.04857	0.3
199.13309	0.1
207.10179	0.2
209.11815	100.0
210.12164	6.1
217.34866	0.2
221.11810	0.2
227.12875	13.6
228.13248	0.8
235.08192	1.7
247.13332	1.0
253.09282	5.2
253.11395	0.1
254.09636	0.3
265.14343	0.4
312.06403	0.1
354.77942	0.1
359.07819	0.3
360.08148	0.4
361.08215	0.4
401.23203	0.2
419.24579	0.2
445.20743	1.1
463.21722	0.2
611.30646	0.3
629.32068	0.1
637.31989	0.5
638.32330	0.1
655.33167	0.3
673.32306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58458	0.4
56.93357	0.4
57.03431	0.7
59.01381	2.8
60.99302	0.4
67.01885	2.8
69.03433	0.9
70.70879	1.1
71.01386	2.7
81.03461	0.5
81.08817	0.4
83.05030	0.7
85.02970	2.6
87.00852	1.2
93.03456	20.5
96.96017	0.6
97.04686	0.4
100.33448	0.4
109.02936	1.1
111.00917	0.6
111.04515	3.3
113.02502	0.5
116.31625	0.4
117.03410	0.4
119.05023	15.8
120.05336	0.6
127.03996	0.9
137.02446	3.0
143.05005	1.5
145.02959	1.0
155.03470	2.8
161.08087	0.5
163.04001	13.0
164.04301	0.5
173.04541	100.0
174.04883	2.4
191.05598	16.1
192.05962	0.8
247.97205	0.4
265.08670	1.8
309.07727	0.7
327.08698	7.4
328.09125	0.7
337.09271	38.0
338.09726	3.0
476.90036	0.5
501.14053	1.8
675.19708	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	675.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31870	0.2
54.72332	0.2
57.03455	1.1
59.01374	1.6
59.57992	0.2
60.99309	0.4
67.01888	3.7
69.03455	1.1
69.76971	0.5
69.77357	0.5
71.01377	2.5
73.02944	0.2
81.03455	0.7
83.05020	0.7
85.02954	1.2
85.84660	0.2
87.00866	0.7
93.03456	24.0
94.03795	0.4
96.75205	0.2
96.95975	0.5
108.02171	0.2
109.02953	0.9
111.00876	0.9
111.04529	4.2
113.02460	0.3
117.03486	0.3
119.05025	14.7
120.05318	0.5
127.03985	0.6
129.01978	0.2
135.04480	0.2
137.02441	3.9
143.04990	0.3
145.02956	0.2
155.03503	5.1
163.04002	11.3
164.04350	0.5
173.04538	100.0
174.04878	2.8
191.05608	7.5
221.09540	0.2
237.09175	2.0
239.10648	0.7
253.08569	0.3
268.05374	0.3
283.09750	2.3
327.08719	16.1
328.09091	1.3
337.09280	11.5
338.09589	0.8
361.78970	0.2
398.91241	0.2
457.15204	0.9
501.14023	14.1
502.14227	1.7
551.31586	0.2
675.19257	5.7
676.19745	0.6
685.82214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
57.03436	1.2
58.00586	2.1
59.01376	47.8
60.01715	0.4
64.95737	0.2
66.80028	0.2
67.01902	0.4
68.99814	0.6
69.03458	2.5
70.36964	0.5
71.01378	39.6
72.01707	0.4
72.14355	0.2
72.99311	2.4
73.02943	6.7
75.00858	0.8
78.95904	0.2
81.03453	1.9
83.01380	4.5
83.05034	0.4
83.91142	0.2
85.02943	8.0
86.00102	0.4
87.00871	9.4
87.04520	0.4
89.02438	36.3
90.02797	0.6
91.04012	0.7
93.03448	0.5
95.01384	2.6
95.05060	0.2
97.02946	6.4
99.00880	2.7
99.04534	0.5
101.02436	32.4
102.02779	0.5
103.00367	0.4
103.04005	0.3
109.02955	0.5
111.00854	0.8
111.04523	1.7
112.01698	0.3
113.02443	16.6
113.06103	0.2
114.02781	0.2
115.04005	0.8
119.03493	11.2
120.03864	0.2
121.02985	0.7
123.00930	0.2
123.04497	0.3
124.01672	0.5
125.02438	14.6
126.02789	0.5
127.04002	0.5
127.07657	0.2
129.01869	0.3
131.03493	2.2
133.05061	1.2
136.69121	0.2
137.02513	0.2
139.04022	1.2
141.01930	0.7
142.02728	0.2
143.03494	6.8
144.03867	0.2
149.04558	1.3
151.03964	0.3
157.05075	0.4
159.02950	0.2
161.04547	9.4
167.03487	0.8
169.05031	0.6
171.03035	0.3
179.05594	8.0
180.05916	0.3
181.05029	0.4
185.04520	0.6
199.06157	0.5
201.10785	0.2
203.05588	0.6
217.07054	1.2
219.05084	0.7
221.06606	2.7
233.22743	0.5
235.08200	16.4
236.08562	0.6
245.06622	1.0
253.09216	4.1
253.35646	0.2
259.20486	0.5
263.07684	1.7
275.20169	0.4
277.09552	1.3
277.21689	100.0
278.22037	8.3
286.18506	0.2
287.07693	3.9
291.23288	0.5
305.08768	4.0
306.09021	0.3
319.22656	0.3
323.09790	2.0
361.11273	0.9
379.12485	1.2
397.13458	97.5
398.13754	7.1
415.14523	39.3
416.14853	2.9
593.27356	0.3
675.35614	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
57.03438	1.4
58.00591	2.3
59.01377	46.2
60.01714	0.6
61.98825	0.9
67.01903	0.3
68.99812	0.4
69.03452	2.3
71.01376	38.9
71.05002	0.2
72.01714	0.5
72.99306	3.3
73.02942	7.4
75.00868	1.0
78.95896	0.4
80.96516	0.2
81.03450	1.8
83.01384	5.2
83.05020	0.5
84.02153	0.2
84.69072	0.2
85.02946	8.8
86.00097	0.4
87.00870	9.2
87.04507	0.2
89.02440	34.6
90.02774	0.4
91.03984	0.8
93.03431	0.4
95.01379	3.1
97.02946	6.4
97.03580	0.4
98.03280	0.2
98.20762	0.4
99.00880	2.3
99.04507	0.6
101.02437	34.3
101.95518	0.2
102.02764	0.4
103.00368	0.4
103.04014	0.5
109.02940	0.7
111.00882	0.7
111.04510	1.2
112.01673	0.2
113.02444	17.0
115.04021	0.6
116.74574	0.2
117.01910	0.2
119.03496	10.5
120.03860	0.2
121.02943	0.6
123.00925	0.4
123.04539	0.3
124.01672	0.2
125.02441	13.3
126.02789	0.5
127.04009	0.5
127.07637	0.3
129.01936	0.3
131.03476	1.9
133.05055	1.1
137.02448	0.3
139.03964	0.8
141.01904	0.5
141.05579	0.2
142.02797	0.2
143.03490	6.7
145.05093	0.4
149.02483	0.2
149.04510	1.0
152.99615	0.2
155.03481	0.2
157.04977	0.2
161.04549	9.5
162.04816	0.3
167.03481	0.8
167.89883	0.2
169.05051	0.5
171.02869	0.4
179.05594	6.8
180.05913	0.2
185.04536	0.9
199.06110	0.4
203.05608	0.4
205.19611	0.2
217.07088	1.1
219.05080	0.4
221.06615	2.5
222.06828	0.2
227.05539	0.2
229.03798	0.2
233.22763	0.6
235.08203	14.9
236.08505	0.6
245.06636	0.9
253.09261	6.2
254.09525	0.2
259.08289	0.2
259.20636	0.3
263.07660	1.5
275.20120	0.5
277.09677	1.0
277.21692	100.0
278.22046	8.6
287.07697	3.5
288.08026	0.2
291.23260	0.5
305.08731	4.2
306.09155	0.4
310.20407	0.2
323.09741	2.4
324.09799	0.2
361.11404	0.6
379.08051	0.2
379.12460	1.2
397.13464	97.4
398.13818	7.6
415.14532	39.6
416.14932	2.8
509.43564	0.2
577.26434	0.2
593.27283	0.4
675.36078	0.5
676.36688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
57.03449	16.3
59.01378	4.5
70.94501	0.4
70.94839	0.6
71.01384	1.5
73.02935	1.4
81.03428	0.4
83.01396	0.5
85.02951	0.7
87.04486	0.3
89.02441	0.6
96.96045	0.6
97.06606	1.4
99.04519	8.6
101.02443	4.9
113.02450	0.9
114.19955	0.3
123.04510	0.7
125.02454	6.2
125.09719	0.9
137.09761	0.5
139.11275	1.5
143.03488	0.8
155.10779	0.6
157.12321	0.4
161.02457	0.5
161.04546	8.6
167.10704	0.3
169.12343	0.6
179.05609	0.4
185.11813	7.5
203.05643	1.0
204.08788	0.8
213.11296	0.5
214.12115	1.0
215.12860	1.0
228.13727	0.4
233.06702	0.5
243.15918	1.7
255.16052	0.6
263.07666	1.6
267.16290	0.3
305.08740	7.4
305.12213	0.5
306.09152	0.5
311.22211	0.6
317.21402	0.4
322.37451	0.3
335.22372	0.7
341.23297	4.2
342.23810	0.4
353.23285	5.8
354.23727	0.6
369.22870	0.4
371.24344	100.0
372.19852	0.5
372.24710	10.7
385.25851	0.6
413.25366	2.2
580.03101	0.3
677.33838	10.2
678.34119	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	677.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18366	0.1
54.83699	0.1
55.01860	0.2
57.03446	15.3
58.03768	0.2
59.01377	5.0
61.98823	0.6
63.02410	0.2
70.52557	0.4
71.01378	1.3
71.05011	0.3
72.99297	0.2
73.02958	1.0
81.03442	0.5
83.01373	0.4
85.02969	0.7
87.04497	0.6
89.02420	0.2
93.03448	0.2
96.96013	0.2
97.06582	1.4
98.20625	0.2
99.04516	7.3
101.02438	4.5
113.02434	0.6
119.08581	0.2
121.79525	0.1
123.04518	0.5
123.08143	0.4
125.02442	5.1
125.09734	0.8
133.99867	0.2
135.04495	0.3
136.04909	0.2
137.02341	0.2
137.09706	0.5
139.11287	1.4
141.12849	0.3
143.03470	0.6
149.04552	0.1
149.09680	0.2
153.05556	0.2
155.10757	0.3
157.12343	0.7
161.02441	0.3
161.04549	2.5
169.12318	0.6
173.04547	0.4
179.03485	0.3
181.12366	0.2
185.11813	7.3
186.12239	0.3
201.71046	0.2
203.05614	0.7
209.11975	0.2
213.11282	0.4
214.12093	1.6
215.12889	0.7
228.13657	0.6
241.14313	0.3
243.08386	0.2
243.15979	1.7
255.15898	0.4
257.17267	0.2
263.07513	0.3
305.08752	7.2
305.20969	0.3
306.09167	0.4
311.22321	0.6
317.21042	0.2
323.22275	0.3
335.22256	0.6
341.19254	0.3
341.23282	4.2
342.23508	0.5
353.23303	4.4
354.23465	0.3
369.22949	0.3
371.24338	100.0
372.24704	9.9
385.25885	0.5
413.25412	2.0
414.25827	0.2
455.26294	0.2
533.29742	0.7
575.30896	0.5
615.33722	0.1
677.33887	12.3
678.34235	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	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41999	0.4
55.01861	1.1
56.17303	0.3
57.03433	0.6
58.00591	2.0
59.01379	38.1
61.98816	0.4
62.18228	0.4
68.99813	0.8
69.03447	2.5
71.01382	36.3
71.52232	0.5
72.99306	3.0
73.02943	5.6
75.00869	1.0
78.95894	1.1
79.95702	0.7
80.96513	9.7
81.03457	1.4
83.01389	3.8
85.02949	7.3
86.00105	0.5
87.00875	7.8
89.02444	30.3
91.03999	0.6
93.03439	0.4
95.01385	3.0
95.27832	0.4
97.02950	6.2
98.30634	0.4
99.00873	2.3
99.04529	0.4
99.92591	4.1
101.02441	29.9
101.68832	0.4
103.00358	0.5
109.02953	0.8
111.00859	0.9
111.04529	0.8
113.02448	13.3
115.03998	0.6
115.92068	8.3
116.61851	0.4
116.92861	11.2
117.92814	0.8
119.02663	0.6
119.03498	9.8
121.02983	0.6
122.97601	0.9
124.01595	0.5
125.02444	12.6
127.04028	0.6
131.03476	2.0
133.05070	0.8
139.04010	0.8
141.01956	1.0
143.03503	6.0
145.66948	0.4
149.04558	0.9
152.98552	1.6
152.99605	1.7
156.95958	1.5
159.02951	0.5
161.04543	6.9
164.89532	0.5
164.98622	1.1
167.03462	0.8
167.61206	0.4
168.96014	0.5
169.04915	0.5
170.93858	0.6
179.05606	5.5
199.06131	0.7
203.05536	0.5
217.07127	0.8
219.05247	0.4
221.06610	2.1
222.99194	0.4
225.00810	1.9
235.08209	13.8
236.08627	0.6
245.06667	0.8
253.09219	3.4
260.07538	0.4
263.07715	1.7
277.09543	0.7
277.21796	1.4
279.23276	100.0
280.23596	8.6
287.07727	3.5
288.91281	0.4
290.92657	0.8
305.08755	4.8
323.09845	1.4
350.75854	0.5
351.72720	0.4
361.11209	0.6
397.13483	86.6
398.13803	6.2
415.14545	33.9
416.14841	2.3
451.18091	0.4
492.78836	0.5
575.25354	0.6
577.27051	2.9
579.27185	0.9
595.29199	1.4
641.17987	0.5
659.18121	0.5
677.19360	4.5
677.37170	0.8
678.19604	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
59.55685	1.5
61.98821	5.2
67.74783	1.4
78.95895	18.1
83.05019	2.2
93.29278	1.5
96.96996	1.8
123.08206	2.3
125.09770	3.8
139.11237	1.9
141.09206	2.6
142.74858	1.5
152.99574	15.6
161.02496	2.0
171.10214	3.7
199.09741	3.8
200.10446	2.2
201.11304	5.3
209.11818	6.8
222.08719	2.6
223.09639	1.9
241.01292	1.9
247.20721	3.8
277.21796	3.6
291.19556	9.4
295.22763	2.4
307.19049	3.2
308.19589	4.2
309.20688	100.0
310.21106	8.7
331.18738	6.2
381.13522	2.0
593.27448	9.4
629.09857	1.8
659.35699	4.3
677.37585	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	677.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02964	0.2
59.01369	0.2
60.69682	0.1
62.02783	0.1
71.52060	0.2
71.80605	0.1
77.61749	0.1
80.05046	0.1
81.03455	6.7
82.03807	0.2
83.05025	16.7
84.05360	0.5
100.07678	0.3
102.85870	0.1
107.06149	0.3
108.04566	0.6
114.20437	0.1
116.89397	0.1
117.43849	0.1
125.07221	1.0
126.05612	0.4
135.04543	0.1
143.08249	0.7
150.16536	0.1
153.39302	0.1
157.13425	0.2
161.02478	0.1
166.12436	0.1
173.04454	0.1
183.14903	0.1
199.18108	0.1
207.14998	1.4
208.13440	0.2
224.17665	2.6
225.16074	12.4
226.16414	0.6
242.18735	0.7
250.15601	0.3
254.82344	0.1
264.51898	0.1
268.16467	0.1
290.22318	0.3
291.20630	0.2
309.21826	0.7
324.26459	0.6
333.22968	0.9
341.29193	0.9
351.23920	0.2
367.27118	1.3
368.27258	0.1
389.76395	0.1
407.34106	0.2
407.70486	0.1
433.31876	1.0
434.31781	0.1
450.34518	1.5
451.32883	6.5
452.33023	0.7
468.35358	0.1
550.43524	0.9
551.43420	0.1
559.39508	0.4
565.44403	0.2
593.43896	0.6
633.22693	0.1
659.48688	1.6
660.48773	0.3
677.49646	100.0
678.49976	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	679.1511
Annotation	Kaempferol 3-(6G-malonylneohesperidoside)
Peak:m/z	Relative Intensity
51.22648	0.5
59.01376	0.6
63.02390	0.8
65.00341	0.7
68.62666	0.6
68.91376	0.5
69.17614	0.6
69.17922	5.6
74.98566	0.5
85.23770	0.5
93.03526	0.5
96.96066	0.6
98.19955	1.3
102.30931	0.5
102.71038	0.5
107.01412	1.4
132.02240	0.9
135.00899	1.2
151.00345	3.3
160.08743	0.5
161.02432	0.7
163.00397	1.0
178.99841	0.7
183.04448	0.9
187.04022	0.5
191.05695	0.6
211.04077	1.5
213.05756	0.6
227.03485	39.6
228.03899	2.3
229.05023	1.1
239.03442	0.9
255.02977	77.8
256.03513	8.1
257.04440	1.0
281.20096	0.5
283.02460	1.6
284.03253	100.0
285.03790	11.4
371.63239	0.6
471.09357	0.7
635.16113	75.1
636.16626	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	679.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52816	0.3
54.60262	0.3
57.03448	14.3
58.00591	0.5
59.01383	3.8
61.74353	0.3
67.93694	0.3
69.34579	0.3
70.01377	1.1
70.01788	0.5
71.01386	0.9
73.02950	0.6
78.54070	0.3
81.03438	0.7
87.04490	0.5
88.24001	0.3
92.44414	0.3
92.71761	0.3
97.06592	0.5
99.04517	5.8
101.02441	3.2
113.02475	0.7
121.10261	0.8
123.08171	0.8
125.02441	5.0
139.11238	0.7
141.12857	0.6
143.03429	0.6
157.12335	0.7
161.04533	1.8
169.12315	0.8
185.11813	3.8
187.13435	0.3
191.26299	0.3
203.05563	0.6
214.12057	0.7
215.12854	3.0
225.96487	0.3
267.19635	0.4
305.08725	6.0
306.08994	0.4
325.23764	0.7
337.23801	0.5
343.24841	2.4
343.65982	0.3
355.24866	4.4
356.25293	0.5
371.24350	2.0
372.24588	1.7
373.25916	100.0
374.26245	9.5
374.29974	0.2
387.27594	0.8
415.26849	2.5
679.35468	12.1
680.36047	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	679.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	17.9
58.00577	0.4
59.01377	6.6
61.98827	2.6
62.36256	0.3
62.92266	0.3
69.56366	2.1
71.01373	2.9
72.99271	0.7
73.02918	1.3
73.19374	0.3
78.95879	0.4
81.03439	0.6
83.01363	0.6
83.05000	0.6
85.02927	0.9
89.02417	1.0
92.90947	0.3
96.96024	1.6
97.02887	0.4
97.06550	0.4
99.04517	9.2
101.02434	5.7
109.02932	0.4
111.08099	0.4
113.02426	1.2
116.92846	0.9
119.03463	0.4
119.04951	0.4
123.04467	0.9
125.02443	6.9
133.02925	0.6
133.10236	0.4
135.04521	1.7
139.11255	0.9
143.03464	0.7
151.11186	0.4
153.05547	0.7
161.02382	1.2
161.04568	2.6
163.04012	0.5
165.22067	0.3
171.10194	0.6
173.04533	1.1
179.03465	1.2
179.05617	0.8
185.11835	3.6
203.05573	0.4
222.02515	0.4
225.07358	0.3
263.07785	0.4
265.18274	0.4
272.32892	0.3
295.22794	1.3
297.24460	0.4
305.08765	7.5
306.09012	0.6
307.22430	0.5
311.22226	1.4
313.23840	12.0
314.24213	0.9
325.23816	8.6
326.24203	0.9
327.25217	0.8
329.23282	3.3
337.23877	2.3
341.10880	2.6
343.24847	1.2
355.24893	17.0
356.25317	1.7
368.10535	0.3
371.24487	0.5
373.25912	100.0
374.26282	8.4
391.26932	1.5
415.26962	1.6
433.27975	1.0
449.05255	0.3
457.27887	0.4
535.31158	1.3
560.20294	0.4
577.32062	0.7
679.35474	14.9
680.35938	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	679.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.47120	11.4
74.37964	10.5
229.64305	10.7
255.23114	13.2
394.46570	13.5
679.38287	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	681.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	29.0
58.00574	0.6
58.03757	0.5
59.01073	0.5
59.01377	8.0
61.98804	1.2
69.03442	0.6
71.01016	0.4
71.01387	4.1
72.99302	0.4
73.02937	3.0
79.05534	0.9
81.03447	1.1
83.01376	1.5
83.05007	0.5
85.02932	1.6
87.04494	1.4
89.02428	0.8
93.03439	0.5
95.01369	0.6
95.05000	0.4
96.96005	2.3
97.02941	0.7
97.06577	1.3
98.20675	0.8
99.00903	0.4
99.04518	21.9
99.92580	0.5
100.04846	0.6
101.02438	11.0
109.02940	0.7
109.06567	0.6
111.04543	0.6
113.02467	2.5
113.06103	0.9
115.92044	0.6
116.92857	3.0
119.04966	0.4
121.76613	0.3
123.04503	4.0
123.08170	0.8
124.40898	0.4
124.85938	0.4
125.02448	8.6
125.09708	0.6
131.03503	0.5
135.04500	1.4
135.08128	0.7
137.09676	0.5
141.05585	0.7
141.12843	0.6
143.03503	2.5
151.11270	0.4
152.01152	0.7
153.05551	1.3
153.09016	0.4
161.04550	45.4
162.04886	1.1
167.03456	0.6
169.12334	0.9
171.14001	0.4
173.04495	0.8
179.03418	1.0
181.12350	0.7
183.13884	4.2
185.11812	2.6
191.05602	0.6
199.13348	1.6
201.11339	0.5
201.14928	0.5
203.05600	1.4
216.13246	0.4
217.14490	0.6
229.48511	0.4
233.06648	2.4
263.07706	8.3
264.08020	0.5
271.02228	0.6
287.07559	0.6
300.02597	0.6
305.08804	8.8
329.23407	1.8
357.26456	10.7
358.26859	0.8
371.23798	0.4
373.25977	1.3
374.26257	0.9
375.27481	100.0
376.27823	9.7
387.27441	0.7
389.29114	5.5
417.28558	6.5
418.28870	1.0
459.29681	0.6
681.36957	17.8
682.37329	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	681.37
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	14.0
58.00608	0.4
58.03799	0.2
59.01107	0.3
59.01380	3.1
61.98858	0.2
69.03459	0.3
71.01383	0.7
71.51992	0.2
73.02941	0.7
74.11821	0.2
81.03461	0.4
81.54153	0.1
83.01389	0.2
85.02944	0.4
86.41689	0.2
87.04508	0.8
89.02420	0.3
97.06622	0.4
99.04518	6.2
101.02445	3.6
109.06592	0.5
113.02461	0.5
123.04522	0.5
123.08121	0.7
125.02449	5.4
125.09720	0.2
126.02770	0.2
135.08151	0.3
139.11308	0.5
141.09242	0.4
141.12897	0.3
143.03479	0.5
151.11330	0.3
153.01979	0.2
153.05592	0.4
153.09195	0.6
157.12309	1.0
161.04544	1.4
169.12341	1.1
171.94994	0.2
181.12328	0.3
185.11853	1.4
187.13408	0.2
203.05576	0.6
215.12862	1.0
223.13388	0.3
228.13434	0.2
251.20233	0.2
262.12927	0.2
263.07837	0.2
294.83264	0.2
299.30396	0.2
305.08749	6.2
306.09216	0.3
311.22272	0.5
327.21826	0.3
327.25449	0.5
329.23349	1.7
330.23798	0.2
339.25327	0.5
355.24963	0.2
357.26443	4.7
358.26740	0.4
373.25967	2.2
374.26346	0.9
375.27475	100.0
376.27805	10.9
387.27414	0.4
389.28918	1.7
417.28494	2.3
583.33514	0.2
681.36957	13.2
682.37305	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	683.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.7
64.11420	0.6
65.31032	0.6
69.33627	5.2
71.01389	0.8
72.99288	1.9
89.02468	0.7
93.03468	1.8
94.74155	0.6
98.08764	0.7
98.20713	1.3
123.00922	0.9
123.04522	1.9
124.01648	2.9
130.64491	0.6
133.02921	1.6
135.04527	9.7
137.02420	1.5
138.03152	0.6
139.04013	5.3
145.02972	1.7
146.03751	0.6
147.04535	1.1
151.00360	10.8
151.03955	1.1
152.01166	1.3
153.05550	2.2
155.03537	0.8
160.01607	1.2
161.02460	4.0
163.03996	2.5
165.01952	1.0
166.02710	35.1
167.03328	3.1
173.02435	1.6
173.04518	5.9
174.03253	1.9
175.03946	3.2
176.04779	1.0
177.05573	2.0
178.06311	1.6
179.03493	5.1
180.04100	0.8
181.05051	37.2
182.05373	1.4
188.04813	2.0
189.05536	1.9
190.06358	2.7
191.07109	2.4
193.05000	2.9
195.06625	1.6
197.04474	3.7
205.08658	3.4
207.06570	1.9
208.07385	1.1
218.75693	0.6
223.09795	1.2
234.32620	0.7
239.07082	0.8
241.05013	1.3
253.05026	1.4
256.07239	0.8
269.04535	3.0
281.13943	3.0
284.06900	2.0
297.04016	11.2
298.04340	1.0
299.09222	0.8
309.07635	1.1
309.11978	0.6
312.06378	14.6
313.06842	1.0
327.08701	28.6
328.09143	2.9
335.07867	0.9
341.10641	2.9
342.11063	50.4
343.11359	5.4
351.25818	0.6
357.13400	77.9
358.13715	8.2
359.09912	4.1
375.14438	17.8
376.14713	2.5
387.14432	1.9
405.15506	100.0
406.15912	10.3
417.15549	10.7
418.15790	1.8
435.16611	10.7
436.17160	1.1
447.16577	1.0
477.17685	1.2
521.12897	4.0
522.12946	0.9
613.61407	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93298	1.0
53.42314	1.4
55.01954	1.1
57.03443	2.9
59.01363	4.1
59.23782	1.1
61.98830	27.5
68.18568	1.0
69.03450	1.1
71.01359	3.5
71.52735	1.7
78.95911	2.1
85.02931	1.7
87.00869	1.2
95.05018	2.7
97.06586	13.5
101.02427	2.5
113.02435	1.8
123.08174	9.2
123.88808	1.1
125.09718	69.5
126.10056	3.6
129.76611	1.1
145.84180	1.1
161.04565	1.4
169.08592	1.8
187.08102	2.4
187.09741	29.5
200.84628	1.1
235.08200	3.4
253.09386	2.2
277.21701	38.1
278.21890	3.4
323.03217	1.4
405.17468	4.3
423.18552	4.7
651.24573	1.6
683.40082	100.0
684.40375	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	5.0
59.01364	4.5
61.98826	19.5
71.01373	3.3
71.52505	1.4
87.82851	1.3
89.02427	4.1
97.06581	12.6
101.02418	3.6
103.12813	1.1
113.02473	1.5
123.08160	6.5
125.09719	100.0
126.10041	3.9
143.10753	1.7
145.48375	1.0
169.08710	1.9
187.09744	70.9
253.09221	2.7
277.21695	14.4
405.17514	4.2
420.43033	1.7
423.18726	12.4
546.63123	1.4
683.40106	99.2
684.40375	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	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
61.98839	3.6
62.24672	0.5
68.99760	0.5
69.18037	2.3
69.18469	3.4
71.01392	1.9
72.99310	0.7
73.02956	1.4
74.91506	0.7
75.00860	0.8
78.95895	3.6
79.95731	3.4
85.02965	1.2
87.00909	0.7
88.98804	0.9
89.02415	0.8
91.13606	0.6
93.03445	0.9
96.96009	100.0
96.96889	3.7
99.04485	0.6
101.02392	1.2
105.01931	0.7
106.48325	0.8
108.02175	2.7
109.02953	2.7
111.04573	0.7
113.02453	1.2
114.16283	0.6
114.93397	1.6
116.92853	0.8
119.05016	1.8
122.06084	0.7
123.04505	4.0
125.09728	1.0
133.02980	1.8
134.03749	8.7
135.04558	3.8
137.02422	2.2
139.03978	0.6
145.02945	1.7
149.06119	3.6
150.03282	0.7
150.06862	23.9
151.03954	1.0
151.07158	1.0
152.01155	3.6
153.01942	2.1
153.05576	3.4
156.99060	1.0
158.03580	0.7
161.02437	7.5
163.03979	1.6
163.07632	8.7
164.08417	5.0
164.25453	0.6
165.05766	0.6
167.03491	4.9
171.10245	2.4
173.04538	1.5
173.23376	0.6
175.04015	0.7
177.01846	0.7
177.09261	1.0
178.02715	6.5
178.09929	0.8
179.03482	2.0
179.10773	12.9
181.05092	3.1
181.06381	0.6
191.05589	0.9
193.05051	17.5
194.05363	1.0
197.04492	0.7
201.11290	2.7
213.95494	0.6
230.95557	0.7
271.02417	0.8
310.88852	0.6
311.22348	0.8
313.20258	3.6
314.04337	0.7
315.05164	1.1
320.19876	1.1
321.20703	1.8
323.22144	0.6
325.20105	1.2
343.08304	1.1
343.21246	1.0
350.20969	1.2
351.21826	1.6
352.69913	0.6
373.25739	2.8
387.23947	0.8
413.13840	0.8
460.32202	0.9
475.30551	1.3
492.31076	3.1
493.31808	5.3
501.30783	1.2
503.10034	0.7
504.31143	3.3
505.31519	5.8
506.31866	1.0
513.26886	1.4
522.32037	4.9
523.32709	6.2
543.31805	3.0
623.13623	2.8
642.30530	0.8
667.37555	3.1
685.28961	5.9
685.38208	87.6
686.29401	1.4
686.38654	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.38
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	10.2
61.98839	3.6
62.24672	0.5
68.99760	0.5
69.18037	2.3
69.18469	3.4
71.01392	1.9
72.99310	0.7
73.02956	1.4
74.91506	0.7
75.00860	0.8
78.95895	3.6
79.95731	3.4
85.02965	1.2
87.00909	0.7
88.98804	0.9
89.02415	0.8
91.13606	0.6
93.03445	0.9
96.96009	100.0
96.96889	3.7
99.04485	0.6
101.02392	1.2
105.01931	0.7
106.48325	0.8
108.02175	2.7
109.02953	2.7
111.04573	0.7
113.02453	1.2
114.16283	0.6
114.93397	1.6
116.92853	0.8
119.05016	1.8
122.06084	0.7
123.04505	4.0
125.09728	1.0
133.02980	1.8
134.03749	8.7
135.04558	3.8
137.02422	2.2
139.03978	0.6
145.02945	1.7
149.06119	3.6
150.03282	0.7
150.06862	23.9
151.03954	1.0
151.07158	1.0
152.01155	3.6
153.01942	2.1
153.05576	3.4
156.99060	1.0
158.03580	0.7
161.02437	7.5
163.03979	1.6
163.07632	8.7
164.08417	5.0
164.25453	0.6
165.05766	0.6
167.03491	4.9
171.10245	2.4
173.04538	1.5
173.23376	0.6
175.04015	0.7
177.01846	0.7
177.09261	1.0
178.02715	6.5
178.09929	0.8
179.03482	2.0
179.10773	12.9
181.05092	3.1
181.06381	0.6
191.05589	0.9
193.05051	17.5
194.05363	1.0
197.04492	0.7
201.11290	2.7
213.95494	0.6
230.95557	0.7
271.02417	0.8
310.88852	0.6
311.22348	0.8
313.20258	3.6
314.04337	0.7
315.05164	1.1
320.19876	1.1
321.20703	1.8
323.22144	0.6
325.20105	1.2
343.08304	1.1
343.21246	1.0
350.20969	1.2
351.21826	1.6
352.69913	0.6
373.25739	2.8
387.23947	0.8
413.13840	0.8
460.32202	0.9
475.30551	1.3
492.31076	3.1
493.31808	5.3
501.30783	1.2
503.10034	0.7
504.31143	3.3
505.31519	5.8
506.31866	1.0
513.26886	1.4
522.32037	4.9
523.32709	6.2
543.31805	3.0
623.13623	2.8
642.30530	0.8
667.37555	3.1
685.28961	5.9
685.38208	87.6
686.29401	1.4
686.38654	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87478	0.2
59.01366	0.9
61.98815	0.4
65.75198	0.2
71.01369	0.4
71.51633	0.3
72.99305	10.9
73.07284	0.2
76.51070	0.2
91.05505	0.2
93.03452	1.2
96.96010	0.4
96.96918	0.2
99.08128	0.3
101.02470	0.3
105.03489	0.2
107.05032	0.6
108.02198	0.4
109.02946	2.4
117.03468	1.5
117.62503	0.2
119.05019	5.8
121.02955	0.5
123.04520	3.9
132.02151	1.2
133.02957	20.2
134.03847	1.4
135.04523	25.3
136.04825	1.1
137.02451	0.5
145.02948	4.7
145.08746	1.4
146.03242	0.2
149.06134	0.3
151.04025	0.6
153.01936	0.6
159.04546	1.4
161.02437	100.0
162.02782	4.2
163.04016	3.6
171.04536	0.2
173.04536	0.3
175.04077	0.2
179.03491	14.1
180.03888	0.9
181.05075	5.8
182.05379	0.3
187.04004	0.7
187.09744	0.7
193.05051	0.3
197.04549	16.8
198.04889	0.8
223.02486	0.9
227.07095	0.6
235.07698	0.3
239.07112	1.9
253.08861	0.3
255.10228	2.3
256.10532	0.3
263.07266	0.5
265.04990	0.7
266.05792	1.0
279.06683	0.4
281.08212	3.1
282.08386	0.3
299.09280	0.3
307.06085	1.5
325.07169	6.4
326.07394	0.7
327.08704	0.6
341.06613	0.3
343.08221	4.4
344.08289	0.4
359.07703	32.7
360.08121	3.0
361.09406	0.3
445.12918	0.7
463.13980	1.6
479.13519	0.7
489.12000	1.5
505.11191	0.6
507.13235	0.3
523.12366	2.0
524.12769	0.5
687.16876	2.0
687.32343	0.5
688.17950	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	6.1
59.01654	0.6
61.98829	1.9
71.01375	2.9
72.99300	1.2
73.02959	0.9
83.01405	0.7
83.05042	1.4
85.02987	0.6
87.00890	0.6
89.02432	0.6
93.03452	1.1
96.96034	3.2
97.02951	1.0
97.53461	0.5
101.02457	1.8
101.68482	0.5
108.02168	2.7
109.02940	2.0
110.03738	0.6
111.00870	0.6
111.04517	1.5
113.02444	1.4
116.92870	1.0
119.05023	1.2
120.51550	0.5
121.02943	1.8
123.04512	10.3
123.08143	0.8
124.04895	1.1
125.02445	1.3
133.02927	2.5
134.03738	70.3
135.04608	4.4
135.08141	0.6
136.01683	1.5
136.05196	0.5
137.02434	8.8
139.03975	2.6
147.04593	0.6
149.02513	0.8
149.06071	29.3
150.03238	1.3
150.06476	0.7
151.04015	1.7
152.01151	3.3
153.01859	1.0
153.05574	7.9
161.02475	6.3
161.04543	0.8
161.09647	0.6
163.04044	0.9
163.11311	1.3
165.12674	0.7
167.03477	6.0
168.00731	1.1
168.03828	1.8
169.12354	1.8
171.10283	7.1
173.04538	1.0
175.03888	0.6
177.01929	0.9
178.02710	37.8
179.03375	3.1
179.10747	1.1
181.05043	0.6
185.11958	0.9
189.47630	0.5
191.05598	0.7
193.05046	100.0
194.05397	5.3
195.06639	9.7
197.04575	0.9
197.11792	3.9
205.08731	1.5
207.10254	1.9
209.11827	13.5
210.12074	0.7
223.09795	3.4
225.11382	2.5
227.12930	2.5
235.06018	0.5
235.08186	0.7
253.09276	1.5
292.81369	0.6
329.23154	1.7
333.21082	0.6
349.20044	1.7
359.07507	0.9
373.26074	0.5
459.18582	0.6
461.19821	0.6
501.31299	0.6
623.19647	0.6
651.31348	0.6
657.29108	1.2
669.30969	1.7
687.30145	73.9
688.30554	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.5
57.03442	1.1
57.97173	0.3
59.01379	4.2
61.98824	0.7
67.01874	0.3
69.03449	3.9
70.03605	0.5
70.03991	0.7
71.01376	4.5
71.05010	1.0
72.99306	0.5
73.02950	1.0
80.02678	1.0
81.03451	1.7
83.01405	1.0
83.05023	4.7
84.02167	0.7
85.02941	1.6
87.00890	0.9
89.02451	2.2
93.03451	0.5
95.01393	0.6
95.05022	1.0
97.02953	0.9
97.06586	1.1
99.00892	0.6
101.02434	3.7
107.04990	0.3
109.06589	0.8
113.02422	1.9
119.03479	0.7
119.04967	0.4
123.04552	0.7
123.08145	0.7
125.02429	0.3
125.06081	0.4
125.09705	2.4
131.83478	0.3
134.03754	0.3
135.04555	0.4
135.08153	0.5
145.05048	0.4
149.09789	0.5
151.11266	2.4
153.12810	0.8
161.02415	0.4
161.04541	1.0
161.09706	4.0
163.11278	4.0
165.12851	2.0
171.10272	1.0
173.04570	0.4
175.63058	0.3
177.09195	0.3
179.03421	0.5
179.05597	0.6
179.10757	6.0
181.12352	0.6
191.03595	0.3
191.10765	0.7
193.05052	0.4
197.11821	45.9
198.12178	2.9
207.10286	1.5
209.11813	56.9
210.12141	3.7
223.09695	1.2
225.11325	2.2
227.12895	4.1
228.13121	0.3
235.08092	0.5
241.10783	2.5
243.12234	0.7
253.09270	2.6
282.29614	0.3
357.26266	0.4
397.52545	0.3
408.89725	0.4
459.18814	0.8
477.19980	1.6
525.27039	0.6
669.30963	1.2
687.32263	100.0
688.32629	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	687.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40676	0.5
53.35038	0.6
56.61999	0.6
57.03442	0.6
59.01382	8.5
61.98820	1.6
68.99802	1.1
69.03435	0.8
71.01375	7.9
72.99317	1.1
73.02928	2.3
80.02659	1.3
81.03441	2.0
83.01372	1.4
83.05032	6.1
84.02178	1.5
85.02934	1.6
87.00880	0.6
88.98809	1.0
89.02441	4.3
95.01408	0.7
95.04989	0.7
96.96003	1.2
97.02937	2.1
97.06554	0.9
101.02458	4.6
102.05563	0.9
109.02890	1.3
109.06557	2.2
111.04491	2.5
113.02417	2.9
116.92860	1.3
119.03471	0.9
119.04984	0.7
121.02835	0.7
123.04507	6.7
123.08178	0.8
125.02400	1.7
125.09711	2.0
128.03499	0.8
134.03745	4.4
135.04489	1.9
135.08168	1.2
137.02361	0.6
139.03972	0.7
141.09128	0.6
146.04567	0.6
149.06059	1.5
150.06839	0.6
151.11247	2.1
153.05565	4.5
153.09177	0.7
153.12825	1.5
161.02386	2.7
161.04526	1.5
161.09729	1.7
162.06746	0.7
163.07639	0.6
163.11255	5.4
165.12822	3.1
167.03502	1.1
169.01405	3.0
169.12334	29.5
170.12712	1.7
171.10263	13.1
173.04539	0.8
177.01947	0.8
177.09102	1.0
178.02687	2.6
179.03484	1.5
179.05493	1.3
179.10742	2.8
187.09666	0.9
191.10747	1.6
193.05057	9.3
197.11821	54.1
198.12173	3.1
205.08582	1.5
207.10216	2.8
209.11813	74.6
210.12202	3.7
213.11304	1.1
215.12900	0.8
223.09744	7.3
224.09998	0.6
224.98355	0.7
225.11237	3.5
227.12881	8.0
235.08125	2.6
241.10811	1.3
253.09258	6.9
295.12906	0.7
329.23233	1.5
433.20990	0.9
459.18561	1.2
459.62384	0.7
606.63940	0.7
643.39594	1.8
651.29889	1.4
669.31036	4.5
687.32184	100.0
688.32544	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.396
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
54.56083	0.5
56.55402	0.6
57.03455	0.7
59.01383	3.9
61.98837	2.8
61.99104	0.7
64.20778	0.5
71.01376	3.0
71.51810	0.6
72.99308	2.4
73.02932	0.9
85.02949	1.0
87.04523	0.7
93.03472	1.6
95.01417	0.5
96.36362	0.6
96.96030	1.2
97.02959	0.8
99.04504	1.0
100.05990	0.5
101.02444	1.9
108.02182	1.7
109.02990	3.9
113.02514	0.8
113.18636	0.6
118.04994	0.5
118.05812	0.6
119.05042	0.8
123.04533	9.4
124.04859	0.9
125.09689	0.7
133.02873	2.7
134.03752	2.8
135.04523	5.4
135.08139	0.9
137.02452	1.3
139.03979	0.8
145.02940	0.8
147.48734	0.5
149.02391	0.7
149.06090	3.4
150.06865	27.3
151.04034	0.9
151.07285	1.1
152.01122	1.4
153.01912	3.2
153.05573	8.6
155.10812	0.6
161.02448	9.4
162.02818	0.9
162.06897	1.0
163.04016	1.9
163.07642	14.8
164.08400	6.0
167.03490	0.7
171.10249	3.0
173.04585	1.9
177.01935	1.0
177.09265	0.9
178.02745	1.2
178.10023	0.8
179.03508	3.5
179.10776	13.3
179.12271	1.1
181.05080	0.9
191.05487	0.9
192.30228	0.6
193.05052	3.7
197.04573	1.7
201.11330	1.3
209.11786	3.3
215.12906	1.2
223.09763	0.6
267.06650	1.9
285.07541	0.8
293.04822	0.7
295.22696	0.6
311.05542	0.7
313.23846	1.9
315.21658	5.8
327.21732	2.0
343.24881	0.8
359.07730	2.5
371.24380	0.9
375.27588	1.3
389.25436	1.5
448.31720	0.9
462.33423	2.2
469.20978	1.0
477.32333	2.1
489.32117	0.9
494.32520	6.3
495.33249	9.1
496.33694	1.3
506.32574	4.0
507.33185	6.3
508.33676	1.4
513.19574	1.0
524.33600	9.8
525.34198	7.5
526.34717	1.2
576.59338	0.7
657.39246	0.8
669.38629	1.6
687.39746	100.0
688.40094	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	688.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.5
61.98829	100.0
62.98538	0.2
63.57193	0.1
69.37138	0.9
71.01373	0.2
82.88739	0.1
89.02428	0.1
96.96026	0.2
101.02415	0.2
113.34748	0.1
160.08960	0.3
167.21616	0.1
175.11313	0.5
209.11787	0.2
219.10303	0.2
399.16595	1.2
654.14832	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	689.3394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12887	0.8
57.03440	1.7
59.01380	10.2
59.01666	1.5
61.98834	5.8
69.53515	4.8
71.01377	8.8
71.05019	2.7
73.02934	2.2
78.95926	0.8
79.95729	1.1
79.96962	0.7
80.02659	1.1
80.96545	0.9
81.03454	1.8
83.01398	0.8
83.05022	4.6
84.02140	1.0
85.02950	1.9
87.00848	1.9
89.02424	4.0
93.03453	1.4
95.05010	1.8
96.96000	2.3
97.02952	4.5
97.06585	1.3
99.00871	11.2
101.02433	6.1
108.02199	1.2
109.02954	0.8
109.06572	4.0
110.03786	0.9
113.02436	2.6
117.40413	0.7
119.03498	1.1
119.05011	0.9
123.04498	1.8
123.08111	1.2
125.09707	5.4
127.11241	1.3
133.02957	0.9
134.03693	1.1
135.04520	5.0
135.08156	1.4
136.05267	1.0
142.02672	1.5
145.04973	1.0
151.03993	1.1
151.07596	1.3
161.02415	3.1
161.04533	1.8
163.03865	0.8
163.11281	10.8
165.09219	0.8
165.12823	2.6
169.12337	1.2
170.12622	1.2
171.10265	9.2
173.04510	2.0
177.01910	1.3
179.03436	2.0
179.10641	0.7
181.12335	14.1
185.11809	1.8
191.05643	1.3
193.04999	2.1
195.06602	11.0
197.11803	3.3
197.38795	0.8
199.09747	1.4
199.13419	13.6
201.11330	10.4
207.10242	31.4
207.12201	1.8
208.10669	2.2
209.11815	79.2
210.12140	5.6
225.11305	50.1
226.11597	3.5
227.12886	13.3
235.08221	1.7
243.12358	11.7
244.12683	0.9
251.12802	0.9
253.09320	7.2
399.21747	1.2
445.20551	0.9
451.33160	1.0
461.20288	8.2
479.21347	1.8
609.29370	1.4
627.30328	2.2
635.30652	1.4
645.31665	3.1
653.31415	4.8
671.23004	1.1
671.33002	5.8
672.33472	1.6
689.33716	100.0
690.33984	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	689.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72358	1.1
59.01376	3.9
61.98832	2.1
74.06787	1.2
78.95902	40.0
80.02672	1.4
81.03462	3.5
82.71146	1.1
83.05033	2.0
89.15585	1.3
96.96983	3.1
97.02951	4.3
109.06596	32.7
121.06606	2.2
122.03917	1.2
123.04462	1.4
135.08127	1.8
142.02730	1.7
149.84920	1.4
152.99590	57.3
163.11293	14.9
171.00648	4.7
179.10751	2.3
181.12318	8.0
182.12511	1.2
185.55699	1.2
207.10257	46.7
207.12228	2.7
208.10567	2.9
225.11302	29.8
226.11647	1.9
227.03288	5.0
253.21713	20.3
254.21925	1.3
255.23282	4.9
324.59915	1.3
361.10495	7.6
361.17670	1.2
435.14264	7.0
453.15302	100.0
454.15390	8.9
483.26999	2.3
508.07281	1.5
511.84076	1.2
689.36694	57.3
690.36914	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.7
61.98822	6.5
68.42268	1.3
70.13742	1.2
70.78645	4.0
71.01381	32.8
72.99312	4.0
73.02968	2.0
78.24680	1.6
78.95901	7.1
80.50669	1.4
82.81025	1.6
85.02962	6.2
87.00925	1.5
89.02443	46.7
95.01390	2.6
97.02950	2.0
101.02438	18.3
105.16682	1.4
109.06599	2.8
113.02431	13.0
119.03498	22.8
131.03456	3.3
143.03529	3.9
152.99593	11.4
161.04556	5.2
163.11261	2.2
169.12335	100.0
170.12682	4.4
179.05594	22.4
180.05936	1.6
181.12349	3.3
187.13486	3.2
207.10239	10.5
225.11354	15.7
227.03134	1.8
253.21729	4.7
301.02698	1.5
315.33945	1.5
339.25433	4.8
349.18640	28.1
350.19113	3.2
361.10721	1.6
453.15308	22.5
454.16214	1.8
519.31805	2.2
539.12201	1.4
689.36633	14.1
690.36322	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58129	2.4
56.60106	1.8
59.01370	4.6
59.55168	2.0
61.98830	2.7
71.01380	2.3
71.51871	3.2
72.99328	2.5
80.10500	2.4
86.01788	2.1
93.03380	2.5
96.95992	4.7
107.82594	2.2
108.02234	2.4
108.04547	6.0
109.02940	3.5
115.44585	2.2
121.02927	2.6
122.06113	12.6
132.04543	5.5
134.06082	3.6
134.93634	2.2
135.04628	4.6
148.04105	2.2
149.04807	5.8
150.05589	4.5
153.00145	2.9
160.04060	15.2
161.02460	3.9
161.04703	3.1
162.05629	3.8
164.07182	3.0
173.04559	3.7
175.05197	2.5
176.07196	4.4
179.61307	1.9
184.07713	2.0
188.03493	10.8
189.04193	2.2
190.05095	7.2
191.05638	2.4
198.05479	2.1
202.04991	3.4
202.08688	4.9
209.11824	2.1
211.12372	2.5
213.10294	6.3
215.11813	2.2
218.04483	8.4
219.05090	2.1
224.09489	4.8
226.07390	4.2
227.08228	5.7
227.11345	2.1
229.06479	2.4
239.11871	19.5
240.10210	2.9
241.09848	22.3
243.11447	2.8
245.09235	4.8
251.08209	3.8
252.08990	4.0
253.06061	5.1
253.09764	3.6
254.06731	3.1
255.07607	3.6
255.11368	5.7
265.09946	3.4
265.45123	2.2
267.07706	8.3
267.11313	17.9
268.08557	3.9
269.09363	4.4
271.10931	21.2
279.07681	2.5
281.05597	11.6
281.09039	4.3
282.09915	3.4
283.07956	2.5
283.10855	72.6
284.11169	5.4
293.09171	6.5
295.07269	5.0
295.10678	4.2
296.07977	5.6
307.10815	2.9
309.08865	5.5
311.10358	100.0
312.10645	8.2
313.12146	3.1
323.09766	2.5
325.12201	2.5
337.08240	9.2
353.14847	4.6
355.09314	8.4
361.15152	2.9
367.08148	2.4
373.15515	2.7
387.11896	6.2
482.21353	2.6
523.23132	2.3
525.20648	2.9
529.18359	2.3
549.36328	2.3
555.22510	21.5
556.22662	3.6
567.22198	5.4
576.10553	2.0
579.22168	6.0
581.19916	2.3
597.23615	46.2
598.23700	9.7
599.21344	64.2
600.21570	10.8
615.24554	28.5
616.24426	5.6
623.21259	5.0
631.23993	35.3
632.24426	7.2
641.22522	99.6
642.22888	13.9
659.23602	81.9
660.24042	14.7
673.25055	35.0
674.25476	4.1
691.26556	30.8
692.26324	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79784	2.8
57.03450	7.5
57.59776	2.6
59.01382	12.1
60.49931	2.7
61.98842	7.1
71.01395	4.4
71.51414	2.8
72.99337	4.4
85.02943	3.5
93.03477	4.8
96.96017	11.6
99.04504	4.3
101.02438	7.6
108.04580	9.5
109.02943	6.0
116.92855	4.7
122.06106	11.0
123.04537	4.3
125.02422	3.2
132.04520	4.3
135.04532	9.6
136.14272	3.6
149.04819	4.9
150.05588	7.0
160.04044	19.4
160.06361	3.1
160.07700	4.2
161.02489	6.0
161.04666	5.5
162.05609	3.2
173.04594	8.1
176.07202	4.8
177.01924	5.1
179.03525	5.7
179.10722	5.1
188.03520	10.1
190.05145	7.1
191.05634	7.2
197.04553	4.8
203.10786	3.4
209.11842	9.3
212.09282	3.2
213.10400	3.3
215.11906	7.7
218.04539	5.5
224.09521	6.0
239.11925	20.2
240.10262	4.0
241.09805	21.8
245.09399	3.4
252.09193	5.4
253.06128	6.8
253.09755	6.6
255.11505	7.7
263.68622	3.4
265.09793	4.1
267.07874	7.1
267.11377	20.1
268.09302	3.4
269.09222	7.4
271.10944	21.0
279.07712	4.5
279.11063	4.2
281.05600	12.2
283.10864	81.5
293.09366	7.8
295.07294	6.9
295.10562	5.0
296.07889	6.1
296.11710	5.3
305.08945	3.5
309.08948	6.7
311.10330	98.7
312.10648	8.1
320.21765	3.5
325.12369	4.6
335.12436	5.1
337.08209	9.6
353.15036	4.9
355.09253	10.5
367.08102	6.8
385.15115	5.7
387.12219	6.3
525.21362	4.4
539.22821	3.2
555.22491	25.4
567.22089	4.9
579.22186	5.2
597.23523	57.1
598.23761	8.5
599.21454	69.1
600.21826	11.5
615.24597	32.7
616.25085	3.6
623.21332	5.7
631.24182	34.6
632.24207	6.7
632.88373	3.3
633.49066	3.6
641.11932	5.6
641.22498	100.0
642.22968	17.8
659.23566	90.1
660.24194	18.5
673.25024	34.6
674.25507	9.8
691.25800	39.3
692.26044	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58129	2.4
56.60106	1.8
59.01370	4.6
59.55168	2.0
61.98830	2.7
71.01380	2.3
71.51871	3.2
72.99328	2.5
80.10500	2.4
86.01788	2.1
93.03380	2.5
96.95992	4.7
107.82594	2.2
108.02234	2.4
108.04547	6.0
109.02940	3.5
115.44585	2.2
121.02927	2.6
122.06113	12.6
132.04543	5.5
134.06082	3.6
134.93634	2.2
135.04628	4.6
148.04105	2.2
149.04807	5.8
150.05589	4.5
153.00145	2.9
160.04060	15.2
161.02460	3.9
161.04703	3.1
162.05629	3.8
164.07182	3.0
173.04559	3.7
175.05197	2.5
176.07196	4.4
179.61307	1.9
184.07713	2.0
188.03493	10.8
189.04193	2.2
190.05095	7.2
191.05638	2.4
198.05479	2.1
202.04991	3.4
202.08688	4.9
209.11824	2.1
211.12372	2.5
213.10294	6.3
215.11813	2.2
218.04483	8.4
219.05090	2.1
224.09489	4.8
226.07390	4.2
227.08228	5.7
227.11345	2.1
229.06479	2.4
239.11871	19.5
240.10210	2.9
241.09848	22.3
243.11447	2.8
245.09235	4.8
251.08209	3.8
252.08990	4.0
253.06061	5.1
253.09764	3.6
254.06731	3.1
255.07607	3.6
255.11368	5.7
265.09946	3.4
265.45123	2.2
267.07706	8.3
267.11313	17.9
268.08557	3.9
269.09363	4.4
271.10931	21.2
279.07681	2.5
281.05597	11.6
281.09039	4.3
282.09915	3.4
283.07956	2.5
283.10855	72.6
284.11169	5.4
293.09171	6.5
295.07269	5.0
295.10678	4.2
296.07977	5.6
307.10815	2.9
309.08865	5.5
311.10358	100.0
312.10645	8.2
313.12146	3.1
323.09766	2.5
325.12201	2.5
337.08240	9.2
353.14847	4.6
355.09314	8.4
361.15152	2.9
367.08148	2.4
373.15515	2.7
387.11896	6.2
482.21353	2.6
523.23132	2.3
525.20648	2.9
529.18359	2.3
549.36328	2.3
555.22510	21.5
556.22662	3.6
567.22198	5.4
576.10553	2.0
579.22168	6.0
581.19916	2.3
597.23615	46.2
598.23700	9.7
599.21344	64.2
600.21570	10.8
615.24554	28.5
616.24426	5.6
623.21259	5.0
631.23993	35.3
632.24426	7.2
641.22522	99.6
642.22888	13.9
659.23602	81.9
660.24042	14.7
673.25055	35.0
674.25476	4.1
691.26556	30.8
692.26324	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
57.03426	0.4
58.00585	0.5
59.01377	16.0
61.98814	0.9
69.03457	0.7
69.70177	1.5
70.68987	0.2
71.01380	12.3
72.86447	0.3
72.99329	1.4
73.02956	1.9
75.00867	0.3
81.03445	0.4
83.01385	1.2
83.05012	0.3
85.02936	2.6
85.16900	0.2
87.00863	2.6
89.02441	9.9
94.50629	0.3
95.01392	0.8
97.02962	1.5
99.00880	0.7
101.02443	9.1
102.02749	0.2
109.06568	0.3
111.04492	0.3
111.08122	0.4
113.01727	0.4
113.02457	5.3
119.03500	2.8
125.02446	2.3
131.03491	0.8
135.04556	0.4
139.03990	0.3
141.01907	0.3
143.03490	1.4
149.04454	0.3
154.09488	0.2
161.02498	0.3
161.04555	1.9
171.10258	0.3
179.05600	2.7
179.14403	0.7
195.13890	7.6
196.14447	0.9
205.12305	0.9
207.10202	0.7
209.11830	1.4
211.13403	1.0
221.06659	1.0
223.13370	5.5
224.13689	0.6
225.11200	0.3
225.14970	0.4
227.12852	0.3
228.13620	0.7
231.21187	0.3
235.08202	3.3
247.45384	0.2
249.22226	0.4
253.09245	1.5
256.13116	1.1
263.07581	0.4
265.21649	0.5
275.20145	4.2
276.20389	0.6
287.07745	0.6
293.21210	100.0
294.21530	9.9
305.08798	1.1
323.09695	0.4
397.13464	23.7
398.13754	2.0
415.14545	27.2
416.14902	2.0
647.34253	0.3
654.27594	0.5
691.35022	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	691.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.5
57.03435	0.5
57.27190	0.2
58.00595	0.6
59.01378	14.7
61.98818	0.9
64.95572	0.2
69.03454	0.8
71.01380	14.4
72.01741	0.3
72.99301	1.2
73.02948	1.9
73.17726	0.2
75.00877	0.2
81.03447	0.4
83.01381	1.3
83.05007	0.2
85.02953	2.8
87.00878	2.7
89.02441	11.6
91.04026	0.3
93.03455	0.5
95.01385	0.8
97.02950	1.6
97.06541	0.2
99.00886	0.6
99.04501	0.3
99.21874	0.2
101.02438	9.1
103.42686	0.2
108.33997	0.2
111.04506	0.4
111.08157	0.5
113.02449	4.3
119.03497	3.0
121.02983	0.3
125.02434	3.0
131.03499	0.3
133.02945	0.2
133.05066	0.2
143.03468	1.8
149.04591	0.3
151.03940	0.2
161.02470	0.4
161.04558	2.2
163.04034	0.3
167.10808	0.3
171.10226	0.3
177.12866	0.4
179.03413	0.2
179.04021	0.2
179.05627	2.7
179.14378	0.8
183.10255	0.3
185.04620	0.3
195.13896	7.8
196.14418	0.6
205.12299	0.6
205.15993	0.6
209.11748	0.3
211.13367	0.9
221.06633	1.0
223.13383	5.3
223.93091	0.2
224.13907	0.3
228.13622	0.5
231.21207	0.3
235.08218	3.0
253.09314	1.4
256.13147	0.9
263.07684	0.4
265.21786	0.5
275.20126	4.5
277.09134	0.2
287.07660	0.6
293.21213	100.0
294.21536	8.7
305.08853	1.0
323.09756	0.4
397.13489	23.9
398.13916	1.8
415.14548	26.4
416.14880	2.2
654.27307	0.7
691.35632	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84792	0.2
57.03429	0.6
58.00602	0.4
59.01374	2.7
61.98840	1.0
68.99816	0.2
69.03465	0.2
71.01376	2.3
72.99287	0.5
73.02940	0.6
74.27856	0.2
80.02660	0.9
81.03458	1.1
83.01406	0.3
83.05019	3.7
84.02174	0.6
85.02952	0.7
87.00890	0.5
89.02460	1.2
93.03457	0.9
95.01373	0.2
95.05022	0.9
96.96019	0.7
101.02441	2.0
109.02950	0.4
109.06590	0.2
111.04497	0.3
111.08104	0.3
112.70994	0.2
113.02434	1.0
119.03513	0.5
119.05046	0.3
123.04527	0.9
125.06052	0.5
125.09710	0.9
127.11302	1.1
133.02931	0.9
133.05783	0.2
134.03661	0.3
135.04555	1.4
135.08151	0.7
136.04753	0.2
137.02448	0.5
137.09770	0.3
139.11217	0.4
140.68190	0.2
143.03508	0.3
145.04947	0.3
153.05583	1.2
155.10796	0.7
161.02428	1.0
161.04544	1.3
163.03983	0.4
163.11288	3.3
164.11650	0.3
165.09187	0.2
165.12840	2.0
165.81145	0.2
171.10289	1.5
172.10678	0.3
173.04520	2.3
177.01904	1.0
179.03452	0.7
179.05579	0.3
181.12309	0.7
185.11836	0.4
191.05592	0.5
191.10742	0.8
193.05066	0.4
195.06622	0.8
199.09741	0.6
201.11310	24.4
202.11693	1.3
207.10219	0.3
209.11810	100.0
210.12146	6.5
225.11278	0.4
226.11571	0.2
227.12881	15.1
228.13176	1.0
235.08180	3.2
247.13419	0.3
253.09276	8.3
254.09599	0.5
271.10818	0.3
351.07034	0.8
375.21661	0.6
385.22308	1.0
393.22833	0.5
419.18781	0.2
437.20041	1.4
445.20767	2.8
446.20831	0.3
463.21524	0.4
597.23914	0.3
611.30524	0.3
629.31268	0.3
631.31232	0.5
637.33167	0.3
638.33051	0.3
647.31812	0.3
648.33154	0.2
655.32935	0.2
673.34094	0.4
691.32532	0.8
692.33112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.4
58.00591	0.5
59.01384	5.5
61.98829	8.2
66.72565	0.4
71.01374	2.8
71.06699	0.8
72.99314	0.6
73.02954	1.1
80.02663	0.8
81.03458	0.9
83.01389	0.5
83.05028	3.5
84.02200	0.7
85.02955	1.2
87.00880	0.7
88.98814	0.4
89.02444	1.6
93.03455	3.7
95.05013	0.7
96.96004	1.6
99.00841	0.6
99.04512	2.2
101.02453	2.9
102.05589	0.6
108.51244	0.4
109.03004	0.6
113.02463	1.1
119.03511	0.4
119.05067	0.6
123.04507	0.8
125.02428	0.9
125.09704	0.9
127.11301	1.5
128.03484	0.4
134.03674	0.4
135.04567	1.9
135.08173	0.5
137.02448	4.0
139.04021	0.4
139.11316	0.4
149.02391	0.4
151.96634	0.3
153.01915	0.5
153.05603	0.6
155.03343	0.4
155.10771	0.6
160.03838	0.5
161.02460	0.7
161.04543	1.6
163.11301	3.3
163.12486	0.5
165.09259	0.5
165.12892	2.2
171.10260	2.3
172.80602	0.4
173.04550	1.5
177.01942	1.0
179.03490	0.9
181.12350	0.7
185.11896	0.7
187.07542	0.4
191.05638	0.7
191.10828	0.9
193.04944	0.5
201.11328	22.3
202.11583	1.0
205.44557	0.4
209.11818	100.0
210.12164	6.6
211.13307	0.7
215.12923	0.5
225.11340	0.7
227.12907	15.6
227.15155	0.8
228.13252	1.1
230.80853	0.5
235.08209	2.2
247.13383	0.4
253.04758	0.5
253.09297	8.9
258.29172	0.4
363.00500	0.4
374.41925	0.4
375.21576	0.5
385.22278	1.1
401.11850	0.4
437.20105	1.1
445.20786	3.3
518.31458	0.5
529.30444	0.5
611.30927	0.6
628.33734	2.6
629.32971	0.4
637.32404	1.0
647.34210	0.9
648.22015	0.6
655.33252	1.4
656.32996	0.4
691.32172	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	691.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	6.9
70.64484	0.7
71.38406	1.3
78.95902	37.6
80.02658	2.1
81.03428	1.8
83.05035	7.1
84.02151	1.2
86.39371	0.9
96.96953	2.4
100.85824	0.7
135.08167	1.0
152.99580	57.5
163.11296	6.8
164.11601	0.9
165.12811	4.0
171.00644	7.3
191.10793	1.4
209.11815	100.0
210.12201	6.1
227.03198	4.5
227.12881	11.2
245.04323	1.3
253.21710	17.4
254.22144	1.8
277.21588	2.2
363.12155	6.0
413.20810	1.0
437.15921	6.0
438.16611	0.8
439.48154	0.9
455.16837	82.0
456.17273	7.7
511.04199	0.8
662.88550	0.9
691.38208	84.2
692.38593	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	693.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13082	1.7
59.01375	16.8
61.98820	18.1
69.20987	1.9
69.21295	17.6
72.35793	1.9
78.95901	100.0
83.36927	1.8
96.96952	3.3
99.00903	2.4
99.92576	15.2
102.03573	2.2
115.92065	24.9
116.92095	3.2
116.92859	31.7
150.97993	2.8
152.99571	16.0
163.89745	2.8
178.88417	9.3
179.89209	30.1
180.90002	28.1
181.02911	2.4
194.87845	3.8
196.89467	33.5
205.90729	2.8
221.90253	3.7
235.91797	7.0
236.92595	3.7
277.21704	7.7
324.94144	16.8
340.93649	2.4
343.22760	3.3
497.14154	14.8
498.14047	3.6
514.14282	7.6
657.17853	12.9
658.18359	2.3
675.18646	8.9
689.16272	3.3
693.19830	54.9
694.19916	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85447	1.8
59.01373	19.7
60.31269	1.9
60.38996	2.1
61.98836	2.7
69.04253	1.8
70.68324	1.9
71.01379	6.0
71.51921	2.1
74.97378	2.3
83.01395	1.8
85.02952	6.4
88.32881	1.6
89.02455	2.5
93.03452	16.7
96.95992	11.8
97.72704	2.3
101.02438	6.1
111.00932	2.1
111.04534	5.3
113.02456	3.0
119.04980	2.3
122.06126	7.3
126.67518	1.9
127.95851	1.9
134.06122	3.8
135.04562	4.4
136.07645	2.2
137.02440	3.3
137.17108	2.1
140.07198	5.8
149.04857	3.2
158.90062	1.8
160.01662	4.2
161.04768	4.6
162.05550	4.2
164.07213	2.2
173.04552	51.1
174.05557	2.6
175.03975	5.3
177.01973	2.9
179.03474	2.4
190.05005	2.8
191.05600	48.4
193.05042	2.5
195.08185	2.0
197.09673	9.9
204.06691	4.6
209.11810	26.7
212.05923	7.9
213.12714	2.6
227.12784	5.9
228.12750	2.1
237.10254	7.9
239.08226	8.2
239.10658	4.4
240.08719	2.8
243.11244	3.0
251.11829	2.3
252.10278	1.9
252.12708	5.8
253.06158	7.6
253.09772	8.6
253.13354	3.2
255.11301	5.9
265.06348	2.0
266.06976	4.4
267.07751	11.8
267.11325	4.8
268.08456	7.7
268.12042	5.7
273.12347	6.2
277.89053	2.2
279.07806	2.7
279.11182	2.2
280.08475	11.5
281.09280	25.4
282.10294	2.3
283.06808	2.3
283.09909	4.2
285.08844	4.8
295.10913	27.6
296.11612	23.3
297.12411	10.4
299.10330	7.6
300.11047	2.8
301.11111	7.2
303.13440	5.7
313.12054	3.2
327.13480	7.0
339.09805	2.3
340.10522	5.9
341.11368	3.0
345.09790	2.9
345.83832	2.6
351.12195	2.3
371.12451	4.9
372.13062	4.8
373.14117	9.2
390.14557	2.6
397.13467	30.7
404.16193	2.2
415.14423	12.0
438.16562	3.0
466.15701	3.3
501.14203	17.4
511.19672	17.2
512.20093	4.6
519.15027	24.0
520.15247	2.2
586.53760	1.9
607.25867	12.7
608.26642	2.9
625.27582	3.1
633.25641	24.7
634.25696	4.6
643.23956	12.2
661.25092	3.3
675.26642	100.0
676.27100	17.5
693.28516	58.1
694.29303	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	693.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95644	1.3
56.96739	1.3
59.01377	1.7
70.52313	3.0
70.52689	2.6
78.42241	1.2
82.02934	1.7
86.50971	1.2
92.05019	1.1
93.03477	1.9
96.96006	2.2
106.06575	2.2
108.04553	3.9
110.06062	2.2
114.69769	1.1
121.05315	1.5
122.06111	12.9
134.06117	16.2
135.04526	1.4
135.06860	3.8
136.04030	1.7
136.07645	5.9
138.05602	1.6
140.07175	23.6
144.04533	1.6
146.05983	1.5
149.04797	7.0
150.05586	4.6
152.07173	3.4
159.10020	1.2
160.04048	2.2
161.02414	1.7
161.04784	3.8
162.05608	15.1
164.03477	6.4
164.07150	14.9
166.05075	5.6
167.05844	3.7
172.03909	3.2
173.04637	1.6
174.05499	2.5
204.06622	5.3
211.08687	3.4
212.05884	7.2
215.11877	1.9
224.09340	2.4
225.06613	3.3
225.10327	1.8
226.07385	2.0
227.08237	2.1
227.11679	1.7
228.12537	1.6
237.10312	5.6
238.07320	2.4
239.08237	8.2
239.11682	1.9
240.08870	3.3
241.09789	2.7
243.11330	5.9
251.08186	4.9
251.11786	2.9
252.08549	2.1
252.10539	2.2
252.12669	3.5
253.06201	16.0
253.09819	18.2
254.06561	1.5
255.11230	7.1
257.09418	1.5
261.12454	7.1
265.06146	4.0
266.06979	9.6
267.07773	17.0
267.11124	10.3
268.08380	10.6
268.12012	7.6
269.12869	2.6
271.10736	2.5
273.12448	11.7
279.07709	7.9
279.11139	2.8
280.08484	29.0
281.09250	32.0
282.09717	4.3
284.12830	2.1
285.08713	4.0
285.12305	3.0
295.10846	100.0
296.11545	33.0
297.12344	21.4
299.10306	3.4
300.11142	1.4
301.11926	7.6
303.13449	44.6
303.97534	1.4
304.13739	4.4
311.10364	2.3
313.12003	3.0
321.14343	4.2
327.13467	25.3
328.10510	4.3
328.13910	2.0
339.09824	23.9
340.10416	7.3
341.11438	9.0
369.27069	1.4
371.12460	30.6
372.12720	4.1
373.13892	5.2
390.14557	2.7
404.15945	4.1
406.14169	3.1
407.14597	2.4
420.15512	5.4
435.17551	1.8
448.14688	1.6
466.16293	2.4
511.19290	5.6
557.24072	5.6
566.20642	1.5
581.23956	1.5
599.25153	16.0
600.25128	3.9
601.22949	32.7
602.23309	5.0
617.25964	8.3
625.22449	2.0
633.25525	20.3
634.25592	3.1
643.24017	75.7
644.24359	13.6
657.26849	1.4
661.25098	67.0
662.25293	11.4
671.57709	1.6
675.26678	38.0
676.27441	9.5
693.16296	1.8
693.27722	21.7
694.28101	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	693.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	16.1
58.00560	0.5
58.03733	0.3
59.01381	4.9
61.98809	0.6
69.38633	2.1
71.01379	2.2
71.05011	0.3
72.31225	0.3
73.02933	1.1
78.22272	0.3
81.03445	0.4
83.01360	0.4
83.05006	1.0
85.02940	1.0
87.04489	0.3
95.04996	0.7
96.95981	1.3
97.02955	0.4
97.06573	1.4
98.19946	0.6
99.04520	8.5
101.02445	5.1
101.46509	0.3
109.06576	0.4
113.02417	0.8
119.05019	0.7
119.08627	0.9
123.04497	1.0
123.08141	1.2
125.02444	6.9
125.09718	0.6
125.91305	0.3
126.02728	0.4
135.04492	1.3
137.09686	0.9
139.07623	0.4
139.11299	2.3
143.03484	1.0
149.09668	0.4
151.11197	0.5
153.09258	0.5
155.10728	0.8
157.12395	0.4
161.02451	0.8
161.04561	2.0
163.04037	0.6
167.10834	0.4
169.12274	0.4
179.03407	1.1
179.05363	0.3
185.10249	0.5
185.11806	7.7
186.12160	0.6
203.05600	0.7
213.11285	1.5
214.12108	1.6
215.12846	1.3
241.14508	0.7
243.08673	0.3
243.15991	2.9
255.15984	0.6
265.18005	0.5
267.11288	0.4
269.13159	0.4
289.17987	0.4
291.19583	0.9
303.19611	0.5
305.08774	8.5
309.20679	1.1
321.20663	0.9
327.21732	8.0
328.22055	0.9
333.20688	0.4
339.21799	2.0
341.23285	0.4
343.21158	1.7
351.21619	0.6
357.22797	1.1
369.22800	7.0
370.22971	0.7
387.23865	100.0
388.24219	11.1
405.24948	2.3
429.25037	1.9
447.25629	1.6
471.25418	0.4
549.29156	0.7
610.34155	0.3
693.33502	14.8
694.33551	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	695.1461
Annotation	Quercetin 3-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
59.01356	0.7
59.13624	0.6
71.24883	1.2
72.30416	0.5
101.10355	0.5
108.02164	1.6
119.04881	0.6
135.00868	0.7
148.01653	1.7
151.00380	4.1
159.21492	0.6
163.00291	0.7
164.01143	1.2
173.48868	0.7
178.99812	2.5
199.03987	1.5
215.03583	1.0
226.02719	1.3
227.03455	2.8
229.78955	0.6
243.02989	10.8
254.02122	1.5
255.02974	24.1
256.03262	2.0
271.02463	55.1
272.02985	5.6
299.01923	2.1
300.02722	100.0
301.03165	11.2
341.16449	0.8
519.48590	0.7
609.14490	1.2
651.15619	68.2
652.16040	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	695.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59842	1.0
57.03448	1.3
59.01370	2.9
61.98838	2.6
68.99812	5.2
71.01369	2.5
71.21693	1.9
71.22043	1.7
72.68319	1.2
72.99310	1.2
77.31356	1.1
85.02936	1.7
93.03474	3.6
96.96008	8.1
113.46848	1.1
116.92867	3.1
119.05058	3.1
121.02959	2.2
123.00887	4.7
123.03245	1.3
123.04434	1.3
125.02440	2.4
129.01926	2.5
134.03798	1.4
135.04523	5.4
137.02419	3.1
138.03229	9.0
139.04013	2.1
149.02420	11.6
152.01144	4.6
153.01958	2.3
153.05574	11.5
161.02394	1.8
161.61272	1.2
162.03160	1.5
163.03984	6.8
164.04765	10.8
165.01891	3.2
168.04205	1.9
169.05019	2.9
172.98793	1.3
173.04547	7.0
175.00354	4.3
176.01137	2.6
177.01912	2.9
177.05566	2.3
178.02687	1.8
179.03529	2.4
179.07100	3.9
181.05066	6.5
190.02647	2.6
191.03546	2.4
191.05595	6.1
192.04216	4.4
193.01413	18.2
193.04976	1.7
194.01936	2.0
205.05022	1.9
207.06644	3.9
208.03767	43.6
209.04254	3.2
223.06105	100.0
224.06360	5.7
227.03442	1.6
241.08701	2.0
255.03041	1.6
277.04782	1.3
285.03928	3.9
343.07700	1.3
357.09644	2.3
358.10751	2.0
373.12872	4.2
403.13751	9.4
417.11526	1.8
442.97571	1.3
447.12924	54.9
448.13196	7.5
589.99146	1.3
651.15497	1.9
695.35547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15290	0.3
55.23645	0.4
59.01378	100.0
60.01732	0.7
61.86789	0.3
61.98835	1.9
69.69099	1.8
77.99951	0.3
78.95904	15.6
80.96525	0.5
96.01874	0.4
96.96970	0.5
98.19989	0.5
152.99605	4.7
165.26222	0.4
176.67236	0.3
205.15984	0.9
262.41125	0.4
277.21494	0.3
279.23294	9.2
280.23538	0.6
285.12665	0.4
290.75391	0.4
415.22571	3.7
418.03909	0.4
433.23569	1.1
522.95221	0.5
613.07111	0.4
695.31116	40.2
695.45477	1.4
696.31464	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	695.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	17.1
58.00589	0.5
58.03755	0.4
59.01378	5.8
61.98811	0.9
69.21236	2.7
69.21636	0.9
71.01382	2.6
72.99352	0.4
73.02935	1.5
81.03442	0.6
83.01393	0.4
83.05019	0.4
89.02426	1.1
96.96014	0.8
97.06552	0.6
98.19910	0.7
99.04515	7.1
100.62876	0.4
101.02438	5.7
113.02421	1.2
119.03475	0.4
119.08652	1.6
123.04512	0.8
123.08144	0.5
123.14524	0.4
125.02423	5.3
125.09694	0.6
135.04492	1.1
135.08084	0.8
135.26135	0.4
137.02380	0.4
137.09720	2.1
138.71092	0.4
139.11269	1.7
141.12851	1.0
143.03523	0.7
157.12302	1.1
161.02507	0.7
161.04530	2.8
166.73389	0.4
169.12305	1.6
173.04614	0.4
179.05605	0.5
185.11816	3.1
191.05493	0.4
199.13239	0.5
203.05583	0.6
209.11743	1.9
214.11943	0.5
215.12851	11.0
216.13213	0.9
227.12840	1.5
229.14508	1.1
271.10538	0.5
305.08734	8.6
306.09070	0.6
311.22192	0.8
321.46906	0.4
327.21695	1.5
329.23300	9.6
330.23636	0.9
341.10864	1.5
341.23257	4.6
342.23718	0.5
343.24692	0.5
345.22882	2.1
353.23404	0.6
359.24503	1.5
371.24335	11.2
372.24460	0.9
387.23999	0.5
389.25409	100.0
390.25745	9.6
400.77545	0.4
403.27017	0.8
407.26563	1.8
431.26471	2.1
432.27090	0.4
449.27338	1.2
473.27808	0.5
533.29596	0.5
551.30286	0.6
695.34943	18.1
696.34998	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	697.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68815	0.6
53.26066	0.5
56.60920	0.5
58.90133	0.6
59.01380	100.0
59.25710	0.6
60.01725	1.4
60.41788	0.6
61.98842	2.9
71.01382	0.5
71.52661	0.7
72.99321	1.6
78.95908	1.5
83.33192	0.5
116.92852	0.9
121.02989	3.0
133.03040	0.7
135.04570	1.6
137.02454	0.9
145.61504	0.5
152.99602	1.2
161.02464	1.9
163.35902	0.5
165.01978	0.7
165.70331	0.6
168.68335	0.5
171.10323	1.1
179.03625	0.9
181.05093	0.7
191.03606	0.8
193.83366	0.5
209.04633	1.8
214.34756	0.6
279.23386	1.2
304.51190	0.6
309.20837	0.7
462.53452	0.5
535.25793	2.1
593.13220	1.5
595.38354	0.8
723.65356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
68.58022	0.3
69.43624	2.7
93.03472	1.8
96.95971	0.7
101.02493	0.5
102.10150	0.4
109.02939	0.5
121.02959	5.0
123.04529	0.4
126.65060	0.4
134.03726	0.6
135.04520	4.5
136.01572	0.5
136.51241	0.3
137.02435	5.7
147.04483	0.5
149.02434	24.2
150.02901	0.4
151.00337	0.6
151.04018	1.3
152.01146	5.7
161.02400	1.2
163.04019	6.1
164.04785	15.5
165.01926	41.0
165.05029	1.2
166.02359	1.7
167.03520	1.3
169.05029	2.8
173.04457	0.7
177.05656	0.6
179.03499	6.4
179.07115	5.4
180.04279	21.5
181.04846	1.3
187.76442	0.3
191.03453	0.4
191.05614	0.7
193.01410	16.3
194.01811	0.7
194.05832	0.7
195.02884	1.2
195.06612	30.4
196.06952	1.7
204.08313	0.5
204.10139	0.5
208.03757	33.4
209.04111	1.8
210.05333	5.9
211.06056	1.3
223.06108	100.0
224.06454	5.6
224.53174	0.4
225.07671	37.4
226.07962	1.4
244.30222	0.4
245.09389	0.6
248.19351	0.4
265.07135	1.3
267.38638	0.4
271.02774	0.5
272.02856	0.4
287.05472	0.4
290.70502	0.4
295.06427	0.4
300.02670	0.4
309.07816	0.4
327.08728	0.4
342.11099	0.7
401.12308	5.3
402.12820	0.9
449.14532	24.4
450.14868	2.5
527.81982	0.4
533.37012	0.4
603.10168	0.4
653.18921	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.8
61.26873	0.7
62.95950	0.8
64.25359	0.7
64.87457	0.8
67.43532	0.7
69.75399	4.5
71.01369	1.5
93.03448	3.1
96.96010	1.7
109.02921	2.1
111.00882	1.0
116.92850	1.7
121.02946	8.4
123.00840	1.0
123.04530	1.6
124.01667	1.3
129.01926	1.8
134.03775	1.3
135.04546	4.7
137.02438	7.0
138.03220	4.3
139.03976	1.8
149.02429	45.8
150.03079	1.7
151.00374	0.9
151.03976	2.4
152.01140	7.1
161.02396	0.9
163.04022	8.9
164.04791	34.0
165.01918	51.2
165.04955	1.7
166.02701	19.4
167.03381	2.3
169.05003	2.5
177.05602	1.0
179.03490	9.7
179.07082	10.0
180.04282	28.4
181.05049	30.0
182.05309	1.5
190.02679	1.5
193.01404	21.7
194.05855	2.3
195.02980	1.9
195.06610	37.1
196.06941	1.7
201.11310	6.5
205.05025	1.5
206.05818	2.4
207.02963	2.6
208.03751	50.9
209.04103	1.9
209.11771	6.1
210.05299	7.4
211.06097	35.2
212.06433	1.4
221.08195	1.6
222.05357	3.1
223.06096	100.0
224.06485	5.2
225.07642	19.5
226.08087	0.9
227.12872	2.7
237.07684	3.1
245.13765	4.1
253.05136	1.1
263.92978	0.7
265.07117	10.8
289.93671	0.7
295.05817	0.8
310.04608	0.9
311.05334	1.1
327.08643	2.7
342.11139	2.0
347.09207	1.7
357.13513	1.4
401.12259	4.4
404.08942	1.2
433.15146	1.1
449.14508	75.2
450.14987	8.7
451.12210	2.1
478.67090	0.8
491.15591	2.9
611.20679	0.9
653.21893	11.7
654.21594	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	697.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	2.8
61.26873	0.7
62.95950	0.8
64.25359	0.7
64.87457	0.8
67.43532	0.7
69.75399	4.5
71.01369	1.5
93.03448	3.1
96.96010	1.7
109.02921	2.1
111.00882	1.0
116.92850	1.7
121.02946	8.4
123.00840	1.0
123.04530	1.6
124.01667	1.3
129.01926	1.8
134.03775	1.3
135.04546	4.7
137.02438	7.0
138.03220	4.3
139.03976	1.8
149.02429	45.8
150.03079	1.7
151.00374	0.9
151.03976	2.4
152.01140	7.1
161.02396	0.9
163.04022	8.9
164.04791	34.0
165.01918	51.2
165.04955	1.7
166.02701	19.4
167.03381	2.3
169.05003	2.5
177.05602	1.0
179.03490	9.7
179.07082	10.0
180.04282	28.4
181.05049	30.0
182.05309	1.5
190.02679	1.5
193.01404	21.7
194.05855	2.3
195.02980	1.9
195.06610	37.1
196.06941	1.7
201.11310	6.5
205.05025	1.5
206.05818	2.4
207.02963	2.6
208.03751	50.9
209.04103	1.9
209.11771	6.1
210.05299	7.4
211.06097	35.2
212.06433	1.4
221.08195	1.6
222.05357	3.1
223.06096	100.0
224.06485	5.2
225.07642	19.5
226.08087	0.9
227.12872	2.7
237.07684	3.1
245.13765	4.1
253.05136	1.1
263.92978	0.7
265.07117	10.8
289.93671	0.7
295.05817	0.8
310.04608	0.9
311.05334	1.1
327.08643	2.7
342.11139	2.0
347.09207	1.7
357.13513	1.4
401.12259	4.4
404.08942	1.2
433.15146	1.1
449.14508	75.2
450.14987	8.7
451.12210	2.1
478.67090	0.8
491.15591	2.9
611.20679	0.9
653.21893	11.7
654.21594	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	697.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.2
58.00596	0.7
59.01376	7.2
61.98821	1.4
69.03395	0.3
70.80495	0.4
71.01379	6.5
71.05038	0.4
72.99300	0.8
73.02954	1.2
73.85103	0.2
78.36501	0.3
81.03475	0.3
83.01385	0.4
85.02953	0.9
87.00877	1.2
87.04527	0.6
88.98805	1.7
88.99284	0.3
89.02441	7.9
90.02752	0.3
91.95399	0.2
95.01414	0.4
96.96000	0.8
97.06606	1.2
99.00812	0.3
99.04533	0.9
101.02434	4.3
109.02963	0.7
111.00943	0.3
113.02448	2.5
119.03481	2.2
119.05020	0.5
121.10236	1.0
123.04497	0.4
123.08151	1.5
125.02439	1.0
125.09700	0.5
131.03517	0.5
133.02943	0.3
135.04530	0.4
137.09702	0.4
139.11269	1.3
140.26846	0.3
141.09232	0.6
141.12881	0.8
143.03500	0.8
149.04527	0.4
152.01033	0.4
155.10828	0.4
157.12315	1.0
161.02469	0.6
161.04539	1.7
169.12296	1.4
171.13968	0.4
173.04536	0.4
179.03484	0.5
179.03767	0.5
179.05608	6.6
181.12352	0.3
185.11827	5.7
191.05521	0.4
199.13518	0.4
213.11394	0.6
214.12163	0.8
215.12849	5.6
216.13177	0.4
228.13660	0.4
229.14452	2.0
246.10083	0.3
267.19620	0.3
284.68033	0.3
305.08572	0.7
307.22815	0.3
313.23822	0.7
325.23822	1.0
327.21561	0.4
337.23712	0.5
341.10861	35.4
341.23547	0.7
342.11197	3.2
343.11429	0.9
343.24854	3.8
344.25241	0.3
355.24881	10.0
355.29285	0.6
356.25183	1.0
371.24402	2.3
372.24698	2.1
373.25906	100.0
374.21478	0.6
374.26270	11.2
387.27609	2.5
388.27954	0.5
390.26126	0.4
391.26956	8.7
392.27576	0.8
415.27115	2.1
475.29230	0.5
517.29852	0.3
527.07495	0.3
535.31305	0.5
547.15039	0.3
656.08740	0.3
697.36407	13.9
698.36914	2.6
710.06146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.4
58.00598	1.0
59.01372	0.5
67.41225	0.2
69.43116	1.0
69.43533	0.4
71.01382	0.3
73.02953	0.4
80.02672	0.6
80.40520	0.2
81.03467	0.8
83.05017	4.1
84.02171	0.8
90.13957	0.2
91.12036	0.2
94.52371	0.2
95.05025	0.2
125.06091	0.4
125.09727	3.1
127.11288	5.3
135.04517	0.5
135.08109	0.3
137.09709	0.9
139.11285	0.8
149.02440	0.9
153.09222	0.3
155.10777	2.3
155.45700	0.2
157.12286	0.5
161.02448	0.3
163.11285	2.7
164.04791	0.5
164.11586	0.2
165.01884	0.9
165.09198	2.0
165.12820	2.1
166.02628	0.2
171.10274	1.9
180.04292	0.4
181.05000	0.5
181.12331	0.4
183.10236	1.1
191.10760	1.0
193.01382	0.2
195.06677	0.6
199.09752	1.8
201.11310	100.0
202.11659	4.9
208.03801	1.1
209.11812	68.9
210.10316	0.4
210.12160	3.9
210.13995	0.4
211.06166	0.5
223.06081	2.1
225.07693	0.6
227.12869	31.6
228.13187	1.9
245.13916	51.2
246.14282	3.6
277.67432	0.2
449.14352	1.1
450.14520	0.3
451.32855	3.3
452.33423	0.6
489.01230	0.2
506.01535	0.2
579.77069	0.2
700.99268	0.2
727.97650	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81276	0.2
59.01388	0.3
61.78507	0.2
61.98828	100.0
69.69285	0.6
69.69670	0.6
78.95913	0.3
98.19887	0.3
130.74672	0.2
181.83331	0.3
232.54927	0.3
343.99506	0.3
514.83899	0.3
527.80835	0.3
698.31671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74621	2.5
54.41376	3.0
57.03440	4.5
59.01378	31.1
61.98832	14.8
71.01389	17.2
71.52383	3.8
72.99314	5.1
73.02939	6.0
78.95875	4.0
80.28268	2.6
83.05039	6.1
85.02939	5.7
86.53312	3.0
87.00877	6.6
89.02473	7.0
93.07693	2.8
96.96042	5.0
101.02467	12.9
109.02978	3.9
111.08178	5.3
113.02445	5.0
119.05013	6.1
125.09721	6.4
133.03024	3.4
135.04520	13.2
138.01985	5.7
161.02429	9.8
163.04034	5.8
171.10275	67.9
172.10722	3.4
173.04597	4.6
179.03510	10.3
181.04985	3.6
193.35391	2.7
209.11821	7.8
211.13330	6.5
221.15570	3.8
233.15448	11.9
249.15001	21.6
253.09352	5.7
341.25186	4.6
367.22839	4.7
385.23889	10.6
391.06461	3.3
398.70163	3.1
403.24887	25.7
407.19394	5.1
421.25952	6.1
611.33868	3.9
621.32819	67.2
622.33380	9.7
639.33795	100.0
640.34033	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	699.381
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	2.1
57.96909	0.3
58.00589	0.8
59.01111	0.4
59.01379	5.6
61.98845	0.6
62.53305	0.3
69.03468	0.6
69.85203	1.0
71.01028	0.3
71.01389	5.0
72.99304	0.7
73.02933	0.9
75.27813	0.3
83.01405	0.4
83.69798	0.3
85.02953	0.9
87.00891	1.3
87.04509	1.6
87.60345	0.3
89.02447	5.7
93.03456	0.4
95.01365	0.3
96.96024	0.4
97.06580	0.5
101.02447	3.1
109.02966	0.6
109.06644	0.3
113.02440	2.3
113.09782	0.3
119.03517	1.5
123.04464	0.3
123.08154	1.4
131.03514	0.2
133.02930	0.5
135.04507	0.8
135.08170	0.6
139.11281	0.8
141.09161	0.6
141.10178	0.3
141.12836	0.6
143.03487	0.6
152.01134	0.5
153.09200	1.1
157.12308	1.0
161.02438	0.9
161.04539	0.7
167.03430	0.5
169.12300	0.8
171.13927	0.7
173.04504	0.4
179.03470	0.6
179.05611	3.5
181.12265	0.3
182.63367	0.3
185.11807	2.4
187.13445	0.4
191.05643	0.4
199.13383	0.4
214.12083	0.5
215.12920	1.0
243.03081	0.4
265.04993	0.3
267.06488	0.3
287.22220	0.3
293.21014	0.3
311.05527	0.5
311.22275	0.5
327.21985	0.3
327.25369	0.6
329.23270	2.8
330.23587	0.4
339.25308	0.8
341.10867	29.8
342.11234	2.1
343.24646	0.3
355.04587	0.4
357.26428	9.6
358.26688	0.9
373.25925	2.5
374.26212	1.3
375.27490	100.0
376.27802	9.9
387.27448	0.6
389.29083	5.0
390.29285	0.5
417.28583	3.5
418.28854	0.4
477.30591	0.3
537.32990	0.5
608.07745	0.3
665.71576	0.4
699.38135	15.4
700.38544	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	701.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98815	6.3
63.03471	1.4
68.99546	1.6
69.86396	4.0
69.86794	3.3
70.47816	1.6
78.95890	2.6
80.81523	1.4
99.26300	1.4
112.32282	1.5
112.98515	1.9
116.35422	1.3
121.08699	1.3
140.67908	1.4
144.15799	1.3
152.99612	2.2
179.03535	2.2
185.72183	1.6
190.75717	1.6
392.64020	1.4
438.13525	2.2
446.30774	1.5
452.14636	2.2
470.11627	1.4
481.15186	27.2
482.15604	5.8
495.16727	10.4
496.16858	3.6
497.18149	4.8
499.14972	1.6
502.00500	1.4
514.14648	1.8
523.16034	2.1
540.16595	6.1
541.16644	3.3
554.18079	1.9
555.18823	51.5
556.19098	11.2
572.15448	14.9
573.15637	3.0
586.17352	4.2
627.20416	2.1
641.22607	25.7
642.22968	6.3
701.24664	73.6
702.24695	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22373	0.7
57.03431	2.1
59.01376	12.7
61.98835	4.8
61.99093	0.8
63.39020	0.8
71.01385	5.2
71.52053	1.5
72.26814	0.8
72.99319	1.8
80.02689	2.3
81.03458	3.7
83.01402	1.7
83.05023	7.8
84.02161	1.6
85.02953	2.4
85.08751	1.0
87.00845	2.0
89.02451	3.5
95.05017	1.7
96.95987	1.0
97.02959	4.6
99.00875	1.5
101.02443	7.5
109.06590	23.6
113.02457	3.2
121.06558	1.5
125.02502	1.1
125.09682	2.1
135.04488	2.5
135.08145	2.9
136.05258	1.2
142.02727	1.6
145.05055	1.2
161.02420	1.8
161.04514	2.4
161.09674	1.9
163.11272	14.8
164.11546	1.2
165.12851	3.3
171.10292	2.4
173.04526	1.3
181.12318	3.8
185.11830	1.6
187.07576	0.9
187.09471	0.9
189.09241	1.9
191.10718	1.0
197.11838	3.1
207.10252	57.0
208.10619	2.8
209.11818	100.0
210.12155	5.6
225.11314	26.8
226.11577	1.5
227.12874	13.3
235.08142	2.4
249.11282	1.0
253.09300	9.1
265.14575	2.0
299.14929	1.5
303.15207	0.8
333.20715	1.1
334.20880	1.1
399.21942	4.3
417.22617	5.1
443.19232	3.2
445.20389	1.4
461.15112	1.0
461.20346	9.9
462.20270	1.4
586.94525	0.9
635.30719	15.0
636.30841	1.3
653.31659	15.3
654.32111	2.3
671.32819	24.6
672.32916	3.9
703.35083	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	100.0
69.92519	48.3
69.92928	85.4
78.02644	24.5
78.95895	45.9
90.72712	27.9
91.33268	29.2
97.79445	25.8
98.20580	31.7
152.99561	47.9
155.84462	31.1
162.51712	29.2
188.22626	25.7
209.11760	55.7
255.23215	94.6
256.23517	50.9
261.04831	26.6
277.21698	34.9
439.66800	27.0
551.96436	25.5
703.38757	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83804	13.3
59.70849	12.7
61.98828	100.0
64.78531	11.1
71.41991	14.4
78.95899	35.2
105.44460	13.2
127.12855	15.4
141.80876	11.9
152.99571	36.1
171.10208	18.1
209.11819	40.7
217.99260	13.3
241.14346	41.2
255.23148	70.9
256.23520	21.8
277.21674	26.2
422.63242	13.2
703.39337	15.0
704.44794	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	703.4789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01719	1.1
61.98828	2.2
69.68631	2.2
91.04001	2.8
97.10953	0.5
98.20280	1.7
116.44530	0.5
172.39159	0.5
184.82300	0.6
195.13943	1.3
212.19739	0.5
223.13487	0.6
275.20139	0.9
293.21216	28.9
294.21503	3.1
569.42322	1.7
570.42566	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
61.98828	1.0
61.99087	0.1
63.62674	0.2
70.02048	0.6
71.01378	1.0
72.99312	0.3
73.02953	0.6
79.67066	0.2
82.95438	0.3
83.01385	0.3
83.05026	0.2
85.02960	0.3
87.00875	0.6
89.02467	0.3
89.03971	0.5
93.03466	0.2
96.96020	0.5
99.92578	0.3
101.02432	1.2
109.02961	0.3
113.02457	0.5
116.92921	0.3
117.03469	31.2
118.03830	0.9
119.03489	0.2
119.05014	1.8
121.02944	0.2
123.00903	0.2
123.04497	0.3
125.02421	0.2
132.02182	0.9
133.02960	0.3
134.03741	7.1
135.04477	0.7
137.02441	0.5
145.02954	100.0
146.03297	4.2
149.06064	1.2
160.01662	5.7
161.02452	1.0
161.04594	0.4
163.04005	1.9
169.12286	1.1
171.10260	0.5
173.04552	0.4
175.03999	7.6
177.01900	0.4
178.02750	0.7
179.03481	0.7
185.36703	0.2
193.05046	6.0
194.05380	0.3
197.11848	1.0
199.13390	0.2
201.11278	1.2
207.10217	0.3
209.11758	1.3
217.05045	0.3
223.09831	0.2
225.11357	0.6
265.07196	0.5
271.02277	0.2
289.07352	0.2
299.01880	0.6
300.02560	0.2
307.08307	0.3
317.06442	0.3
319.07700	0.2
337.09351	0.6
375.27405	0.2
483.12878	0.9
498.28342	0.2
499.14594	0.4
529.15851	0.4
541.15527	2.3
542.15656	0.3
559.16675	8.6
560.16949	1.2
601.92279	0.2
608.13721	0.3
661.31012	0.4
687.32300	0.5
705.20404	9.1
705.33478	2.1
706.20874	1.6
706.32758	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31866	1.5
57.03439	2.3
59.01378	16.0
59.69102	1.4
61.98822	10.8
63.91941	1.9
69.03438	7.1
69.28210	12.6
71.01374	12.3
71.04980	3.6
72.99303	3.1
73.02919	1.8
75.86986	1.5
78.26807	1.5
81.03448	4.1
83.01357	1.6
83.05016	4.9
84.02140	1.7
84.95102	3.2
85.02944	4.1
87.00864	5.8
89.02428	6.6
92.45840	1.7
96.96008	8.7
99.00848	4.9
99.92568	2.2
101.02458	8.3
106.06641	1.7
109.02937	5.2
113.02448	4.4
116.92867	4.9
117.03436	1.8
119.04937	1.9
123.04523	2.6
123.08105	3.3
125.02469	2.2
125.06142	1.6
125.09719	9.7
127.11317	3.3
133.02997	2.9
135.04536	5.4
135.08095	1.3
137.09711	1.6
145.03059	1.8
149.02490	1.5
151.00383	3.4
151.11261	2.7
153.01898	6.4
161.02409	6.1
161.04547	2.8
161.09692	5.6
163.11282	4.3
171.10265	6.8
173.04474	3.0
174.06221	1.7
178.99867	2.6
179.03401	2.4
179.10767	14.6
181.04921	1.9
181.12314	5.3
197.11815	100.0
198.12109	6.4
199.09706	3.1
199.13348	3.2
201.11322	44.1
202.11777	2.0
207.10252	5.8
209.11812	65.0
209.13820	3.2
210.12100	2.3
215.07127	2.2
223.09744	2.4
225.11354	9.5
227.12794	5.7
241.10785	7.0
243.12405	5.9
253.09286	7.2
285.04062	3.8
332.31708	2.2
477.19904	2.7
559.14709	3.5
629.22717	5.6
630.22986	2.0
661.30914	22.3
662.30994	2.5
669.31042	2.2
687.32257	78.5
688.32532	14.3
705.33362	85.9
706.33691	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14204	1.1
61.98815	3.7
69.03431	2.3
69.50661	7.7
71.04997	2.5
78.95900	89.5
80.47356	1.3
85.98872	1.1
96.96964	7.0
120.86394	1.2
126.15344	1.2
126.43057	1.2
133.73888	1.1
152.99582	88.9
153.12766	2.1
171.00650	10.4
173.52498	1.3
179.10753	4.4
181.04587	1.1
197.11819	62.8
198.12105	4.1
223.09654	2.2
227.03183	3.7
241.10793	35.5
251.57121	1.2
300.67621	1.4
377.09933	5.4
451.13727	13.0
469.14719	30.1
470.14865	2.7
474.16428	1.2
705.36090	100.0
706.36407	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	705.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32198	0.3
54.82776	0.3
59.01379	3.3
61.98827	1.6
69.62185	1.7
71.01383	3.8
72.99307	0.5
73.02943	0.8
80.02682	0.6
81.03448	1.2
83.01355	0.6
83.05019	4.1
84.02168	0.6
85.02966	0.8
87.00871	0.8
89.02445	1.5
95.04984	0.4
96.96006	1.5
98.20669	0.4
98.95610	0.5
99.00875	0.4
99.04526	0.6
99.92583	0.5
100.61719	0.3
101.02422	2.8
105.01900	0.4
109.06585	0.8
113.02463	0.9
115.92090	1.6
116.92870	2.0
117.92840	0.3
119.03485	0.6
121.08302	0.3
123.04485	0.8
123.08177	0.7
125.02417	0.3
125.06079	0.5
130.43242	0.3
134.03751	0.6
135.04524	0.9
135.08105	0.9
137.02406	0.4
149.06065	0.3
159.10249	0.5
161.02490	0.6
161.04581	0.7
163.04004	0.4
163.11270	3.5
165.12857	2.4
167.07104	0.4
171.10291	1.4
178.02690	0.3
179.03455	0.5
179.05530	0.3
181.12289	0.8
191.10800	0.8
193.05046	1.0
197.11862	0.9
201.11360	0.6
207.10255	0.8
208.10641	0.3
209.11812	100.0
210.12167	6.0
223.09831	0.5
225.11325	1.1
226.11646	0.3
227.12872	14.0
228.13153	0.8
235.08183	2.3
241.59160	0.3
253.09241	5.5
299.02029	0.6
311.05981	0.4
390.97180	0.3
445.20639	1.3
463.21500	0.4
463.34109	0.4
539.22894	0.7
637.32465	0.5
655.33276	0.4
661.33002	0.5
669.30206	0.9
687.31915	1.2
706.34155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92539	0.1
59.01383	0.2
61.98829	100.0
62.98537	0.2
71.52294	0.1
72.25402	0.1
78.95903	0.3
97.55928	0.1
152.99623	0.3
225.44774	0.1
270.83163	0.1
354.39484	0.1
707.37518	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.0
57.03449	94.9
58.03767	1.4
59.01379	69.8
60.16026	0.7
61.98818	2.7
70.84187	0.7
71.01379	11.8
72.01712	0.7
73.02936	4.7
80.96516	3.9
81.03452	1.9
83.01383	2.7
85.02949	6.2
89.02450	1.5
90.18971	0.8
93.03452	1.9
95.01380	1.0
96.96012	1.1
98.20641	2.2
99.00867	2.7
99.04517	69.9
100.04856	2.3
101.02438	32.0
113.02452	5.3
123.04514	0.8
125.02438	26.4
126.02760	1.3
135.04549	1.3
143.03497	5.8
144.60713	0.8
153.05544	2.0
159.02945	1.2
161.04599	5.9
161.08200	2.6
164.98643	0.9
173.04538	1.8
191.05562	2.3
203.44997	0.8
221.10283	34.8
222.10666	1.4
225.00696	1.4
263.11328	14.6
264.11630	0.9
303.14404	6.4
315.10760	0.8
352.71100	0.8
365.14493	100.0
366.15015	6.9
404.00745	0.8
707.24524	7.5
708.24725	1.6
714.38684	0.9
720.27362	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.8
57.03444	0.8
58.00613	0.2
59.01378	100.0
60.01713	1.1
61.98826	5.5
69.36594	1.8
71.01381	8.1
72.99316	0.3
73.02949	3.4
75.00888	0.3
78.57095	0.2
83.01376	2.0
85.02947	4.3
87.00893	0.4
89.01998	0.2
89.02455	1.4
95.01396	0.6
97.02998	0.3
99.00853	1.6
101.02437	10.6
105.07103	0.3
113.02447	4.4
114.24440	0.2
125.02467	0.2
129.01988	0.3
136.55070	0.3
138.06866	0.3
139.07640	0.3
143.03502	0.4
151.07625	0.6
152.08453	0.7
153.09181	1.9
159.03012	1.0
161.04555	4.4
173.04550	0.4
179.05664	0.4
205.12323	1.1
223.13268	1.2
235.11850	19.1
236.12143	1.1
258.92719	0.2
277.12915	13.0
278.13202	0.5
321.11893	0.9
385.18762	2.2
510.33752	0.2
575.42200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29740	0.3
58.12816	0.3
59.01414	0.4
61.98845	0.6
65.03992	0.4
67.01919	0.5
67.11160	0.4
71.01390	0.9
71.36849	0.7
72.99310	20.7
77.04015	0.4
78.95902	5.9
79.05556	0.8
81.03461	2.3
82.66858	0.4
85.03027	0.4
89.03986	0.4
93.03471	1.9
95.01402	0.5
95.05019	3.7
96.96992	0.7
105.03465	3.7
107.05022	2.5
108.02164	2.8
109.02950	3.1
109.06606	0.4
112.72152	0.4
112.98582	0.7
118.92570	0.4
121.02963	4.0
122.03741	1.5
123.04525	27.5
124.04872	0.9
132.02171	1.7
133.02957	35.4
134.03329	1.4
135.04529	16.2
136.04851	0.5
137.02415	1.1
141.37117	0.4
149.02448	1.5
150.03229	0.9
151.04005	100.0
152.04333	4.0
152.99583	7.4
161.02437	64.6
161.69135	0.3
162.02786	2.7
163.11290	1.0
171.00621	1.4
171.10265	0.6
177.01935	7.1
179.03496	18.2
180.03773	0.8
181.12329	0.7
195.02972	7.7
199.09755	1.3
199.13362	0.8
207.10260	1.7
225.11328	3.1
226.11621	0.5
243.12286	1.3
244.78543	0.5
253.21707	0.5
269.08292	0.8
310.24585	0.4
313.07190	10.1
314.07428	0.8
357.06039	1.7
375.56140	0.4
379.11142	0.6
453.15045	1.4
471.16345	5.3
545.31177	25.9
546.31567	4.1
583.14069	0.5
673.58313	0.4
689.36511	0.5
707.37762	11.3
708.37762	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	707.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06559	0.8
55.58011	0.8
58.00576	0.9
59.01360	2.4
69.36775	5.1
71.01368	2.0
73.02940	2.6
75.42035	0.7
76.64880	0.8
78.95898	55.5
80.96468	0.9
83.05009	1.3
85.02948	1.4
96.96954	6.2
97.02940	2.6
97.06618	1.0
97.33395	0.6
98.20667	1.4
99.00848	2.2
109.06584	9.9
124.75082	0.8
125.09689	2.7
127.11308	1.3
137.09654	1.1
139.07629	1.0
142.02695	0.9
145.37904	0.8
150.97968	0.8
152.99576	80.5
153.09230	0.8
153.99936	0.9
155.10770	1.3
163.11269	7.1
170.99252	1.1
171.00638	10.9
171.10248	10.5
179.10718	1.4
181.12323	6.3
185.11787	1.7
197.11774	2.4
199.09747	19.5
199.13344	3.6
200.10040	1.2
207.10242	22.3
208.10582	1.6
215.12875	3.2
225.11302	29.2
226.11615	1.6
227.03195	3.5
243.12331	8.4
245.04256	2.3
253.21689	9.0
255.23201	1.4
277.21674	1.8
335.08810	1.0
361.10562	1.7
372.06833	0.8
379.11655	5.1
409.12534	2.9
427.13940	0.9
431.78885	0.7
435.13901	2.1
453.15369	16.5
454.15759	1.5
471.16302	55.3
472.16748	4.1
663.36304	1.1
689.36749	9.8
690.36816	2.1
707.37671	100.0
708.37988	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.469
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.20718	0.5
70.18118	0.6
70.18457	1.4
71.01379	0.8
79.95724	1.0
80.96514	5.5
83.57149	0.4
89.36824	0.4
94.98071	1.1
95.44350	0.4
114.33277	0.4
134.97601	0.5
152.99689	0.5
155.87686	0.4
164.98654	0.6
225.00826	1.4
436.20230	0.5
636.02405	0.5
709.38538	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78399	0.3
52.77737	0.3
54.36157	0.3
56.20872	0.3
57.03456	0.5
57.56787	0.3
58.00604	0.8
59.01384	1.9
64.16722	0.3
64.91418	0.3
70.37302	1.2
71.01403	1.3
71.88330	0.3
80.02689	1.0
81.03471	0.9
83.01369	0.4
83.05016	5.3
84.02190	1.3
85.02950	0.4
89.02455	1.2
95.05045	0.5
96.96045	0.7
98.05766	0.3
101.02460	1.3
109.06625	0.4
113.02425	1.0
119.03507	0.4
123.04539	0.9
125.06067	0.7
125.09718	2.1
127.11275	3.0
135.04494	0.6
135.08200	0.9
139.11302	0.5
147.11826	0.4
151.00285	0.4
153.05519	0.3
155.10794	1.0
161.04579	0.5
163.11261	3.2
165.09224	1.0
165.12852	2.0
167.03604	0.4
171.10243	1.4
173.04523	0.6
179.03470	0.5
179.08568	0.4
181.12335	0.6
186.00705	0.3
191.10771	0.7
199.09764	1.2
201.11311	48.9
202.11655	2.9
209.11812	100.0
210.12144	6.7
225.13326	0.3
227.12874	33.6
228.13165	1.9
235.08200	0.4
245.13916	29.5
246.14299	1.9
250.92163	0.3
253.09250	6.9
255.11275	0.3
301.03238	0.4
319.69666	0.3
333.28281	0.3
445.20697	1.4
463.21609	0.7
505.09457	0.9
632.84174	0.4
638.00409	0.3
691.25586	1.0
692.25769	0.3
702.49811	0.3
709.27594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53292	0.2
57.03424	0.3
59.01369	0.7
61.98848	0.6
63.96233	1.2
69.03435	0.6
70.24839	0.9
71.01380	7.8
71.01778	0.4
73.02933	1.7
73.91159	0.3
78.95877	0.3
78.98586	6.7
79.95731	12.0
80.96513	74.0
81.03456	0.5
81.96461	0.4
83.01377	0.5
85.02942	2.7
87.00867	2.8
94.98085	16.7
95.01350	0.3
96.96004	1.6
97.02953	1.7
99.00887	0.9
101.02446	2.4
106.98101	3.1
110.44461	0.3
110.81190	0.3
113.02429	0.6
122.97578	3.2
125.02448	3.7
127.03963	0.7
134.97572	5.4
136.99158	1.5
146.97592	0.6
148.98012	0.4
148.99139	6.2
152.98616	5.9
152.99626	0.3
161.04398	0.3
164.98616	11.5
167.00256	0.3
171.10266	1.8
188.98637	0.5
206.99706	2.6
225.00729	17.7
226.01102	0.8
236.47762	0.3
255.23175	1.5
291.18524	0.3
402.92715	0.3
453.14474	3.3
454.14929	0.3
471.42041	0.3
537.27582	1.5
684.47198	0.3
709.38318	100.0
710.38641	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
60.61056	0.3
61.98845	0.4
63.45858	0.3
63.96238	1.7
66.92665	0.3
69.03458	0.5
71.01374	7.1
73.02946	1.1
78.95898	1.0
78.98586	6.2
79.95731	11.1
80.96514	68.5
81.03468	0.4
83.01400	0.6
83.29827	0.3
85.02942	2.7
87.00878	2.9
90.99397	0.3
94.98081	14.9
96.95991	1.0
97.02939	2.0
98.19920	1.1
98.20645	0.9
99.00886	0.5
101.02454	2.1
106.98069	2.9
118.59521	0.3
122.97604	2.9
125.02449	2.6
127.04005	0.8
134.97572	4.9
136.99113	1.7
145.04971	0.4
146.97632	0.6
148.99138	5.7
152.98592	5.4
152.99594	0.6
153.32484	0.4
164.98625	11.6
167.00256	0.5
171.10213	2.2
188.98645	0.5
191.61850	0.4
206.99658	3.2
216.27774	0.3
225.00731	18.9
226.00983	0.4
228.94267	0.4
255.23370	2.3
283.04846	0.4
317.41010	0.4
453.14404	3.4
537.27399	1.6
691.37842	0.4
709.38342	100.0
710.38654	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	711.1411
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
55.01857	0.6
57.03456	0.6
57.10916	0.4
57.36250	0.4
59.01377	100.0
60.01715	0.7
63.02400	0.7
65.00327	1.6
69.45199	3.0
71.01382	8.7
73.02941	3.9
83.00989	0.5
83.01368	2.4
85.02955	5.1
89.02499	0.6
93.03450	0.4
95.01400	0.8
96.96043	0.6
98.20638	0.6
99.00892	1.5
101.02437	7.7
107.01389	4.0
109.02975	0.8
113.02457	4.2
121.02959	2.7
125.02425	0.6
129.83112	0.5
135.04507	0.6
145.03061	0.5
151.00363	17.9
152.00743	0.6
159.03035	0.8
159.04614	0.6
161.04547	4.6
163.00395	0.6
178.99863	7.5
179.01312	0.6
187.04109	0.6
190.34085	0.5
192.00713	0.6
193.01411	0.6
199.04088	0.8
213.02173	0.5
226.02594	0.5
227.03557	1.8
229.04971	0.7
243.02904	4.0
249.12259	0.4
255.02963	10.1
256.03574	0.7
257.04672	0.9
266.91803	0.4
269.10287	12.2
269.13077	1.0
270.10846	1.0
271.02451	19.1
272.02988	1.8
273.04193	0.9
299.01947	10.2
299.05261	0.6
300.02716	42.7
301.03467	39.8
302.03720	3.0
311.11310	5.5
311.42535	0.4
462.08279	1.6
463.08786	21.1
464.09262	3.2
505.09839	42.6
506.10202	6.5
512.35815	0.4
617.58807	0.5
667.15131	16.5
668.15637	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	713.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18824	0.5
53.35406	0.4
55.09291	0.4
59.00932	0.4
59.01377	1.4
67.27681	0.6
69.21159	0.4
69.23904	4.3
71.01385	3.4
73.02950	0.8
83.01376	0.9
85.02940	0.9
89.02442	0.6
91.01910	1.2
95.01420	0.6
95.05013	1.1
95.40977	0.5
97.02988	0.5
98.20133	2.3
101.02436	2.6
107.01412	1.5
108.02185	2.1
109.02931	1.2
111.00892	0.6
113.02443	1.5
121.02970	1.0
122.03773	0.6
123.00905	1.6
123.04520	75.0
124.04847	2.4
142.80975	0.6
151.00339	2.5
152.01144	4.8
153.05571	100.0
154.05888	4.6
166.02733	0.7
167.03485	26.2
168.03810	1.1
173.04575	0.5
181.05078	0.8
193.63574	0.5
193.65509	0.4
209.04735	0.6
296.05392	2.3
297.09915	1.0
311.07715	52.9
312.08099	3.6
357.11896	22.3
358.12253	1.9
465.13925	18.8
466.14508	2.5
613.34521	0.6
669.20630	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29310	0.6
54.48743	0.5
55.01864	0.8
57.03452	0.7
58.00584	1.1
59.01379	25.6
61.98814	1.3
69.03444	1.2
70.53249	1.2
71.01379	22.2
72.99301	2.1
73.02939	3.9
81.03452	0.9
83.01382	2.4
85.02947	5.3
86.00060	0.6
87.00883	5.3
89.02438	24.3
95.01376	1.9
97.02956	4.1
99.00898	1.2
101.02441	21.0
113.02444	10.4
115.04015	0.7
119.03497	5.6
125.02441	7.7
131.03474	1.1
133.05060	1.1
139.03989	0.7
141.01964	0.6
143.03468	3.2
149.04489	0.8
161.04541	4.5
179.05594	4.1
185.04449	0.9
217.07150	0.8
221.06639	1.5
235.08194	11.8
253.09288	1.5
255.23273	64.3
256.23593	5.9
287.07712	3.2
305.08762	4.1
323.09790	1.1
379.12338	0.7
397.13477	100.0
398.13782	7.7
415.14563	30.9
416.14828	2.6
649.23328	1.1
653.37439	7.5
654.37927	1.7
706.37866	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.3
57.03443	0.7
59.01377	4.8
61.98821	1.0
69.03464	3.8
70.37157	1.1
71.01383	3.6
71.05019	1.3
73.02952	1.4
83.01381	0.4
84.35421	0.3
85.02966	0.9
87.00880	1.0
89.02449	2.0
95.01400	0.8
97.02940	0.7
97.06613	0.6
101.02439	3.8
113.02448	1.3
113.79941	0.4
119.03536	0.5
123.08150	1.2
125.09751	1.8
133.05125	0.3
137.09735	0.5
145.09860	0.3
147.86400	0.3
151.11293	2.6
153.12866	1.0
161.04559	1.1
161.09717	3.7
179.09328	0.7
179.10773	6.1
180.11066	0.5
197.11819	37.4
198.12080	2.3
223.09784	0.9
235.08249	0.9
241.10791	1.8
253.09380	2.4
255.23279	71.2
256.23630	6.4
269.24875	0.5
293.21179	1.7
297.24701	0.3
303.24081	0.4
317.74362	0.3
386.61572	0.3
394.33286	0.3
459.18857	0.7
477.19897	0.6
483.97018	0.4
655.35974	0.4
715.42700	100.0
716.43048	23.8
716.56030	0.7
736.52673	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	716.3708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.2
60.38568	0.1
61.98827	100.0
62.98514	0.2
62.99234	0.1
71.01379	0.1
72.01688	0.1
78.95861	0.1
89.02465	0.2
97.79572	0.1
118.57688	0.1
142.94658	0.1
161.02490	0.3
189.41930	0.1
192.82483	0.1
214.90878	0.1
230.57166	0.1
235.08301	0.1
255.23373	0.2
256.23624	0.1
257.23804	0.1
398.13980	0.2
399.14182	0.3
400.14288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08275	0.9
55.26818	1.0
56.70581	0.9
57.03450	1.1
59.01381	13.5
61.98824	11.3
62.96972	0.9
63.18731	0.8
64.57910	0.9
69.03436	0.8
69.85583	1.8
69.85976	2.6
71.01379	10.6
72.99304	2.5
73.89706	0.8
76.75887	1.0
78.93210	0.8
83.01386	2.6
83.05028	1.0
85.02952	2.1
87.00868	12.3
88.98827	1.0
89.02442	5.8
93.03486	1.1
95.01401	1.3
96.96011	8.2
98.20612	1.2
99.00920	1.0
101.02418	6.1
109.02998	1.1
110.02477	2.2
111.04538	2.5
113.02446	7.7
116.92900	1.9
119.04990	1.5
120.08186	2.4
122.06114	1.0
123.04515	1.3
129.01956	1.1
133.02962	3.1
134.06105	5.4
135.04523	4.4
137.02457	1.0
141.01939	1.3
143.03497	1.2
143.54149	0.9
150.05608	1.3
152.03531	1.2
153.05614	1.7
161.02432	6.8
161.04536	3.1
163.04013	2.1
163.59700	0.9
171.10223	1.4
173.04575	2.0
179.03493	2.2
179.05609	1.3
197.04524	1.2
197.11848	1.2
201.10347	2.1
209.11819	5.3
211.13412	4.2
229.09802	2.1
229.13583	1.5
255.11444	2.1
271.20667	6.8
273.12488	1.4
283.20688	2.0
289.21719	5.1
301.11926	3.3
307.22742	1.1
315.19601	3.8
319.13071	4.5
323.09802	12.9
331.22833	13.3
332.14844	0.9
332.23364	1.3
333.20691	100.0
334.21036	9.3
339.08694	1.0
345.20697	18.4
346.21356	1.7
347.22269	23.2
348.22473	1.9
357.20605	1.6
375.21732	28.5
376.22113	1.9
387.21890	1.5
392.16235	1.0
397.13983	1.0
405.22614	0.9
416.16016	1.3
419.20813	1.6
434.17450	1.2
435.23819	42.4
436.24069	5.0
495.25800	5.5
537.24976	1.0
581.23779	1.2
599.25269	2.3
623.25732	1.0
641.26532	4.9
657.31244	73.2
658.31641	11.8
685.25470	8.1
686.25140	2.1
717.27692	17.3
718.28296	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	717.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
59.01370	2.8
61.98821	1.0
69.03475	0.6
69.71574	2.7
71.01369	5.1
71.05033	2.4
73.02940	1.5
78.95879	0.5
85.02953	1.0
87.00897	0.8
89.02449	2.1
95.01395	0.5
97.02940	1.9
97.06567	0.8
99.00874	9.5
101.02425	3.0
109.06615	0.7
110.03738	0.5
113.02419	1.3
123.08157	1.0
125.09702	4.7
135.08145	1.0
145.04997	0.7
154.58432	0.5
161.04529	0.9
163.11276	5.7
164.11411	0.5
171.10225	0.5
181.12335	8.1
195.63911	0.5
197.11800	0.6
199.13406	9.7
200.13718	0.8
207.10255	18.1
214.67305	0.5
225.11302	25.5
226.11642	1.7
233.72618	0.5
235.08214	1.2
237.22264	0.5
243.12358	4.8
253.09319	1.7
255.23273	63.8
256.23627	5.8
271.36090	0.5
299.04550	0.5
307.71429	0.5
390.32870	0.5
408.70715	0.5
425.79788	0.5
432.26852	0.5
443.19208	1.0
451.13443	0.5
461.19922	1.1
479.20819	0.7
638.18878	0.6
699.43402	4.1
700.42731	0.6
717.44257	100.0
718.44604	24.0
718.54364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02118	0.4
59.01389	0.8
60.38092	0.4
61.98829	12.0
71.01356	0.6
72.99302	2.3
80.96498	0.9
81.56081	0.4
84.22918	0.5
93.03417	0.6
95.29580	0.4
96.96014	0.4
101.02428	0.5
109.02921	1.9
113.09129	0.4
119.05032	5.2
121.02953	1.2
122.21477	0.4
123.04485	0.5
132.02148	0.8
133.02960	15.0
134.03372	0.5
135.04532	9.2
138.05569	0.5
145.02959	0.9
149.02414	3.6
150.03264	3.6
161.02435	100.0
162.02776	4.4
163.03999	10.9
171.10263	0.5
174.03209	0.6
177.01918	0.5
179.03461	4.8
180.03708	0.5
181.05060	24.9
182.05394	1.1
191.05470	0.5
201.06058	0.4
209.11778	0.8
211.13231	0.5
250.06339	0.6
253.09126	1.0
267.06589	9.1
268.07129	1.4
283.06137	1.3
293.04401	0.6
293.21289	1.8
311.05576	15.5
312.06131	1.7
313.07150	3.0
327.04489	0.4
327.21448	0.4
335.01147	0.5
343.08188	42.5
344.08566	4.0
389.16238	0.7
405.90811	0.4
445.80441	0.5
475.10248	2.0
505.11426	1.6
509.10675	0.6
655.14368	1.0
656.80646	0.4
719.29175	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4295
Annotation	KDdiA-PC
Peak:m/z	Relative Intensity
57.03432	1.0
59.01375	1.6
61.98822	3.8
69.03455	13.2
69.92902	1.4
69.93294	2.0
71.01370	3.2
71.05013	2.0
72.52403	0.7
78.95904	33.3
81.03443	1.2
95.01357	1.0
95.05007	0.8
96.96954	1.7
97.02927	2.1
97.06583	1.3
108.02190	0.9
109.06564	0.9
111.04534	0.8
114.27911	0.9
120.48844	0.7
122.98532	30.2
123.04527	0.7
123.08139	6.8
125.09718	4.5
134.98521	3.0
136.05293	1.3
137.09721	4.1
142.02663	0.9
149.09645	1.5
151.11275	2.4
152.99593	10.2
161.09682	5.1
168.04324	4.9
179.10770	33.7
180.11150	2.4
182.05882	0.8
197.11862	10.2
198.12180	1.2
205.08636	2.6
209.11755	1.2
211.13377	2.7
223.09737	15.0
223.13094	0.9
224.06842	2.2
224.10019	1.6
241.10832	5.7
255.12372	42.3
255.23274	100.0
256.12738	2.4
256.23636	8.3
391.22672	2.0
403.11642	2.0
480.30991	3.2
483.27411	1.0
647.35657	2.4
659.35602	28.3
660.36108	5.1
718.43048	46.9
719.43323	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	719.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10478	0.7
59.01380	5.8
64.00223	0.7
70.53359	2.0
71.01403	3.7
73.38665	0.6
76.42534	0.8
89.02441	7.0
98.16772	0.7
101.02434	2.0
113.02419	3.1
119.03487	3.4
121.76068	0.7
134.37231	0.8
138.34261	0.7
143.03503	1.0
144.21423	0.8
155.42313	0.8
179.05562	3.8
215.03302	4.5
296.89771	0.7
341.06741	1.3
341.10864	20.4
342.11249	1.8
373.49451	0.7
377.08542	100.0
378.08981	7.3
443.85675	0.8
455.65002	0.7
502.26379	0.8
700.38678	1.0
749.55731	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46048	0.5
52.80742	0.6
55.01957	0.7
58.00708	0.7
59.01180	1.9
59.01527	3.4
61.98616	5.8
61.98987	8.9
69.03242	1.6
69.03662	1.9
69.22123	4.8
71.01153	3.0
71.01598	2.9
71.04826	1.2
71.05212	1.1
72.99114	0.6
74.11516	0.5
80.02452	1.2
80.02904	1.1
80.96350	0.6
81.03212	1.3
81.03712	0.7
83.01225	0.7
83.04767	3.8
83.05328	2.5
84.01971	0.7
85.02721	1.2
85.03166	0.7
89.02179	2.0
89.02789	1.3
93.03259	0.8
95.01179	0.6
95.04865	0.6
97.02731	1.0
97.03265	0.8
97.06377	0.6
99.00639	0.7
101.02148	3.2
101.02864	1.2
108.01939	0.8
113.02170	1.2
119.03232	0.8
123.07928	0.8
125.09374	2.0
130.75168	0.6
135.04251	1.1
135.05118	0.6
135.07925	0.7
147.11192	0.5
151.10895	2.1
153.12584	1.1
161.02116	1.2
161.04303	1.0
161.09303	3.0
162.64284	0.6
163.10870	3.4
165.12447	2.1
171.09903	0.7
173.04169	0.8
173.46284	0.6
179.03284	0.7
179.10353	6.9
179.12079	0.9
191.10483	1.3
197.11392	62.2
197.13394	6.7
197.14316	2.6
198.11752	3.7
207.10034	0.8
209.11366	61.1
209.14566	2.2
210.11693	3.9
223.09409	1.2
227.12419	4.2
241.10341	3.5
253.08771	3.9
300.02130	0.7
304.93106	0.5
305.42099	0.6
477.19284	1.5
687.32263	100.0
688.20856	1.3
688.32574	20.9
719.34967	26.0
720.35333	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	720.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46769	0.3
59.01370	0.6
61.98830	100.0
62.13689	0.3
65.42958	0.3
68.60074	0.3
70.35487	0.8
100.66346	0.3
101.02419	0.6
109.06594	0.4
111.71300	0.3
120.76648	0.3
163.11285	0.6
201.11360	0.9
207.10318	1.9
209.11847	1.6
210.12236	0.8
210.26791	0.3
225.11403	0.7
227.13156	0.3
232.17639	0.3
235.08278	0.5
248.05734	0.3
253.09282	0.7
255.23318	3.3
256.23648	2.2
277.21701	4.0
357.66315	0.3
373.80765	0.3
591.78949	0.3
721.41864	1.2
724.70160	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.5
59.01379	7.0
60.99299	1.1
61.98823	21.5
63.24435	0.9
63.40741	1.0
69.03479	1.4
69.72054	2.4
69.72468	3.2
69.83674	1.0
70.64769	0.9
71.01381	6.7
71.05020	3.0
72.99300	2.1
73.02943	1.8
80.02676	1.0
80.96507	1.1
81.03480	1.8
83.05028	4.3
85.02968	2.1
87.00875	1.3
88.98794	2.2
89.02460	2.5
91.00201	1.1
93.03440	1.7
95.05051	1.4
96.96033	1.7
97.02946	3.9
97.06588	2.4
98.20226	3.3
99.00877	17.3
99.04509	1.2
101.02428	3.9
109.06594	2.4
113.02451	2.3
119.05026	1.9
123.04472	1.5
123.08179	1.7
125.09727	6.9
135.04489	3.7
155.03409	1.1
155.14365	1.1
161.02438	3.6
161.04472	1.5
163.04053	1.8
163.11284	14.6
165.12822	1.8
167.03583	1.0
171.10216	5.9
173.04517	3.3
179.03534	2.6
181.12323	15.1
182.12643	2.3
191.05559	1.7
197.11769	1.4
199.13342	9.6
207.08368	2.0
207.10277	23.9
209.11829	35.1
210.12164	3.6
225.11310	33.3
226.11661	2.4
227.12863	3.0
243.12355	18.4
244.12727	1.2
253.09335	3.0
438.86307	1.1
457.05783	1.1
461.20361	2.3
479.21219	3.8
502.74423	1.1
560.28241	1.1
630.25189	1.2
633.20575	1.2
645.22858	1.4
671.32782	1.2
677.31036	1.2
689.33875	100.0
690.34192	19.4
721.37067	7.4
722.36438	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79950	0.2
57.03447	1.2
59.01380	3.5
59.68252	0.2
61.98814	0.4
69.03477	0.3
70.84244	0.4
70.84588	0.3
71.01379	3.7
73.02930	0.5
78.95898	3.4
79.95724	1.1
85.02945	1.1
87.00878	0.6
89.02436	2.4
89.04491	0.2
90.59379	0.2
93.03446	0.6
95.01430	0.2
96.96009	39.9
96.96922	4.6
97.02941	0.3
99.00885	0.7
99.04491	0.6
101.02429	3.2
104.21102	0.2
111.00878	0.4
113.02456	3.0
115.00365	0.6
117.01950	0.5
117.03513	0.3
119.03499	0.6
123.04527	0.5
125.02444	0.9
131.03540	1.4
131.52937	0.3
133.02893	0.3
143.03496	0.9
143.04973	0.8
144.54089	0.2
145.02882	0.6
155.03485	0.5
159.04495	0.3
161.04549	1.4
163.03960	0.3
167.03465	0.3
173.04543	1.1
179.03401	0.3
179.05618	2.7
197.06049	1.0
203.05594	1.1
208.05408	0.3
215.05649	0.4
225.05612	2.5
226.06343	100.0
227.06691	7.0
241.08693	99.7
242.09024	7.5
245.06610	1.4
251.07135	0.8
252.07924	0.5
253.08652	0.3
254.09224	0.3
256.74860	0.3
277.05435	0.5
279.06577	0.4
280.07318	1.3
295.09732	1.6
321.07684	1.0
323.09799	4.7
324.10379	0.5
339.08698	2.5
357.09808	2.5
379.15924	0.5
421.09839	3.2
499.14923	0.3
616.01648	0.3
648.56750	0.3
663.19397	1.9
723.25354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59069	0.2
57.03446	6.1
59.01381	2.4
61.17656	0.2
61.98812	0.6
71.01372	4.0
71.64502	0.2
72.05818	0.2
72.99310	0.3
73.02950	1.1
73.12068	0.2
76.49298	0.2
77.03979	0.4
81.07095	0.5
83.01405	0.3
83.05016	0.5
85.02938	1.4
89.02467	0.3
93.03461	0.8
95.05019	1.7
96.96007	0.7
99.00856	0.4
99.08154	32.8
100.08511	1.2
101.02430	1.8
101.06122	0.2
105.03487	0.5
109.03008	0.4
109.06590	1.0
113.02442	1.2
121.02975	0.6
121.89348	0.3
123.04520	74.5
124.04849	2.7
127.07648	44.7
128.07999	1.7
129.05574	33.9
130.05913	0.8
133.02959	0.4
135.04514	0.8
137.02579	0.3
137.30647	0.2
138.03223	0.8
145.80875	0.2
149.02458	0.6
153.05565	40.7
154.05881	1.6
159.03047	0.3
161.02438	1.6
161.04541	3.9
169.35059	0.2
171.06610	8.6
171.10303	0.8
172.06979	0.4
173.04498	0.6
179.03539	0.4
189.07643	3.0
191.05620	0.3
193.05098	0.3
197.04462	0.3
198.23048	0.2
201.11353	0.6
209.11795	3.8
225.11113	0.2
227.12939	1.3
229.41779	0.3
285.09778	12.3
286.10300	0.6
291.03076	0.6
301.90479	0.2
309.04041	0.4
327.21628	0.8
359.07568	0.4
363.34064	0.3
439.16193	0.5
457.17114	100.0
458.17453	12.2
681.35022	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56939	1.0
53.77313	0.9
59.01371	5.0
60.28439	1.0
61.00192	1.0
61.98822	1.1
62.31368	0.9
62.66786	1.0
70.66689	1.6
70.67039	1.9
71.01376	1.9
73.02966	2.3
77.79089	0.9
78.95897	61.7
80.96510	2.2
82.24910	0.8
83.05019	1.2
83.95076	0.9
95.92451	0.8
96.96948	5.8
97.02956	1.3
97.06575	1.1
100.50012	1.0
109.06596	5.2
125.09708	4.8
127.11262	4.9
140.04016	1.0
152.99579	87.1
153.99962	1.7
155.10800	1.4
163.11259	4.4
171.00652	11.8
171.10254	100.0
172.10593	5.0
181.12329	2.9
197.11760	1.4
199.09744	14.7
199.13329	2.3
201.11305	14.6
207.10258	11.2
209.11803	7.5
215.12860	2.7
225.11319	16.9
227.03282	7.4
228.03734	1.0
243.12180	4.6
245.04289	2.9
246.63292	1.0
253.21672	18.8
254.22208	1.8
255.23248	2.3
261.13367	3.1
279.23248	7.9
307.09399	2.4
329.66507	1.0
335.09125	1.9
361.10684	2.3
379.11606	4.3
381.13254	1.0
397.12631	5.8
399.14194	46.1
400.14603	4.1
409.12656	3.5
427.13617	5.7
429.15430	3.6
435.14285	1.5
450.26782	1.0
453.15219	14.4
454.15265	1.5
471.16357	37.7
472.16489	3.5
489.17426	17.4
490.17493	1.2
502.13120	0.9
635.35553	38.7
636.35876	8.0
646.38959	1.2
663.35712	2.5
664.34424	1.2
665.36652	1.2
689.36365	3.5
692.57568	1.1
707.37665	38.6
708.38031	7.1
725.38470	22.3
726.39246	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	727.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	59.4
61.98829	8.0
71.01371	3.1
71.51945	2.1
72.99277	2.0
80.05062	5.3
82.95382	1.7
101.02387	2.5
106.06627	7.0
108.04544	1.8
117.03473	5.6
118.34005	1.6
119.05021	36.0
119.05835	3.2
120.04510	3.4
120.08181	2.9
121.02961	2.0
121.05350	1.8
122.06136	18.7
123.04497	2.0
125.02496	2.0
134.06113	35.0
135.04491	4.1
135.06442	1.5
145.02928	10.6
146.06117	2.5
152.07140	3.2
160.04056	2.7
160.06429	9.7
161.02477	2.7
163.03996	31.0
173.04568	1.9
174.05582	3.9
190.05103	2.8
195.13878	2.1
197.07196	3.2
201.11375	1.6
209.11812	2.0
213.10315	39.0
214.10600	3.6
223.08626	2.2
225.10335	3.9
226.11134	2.7
227.11879	2.8
235.08394	1.7
236.09708	2.0
239.11894	20.6
241.13464	23.4
249.10335	3.2
251.11780	5.3
260.38318	1.9
265.09662	2.1
267.11334	2.0
277.09726	7.5
278.10477	2.1
285.12448	81.5
286.12781	5.7
293.09848	2.1
293.12875	10.2
293.21191	30.7
295.10916	5.3
305.08945	8.4
307.10849	2.4
316.14447	1.8
328.11014	1.9
337.11972	4.5
342.12384	3.3
343.13168	3.7
344.13766	2.1
355.12970	6.2
356.13803	2.4
357.14746	3.7
358.15610	20.1
359.02029	1.7
359.16043	2.5
365.11484	11.7
366.11670	1.8
367.13058	3.2
370.15509	4.3
384.13083	3.5
397.13684	16.2
398.14224	3.2
400.16513	13.2
412.16696	4.6
415.14822	10.3
491.20776	4.0
505.22607	5.1
538.05774	2.0
539.26532	3.4
542.16333	2.2
545.17725	12.6
547.23163	18.5
548.23584	2.7
565.24530	16.7
583.25140	1.8
591.22260	15.1
607.25562	83.8
608.25854	20.2
610.23901	4.4
616.68457	1.7
623.25031	4.1
651.24561	100.0
652.24866	23.3
683.26880	16.5
684.27814	3.5
691.35760	4.9
701.10596	1.8
727.33624	21.9
728.34088	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	727.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68721	1.0
59.01379	28.6
61.98814	3.5
69.75383	5.5
71.01379	4.5
78.95872	1.8
81.34197	1.1
83.11668	0.9
89.02441	2.4
101.02398	1.8
125.09702	1.1
127.11185	1.3
140.14366	1.2
151.11259	4.0
152.99664	1.9
169.12335	29.6
171.10269	72.9
172.10587	2.4
180.18469	1.1
205.58693	1.1
213.11243	2.5
231.12335	2.4
248.25328	1.4
253.09245	2.2
261.00766	1.2
277.18863	1.9
277.21701	24.0
278.22064	3.0
449.20645	1.4
467.21420	2.0
647.24011	1.2
709.41608	3.7
727.42712	100.0
728.43091	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	727.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38897	0.2
57.44387	0.2
58.37523	0.2
59.01379	13.5
59.59493	0.2
69.34052	0.3
69.34454	1.3
71.01385	1.4
73.02926	0.2
78.95919	0.4
85.02979	0.3
87.00854	0.3
89.02444	1.1
101.01853	0.2
101.02421	1.1
113.02444	0.6
125.09721	0.8
127.11314	1.3
152.99542	0.5
153.09233	0.5
161.04594	0.5
171.10265	100.0
172.09186	0.4
172.10619	5.2
235.08206	1.8
253.09258	4.8
254.09581	0.5
277.21704	51.4
278.22058	4.5
312.29245	0.2
313.85214	0.2
407.19208	3.6
479.87704	0.2
513.30377	0.5
709.38593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66463	0.3
58.00622	0.3
59.01375	18.1
61.98833	0.5
69.34012	0.2
69.34287	1.9
71.01387	1.8
73.02961	0.6
78.95899	0.5
85.02938	0.5
87.00874	0.6
89.02448	1.1
101.02431	1.6
102.98226	0.2
113.02441	1.1
113.59229	0.2
117.69539	0.3
119.03471	0.5
125.09702	0.4
127.11272	1.1
127.21369	0.2
145.05005	0.4
150.57382	0.3
152.99561	0.8
153.09193	0.4
161.04550	0.9
165.01608	0.3
171.10258	85.5
172.10590	5.0
209.11847	0.9
233.22830	0.5
235.08203	4.0
253.09271	7.5
254.09593	0.5
255.23253	0.3
259.20514	0.3
277.21695	100.0
278.22028	10.3
281.24908	1.2
317.93686	0.3
407.19205	1.9
513.30511	1.4
514.31628	0.3
567.57007	0.3
740.25177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97837	0.5
57.03460	0.7
58.97484	0.6
59.01369	3.2
60.49181	0.6
60.99297	1.0
61.98831	7.6
64.90960	0.6
67.01894	3.0
69.03456	1.1
71.01369	3.7
71.52074	0.7
71.52482	0.9
72.99316	1.2
76.12141	0.6
81.03447	1.2
85.02960	3.8
87.00900	1.1
93.03455	20.2
96.95982	3.0
99.04491	0.7
109.02946	3.8
111.00881	1.1
111.04508	4.1
113.02484	0.6
115.92294	0.6
117.03445	0.8
121.02946	1.0
123.04503	1.3
127.04029	1.1
133.02924	4.8
134.03728	4.3
135.04526	62.3
136.04799	3.8
137.02420	7.1
149.02457	4.4
149.06104	1.1
150.03207	3.1
150.06848	1.8
153.05579	1.2
155.03540	5.2
161.02434	13.7
162.02834	0.9
173.04539	100.0
174.03426	0.5
174.04852	3.4
177.01900	1.0
178.02699	2.0
179.03490	63.3
179.10730	1.0
180.03821	3.6
191.05600	42.2
192.05951	1.7
193.05028	2.4
201.11334	1.5
209.11780	4.5
211.78642	0.7
227.12730	1.3
228.13356	0.7
237.05722	0.8
250.06392	0.9
267.06589	7.0
268.07077	1.3
311.05563	12.7
312.06183	2.3
327.19272	0.6
330.92816	0.7
341.06534	1.0
351.07129	5.5
352.07816	2.5
353.08746	93.6
354.09125	7.6
383.04514	0.7
387.23734	1.5
437.81693	0.7
450.84869	0.6
485.10883	2.1
491.09512	2.6
503.10260	0.9
515.11859	5.4
665.14996	12.8
666.15509	3.2
727.38788	3.4
728.40179	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	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99793	0.1
61.77842	0.1
61.98829	100.0
75.02490	0.1
80.96533	0.4
98.14507	0.1
101.07167	0.1
148.46523	0.1
171.10300	0.5
172.10614	0.3
173.10744	0.1
199.65150	0.1
199.87543	0.1
256.83780	0.1
278.22260	0.2
313.18408	0.1
731.36743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
61.98828	100.0
70.07430	0.2
70.07806	0.1
78.95926	0.1
79.95734	0.2
80.96492	0.6
116.33551	0.1
117.22953	0.1
135.01251	0.1
135.59753	0.1
171.10246	0.6
172.10648	0.3
215.63333	0.1
225.00775	0.1
261.80084	0.1
277.21826	0.3
278.21991	0.5
279.22446	0.3
280.22638	0.1
280.27829	0.1
281.24881	0.1
293.21222	0.1
353.68152	0.1
547.35809	0.1
731.36578	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
60.42087	0.2
60.98589	0.2
61.98830	100.0
65.42923	0.2
66.91882	0.2
83.05035	0.2
120.05418	0.2
127.04037	0.8
128.03484	0.2
128.04388	0.2
135.04506	0.4
137.02446	0.2
152.26805	0.2
161.02417	0.3
173.04594	0.3
179.03517	0.2
197.11964	0.2
209.11896	0.4
221.32452	0.2
288.47910	0.2
315.54263	0.2
376.30103	0.2
378.25537	0.2
471.92175	0.3
475.94138	0.2
586.64752	0.2
688.39984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.1
61.98829	100.0
62.98528	0.1
69.79449	0.4
73.91282	0.1
87.39694	0.1
94.92696	0.1
119.05021	0.1
131.17163	0.1
135.04556	0.2
173.04668	0.1
185.11787	0.1
195.75992	0.1
209.11902	0.5
210.12262	0.1
214.98248	0.1
217.28571	0.1
295.72354	0.1
302.67734	0.1
341.74786	0.1
343.67999	0.1
450.14203	0.1
565.93414	0.1
573.96466	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	734.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37118	0.2
59.01374	0.4
61.98830	100.0
71.01409	0.2
72.99282	0.2
80.96532	0.4
83.05031	0.2
96.96024	0.5
116.92893	0.4
122.14421	0.2
125.09722	0.4
133.03012	0.3
134.03789	0.2
135.04532	0.4
161.02431	0.5
173.04561	0.4
179.03549	0.4
207.10277	0.2
209.11830	2.9
210.12219	1.4
227.12999	0.5
228.13304	0.2
253.09386	0.2
336.08667	0.2
393.88162	0.2
446.21481	0.3
533.86395	0.2
734.40289	0.6
735.29297	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
60.73204	0.4
61.98824	0.9
70.89026	0.5
70.89352	0.8
71.01340	0.4
72.99306	21.5
80.73410	0.4
83.81002	0.4
84.16276	0.4
91.71224	0.5
93.03469	1.5
96.95997	0.7
99.00882	0.5
105.03473	0.7
107.05016	2.0
108.02163	0.5
109.02953	8.3
113.02396	0.4
117.03454	0.9
123.04528	10.9
132.02104	0.5
133.02951	19.8
134.03786	3.0
135.04518	72.3
136.04822	3.4
137.02516	0.6
147.04477	0.9
149.02452	0.4
151.04004	2.0
159.04523	1.7
161.02434	100.0
162.02774	4.8
173.04552	0.7
175.04053	0.6
177.01863	1.0
179.03487	28.7
180.03842	1.2
185.02434	3.7
185.06097	0.5
186.02980	0.4
191.05585	0.5
197.04541	30.5
198.04852	1.5
199.07693	0.4
203.03415	0.8
204.87753	0.4
208.65767	0.4
211.07620	0.4
213.05391	0.6
213.09114	0.6
221.04445	0.9
222.06790	0.7
223.07663	2.4
225.09169	1.8
233.06113	0.5
239.07130	1.5
240.07454	0.4
241.08691	2.6
249.05530	1.1
251.07115	2.7
265.05075	0.6
267.06555	1.7
269.08252	2.6
277.04987	1.4
279.02893	0.7
285.07635	1.3
287.09381	0.5
293.04410	0.6
295.06067	9.3
295.09140	0.7
296.06442	1.2
313.07196	5.7
320.70227	0.4
321.04037	4.3
322.04541	0.5
339.04980	4.0
357.06122	4.0
359.07687	73.6
360.08069	7.2
414.90512	0.5
431.11310	0.5
465.12018	1.0
475.10202	1.1
493.11450	3.2
519.09351	4.6
537.10352	1.5
635.82141	0.5
726.14545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2144
Annotation	Helonioside B
Peak:m/z	Relative Intensity
59.01381	2.5
61.98825	1.9
69.24644	0.6
69.25046	2.3
71.01369	1.6
72.99314	0.8
73.02945	1.7
78.30753	0.3
83.01392	0.6
85.02966	0.5
87.00864	0.8
89.02464	0.5
89.03987	0.6
93.03471	0.7
96.96029	1.4
101.02471	1.4
104.02655	0.3
108.34025	0.3
113.02467	1.2
116.92883	0.4
117.03466	1.0
118.69268	0.3
132.02162	21.8
133.02870	1.1
133.88472	0.4
134.03734	15.1
135.04477	1.2
137.02429	0.7
149.06081	2.2
160.01649	76.2
161.02113	4.2
161.04756	0.3
173.04524	0.7
175.03989	100.0
176.04323	6.8
178.02733	1.7
179.03491	1.6
191.07146	0.4
193.05045	13.4
193.06827	0.7
194.05414	0.5
247.06267	0.3
265.07159	0.7
307.08347	0.4
319.08154	0.5
319.24829	0.4
337.09290	1.5
341.10782	0.4
343.11951	0.4
389.13019	0.4
405.67654	0.4
429.04776	0.3
487.06348	0.4
499.14819	0.6
513.13953	1.4
541.15472	6.0
542.15930	1.0
559.16602	13.8
560.16827	2.5
684.64063	0.4
735.21271	8.5
736.20978	2.2
749.23486	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98536	0.2
63.88994	0.1
69.72063	0.1
71.01371	0.1
71.51465	0.1
71.51821	0.1
80.96509	0.2
96.96022	0.1
106.64919	0.1
127.22186	0.1
135.04546	0.1
161.02412	0.1
173.04706	0.1
209.11868	0.2
261.45285	0.1
310.00348	0.1
419.23550	0.1
688.41266	0.1
736.30835	0.1
737.31207	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	61.5
59.68330	1.0
61.98838	1.1
66.77445	0.9
69.80046	4.9
71.01388	3.2
71.05020	2.2
73.02942	1.4
75.91724	0.8
85.02943	1.8
96.96001	1.9
99.04520	7.9
99.08166	2.6
101.02435	3.4
102.13711	0.8
103.00363	5.4
109.02975	2.3
113.02447	2.3
115.04005	5.5
115.07645	1.4
117.05621	4.4
117.06324	0.9
135.04544	2.9
143.07106	3.8
146.75259	0.9
161.08188	100.0
162.08479	4.0
167.03514	1.2
167.80173	0.9
173.04573	4.9
179.03522	1.2
182.65553	1.0
191.05695	2.2
203.09248	24.3
209.04503	2.1
247.08177	1.2
256.34525	1.0
261.87839	0.9
311.95258	1.0
351.12723	1.3
357.06155	1.0
385.18701	1.8
445.20596	1.7
460.24261	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
59.01384	1.8
61.98829	4.3
63.96237	1.3
64.03375	0.4
69.03450	0.6
69.79703	2.0
71.01382	8.4
72.99303	1.1
73.02934	2.4
78.95901	0.8
78.98585	6.4
79.95729	15.4
80.02682	0.5
80.96514	77.0
81.03435	1.2
83.01379	0.9
83.05032	0.4
85.02947	2.9
87.00870	3.6
93.03451	0.4
94.98083	16.7
95.01408	0.4
96.95988	1.7
97.02929	1.9
98.19902	0.7
99.00896	0.8
101.02431	2.4
105.43159	0.3
106.98096	3.8
113.02464	0.6
117.02900	0.4
122.97573	4.4
125.02418	3.0
127.03998	1.1
134.97588	5.5
135.04538	1.0
136.99138	2.3
143.03477	0.4
145.02939	0.5
146.97583	0.3
148.99139	7.3
152.98637	6.9
152.99693	0.3
161.02463	0.6
163.11250	0.6
164.98630	14.8
167.00208	0.5
171.10127	0.5
173.04520	0.7
176.98593	0.4
179.03525	0.9
191.05594	0.5
197.11821	0.7
206.99680	4.3
209.11795	6.7
210.12114	1.2
215.12909	1.1
225.00732	28.7
226.01009	1.2
227.12880	0.7
283.04849	0.7
339.39346	0.3
379.75653	0.4
397.16833	0.9
438.68088	0.3
509.16904	5.4
510.17535	0.6
663.33411	1.3
677.36292	0.6
726.40167	0.4
737.30536	100.0
738.30847	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	737.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31523	0.6
55.01868	1.0
56.37078	0.6
57.01590	0.8
57.03432	0.8
58.00592	1.1
59.01376	28.6
61.98823	1.1
68.64457	0.8
69.03456	1.9
69.99900	2.8
71.01376	24.2
72.99310	1.6
73.02946	4.2
82.62469	0.6
83.01381	2.3
85.02962	5.2
87.00887	4.1
89.02443	21.0
95.01333	1.5
97.02943	4.3
99.00845	1.2
101.02437	18.9
101.44375	0.7
113.02448	8.8
119.03497	5.8
121.02901	0.8
125.02446	8.6
131.03493	0.7
139.04016	0.7
143.03519	3.4
161.04529	5.0
179.05573	4.0
221.06575	1.1
235.08202	9.8
245.06656	1.2
251.10400	0.8
253.09254	2.2
263.07556	1.1
279.23273	73.1
280.23615	8.7
287.07660	3.4
305.08749	4.5
323.09659	1.3
397.13480	100.0
398.13748	8.1
415.14587	32.2
415.18918	0.5
416.14883	2.9
585.18005	0.8
677.37738	4.4
678.37701	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03440	0.7
59.01379	5.2
61.60428	0.3
61.98831	3.8
67.01870	0.3
69.03455	3.0
69.31873	3.2
71.01378	5.0
71.05024	1.4
72.09228	0.4
73.02935	1.0
76.04835	0.3
78.95918	0.9
83.01372	0.4
85.02942	0.9
85.65539	0.4
87.00883	0.9
89.02457	2.2
94.19712	0.4
101.02422	2.9
113.02438	1.6
119.03523	0.7
123.08161	1.0
125.09748	1.7
137.09741	0.4
138.09149	0.3
150.94601	0.3
151.11267	1.6
152.99591	0.5
153.12823	2.0
161.04549	1.1
161.09764	2.1
169.12280	2.2
179.10754	5.5
197.11819	78.3
198.12173	4.5
201.11188	0.5
206.97385	0.4
208.78300	0.4
219.92471	0.4
223.09744	1.6
225.11322	0.6
241.10812	2.9
247.49803	0.3
253.09177	3.4
255.23251	1.6
277.21701	27.9
278.21994	2.5
279.23279	1.3
394.46698	0.4
459.18753	0.5
477.19830	1.8
653.46851	0.4
711.55267	0.4
719.39838	0.9
737.41125	100.0
738.41345	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81205	0.6
56.68282	0.6
59.01158	0.6
59.01377	6.7
61.98827	12.1
63.53566	0.6
69.03439	2.3
69.34281	4.7
71.01387	4.6
71.01710	0.8
71.05003	0.8
73.02932	1.1
78.95907	1.1
82.73225	0.6
85.02939	0.9
87.00867	1.4
89.02428	2.5
95.01421	0.6
97.06575	0.9
101.02423	3.7
113.02431	2.5
123.08089	0.9
125.09694	1.3
151.11269	1.9
152.99472	0.8
153.12814	1.7
161.04564	1.0
161.09688	2.6
169.12337	14.9
170.12648	0.8
179.10715	4.2
197.11819	55.1
198.12151	3.0
223.09679	1.7
231.80371	0.6
235.08153	0.9
241.10664	1.5
253.09209	3.0
255.23196	1.5
277.21707	47.7
278.22113	5.8
279.23282	3.6
389.80222	0.8
407.80594	0.8
477.19675	0.8
737.41071	100.0
738.41223	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	738.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	0.2
61.98826	100.0
62.98524	0.2
62.99254	0.1
71.01390	0.2
73.02966	0.1
85.02971	0.1
89.02454	0.1
97.02995	0.1
98.19929	0.1
101.02461	0.1
102.02773	0.1
110.76126	0.0
113.02466	0.1
122.53966	0.1
123.17455	0.1
125.02441	0.0
195.48740	0.1
198.32964	0.0
207.10359	0.1
227.12877	0.1
277.21768	0.2
278.22092	0.2
279.22452	0.1
293.21457	0.1
339.69577	0.0
397.13651	0.1
398.13907	0.2
399.13989	0.2
400.14343	0.1
416.15021	0.1
417.15350	0.1
489.10413	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	738.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98827	100.0
62.98533	0.1
69.28938	0.1
71.01386	0.2
80.13885	0.1
89.02409	0.1
98.19833	0.1
101.02464	0.1
112.29787	0.1
113.79604	0.1
145.78564	0.1
165.43773	0.1
209.11783	0.2
236.08559	0.1
277.21829	0.2
278.22119	0.2
279.22461	0.2
293.21265	0.1
397.13617	0.1
398.13974	0.2
399.14059	0.3
400.14209	0.1
415.14572	0.1
417.15094	0.1
456.62747	0.1
478.70346	0.1
709.46332	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	738.5077
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
56.20780	0.5
59.01374	2.2
61.98828	1.4
70.72988	1.1
71.01353	0.7
78.95905	20.5
79.95712	0.5
80.96541	1.0
96.96945	1.3
129.99602	0.4
141.01700	1.1
144.22354	0.5
152.99585	14.9
160.95230	0.5
222.54900	0.6
225.11398	0.6
261.22269	0.9
277.21780	2.6
279.23276	100.0
280.23636	10.4
281.24747	0.8
402.24002	0.5
458.26773	3.1
476.27661	0.9
738.50842	43.3
739.51294	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	739.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63584	1.2
59.01374	6.4
61.98830	8.6
71.52311	1.5
71.52700	1.5
72.99305	2.5
83.23915	1.3
85.02934	1.4
87.52027	1.3
96.95986	1.2
125.73692	1.5
135.04498	2.4
142.55124	1.5
149.06000	2.8
150.06860	44.2
151.07266	1.8
158.47841	1.4
161.02431	2.1
163.07639	33.8
164.08496	10.0
177.09201	1.6
179.10738	18.9
209.11766	4.1
225.37396	1.5
279.23297	2.8
280.23544	2.2
309.24438	3.0
311.22186	13.4
473.32391	4.7
476.31558	2.9
490.33105	27.0
491.33777	27.3
492.34140	5.0
505.24438	2.1
510.54941	1.6
635.38666	1.8
653.39026	2.8
695.40070	100.0
696.40460	23.0
736.64539	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	739.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
56.95567	0.5
57.03429	0.7
59.01378	7.6
61.98829	27.8
69.26858	1.7
69.27280	3.2
71.01376	6.9
71.05034	2.7
73.02956	0.6
78.95885	1.2
79.62820	0.5
83.01398	1.0
85.02952	1.4
87.00869	1.2
89.02425	2.1
92.90189	0.5
97.02950	4.2
97.06576	1.3
98.52426	0.5
99.00266	0.9
99.00878	9.5
99.47303	0.5
101.02423	3.7
109.06567	0.9
110.03762	0.8
113.02439	1.6
119.03499	0.7
123.08180	0.7
125.09711	4.5
127.11281	1.2
142.02673	1.0
152.99579	1.2
155.14371	0.7
161.04512	1.5
163.11296	7.2
171.10219	1.8
172.70557	0.5
179.10796	0.8
181.12338	14.5
182.12595	0.6
197.11768	1.5
199.13382	25.3
200.13664	0.7
201.11246	0.7
207.10254	30.7
208.10519	1.6
225.11317	55.3
226.11668	3.2
243.12381	13.0
253.09196	2.1
277.21710	33.8
278.22037	2.6
279.23148	1.2
280.23602	0.6
317.16116	0.8
443.18857	0.8
444.19559	0.6
461.20242	8.3
462.20602	0.7
479.21259	2.1
721.41547	4.3
722.42206	0.8
739.42651	100.0
740.42963	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85548	0.5
57.03444	0.6
59.01151	0.5
59.01372	5.5
61.98827	3.2
71.01378	6.0
71.05007	2.5
71.06500	0.5
71.78480	0.6
73.02968	1.4
78.95894	0.9
83.05022	0.8
85.02924	0.8
87.00864	1.6
89.02438	1.7
97.02945	2.8
97.06580	2.5
99.00874	9.8
101.02428	4.3
105.36057	0.6
109.06587	0.9
113.02423	2.4
123.08175	1.0
125.09711	5.6
127.11284	0.8
131.00826	0.5
131.38751	0.5
135.08180	0.8
142.02667	1.1
161.04478	1.1
163.11281	6.7
167.46516	0.7
171.10280	3.0
178.88608	0.6
181.12326	9.4
182.12622	0.9
197.11833	0.8
199.13406	10.0
200.13750	0.7
201.11339	1.8
207.10255	21.2
207.12195	1.1
208.10651	1.6
225.11293	35.3
226.11635	1.7
235.08234	2.0
243.12395	5.6
253.09212	3.3
277.21701	58.0
278.22040	5.9
279.23151	2.3
293.21307	0.7
298.39291	0.6
299.72702	0.5
353.50229	0.6
387.00513	0.6
443.18924	1.0
461.20352	4.0
510.52823	0.6
721.41669	4.1
722.41241	0.9
739.42670	100.0
740.43048	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	740.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14614	0.1
59.01370	0.2
61.98827	100.0
62.98526	0.1
71.01373	0.2
71.41220	0.1
89.02449	0.2
92.28430	0.1
101.02440	0.2
144.82193	0.1
146.15123	0.1
150.79886	0.1
195.32629	0.1
209.11949	0.1
213.81866	0.1
225.07005	0.1
235.08409	0.1
250.64397	0.1
277.21387	0.1
279.23230	0.2
280.23706	0.2
295.22873	0.2
397.13559	0.2
398.14053	0.1
399.13931	0.3
400.14270	0.1
565.49225	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	740.4926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80851	0.1
59.01380	0.1
61.98829	100.0
62.98532	0.1
83.05020	0.1
96.35895	0.1
98.19926	0.1
667.54865	0.1
679.50134	0.3
680.50519	0.7
740.49182	2.5
741.49628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04945	0.2
57.50164	0.2
59.01376	0.5
69.51078	0.6
69.51485	1.2
78.95889	1.3
83.01385	1.7
96.96013	10.5
96.96936	2.4
98.20737	0.3
109.02918	0.4
111.86594	0.2
116.66379	0.3
133.50235	0.3
134.03772	0.7
135.04503	0.9
143.05159	0.2
147.04533	0.3
155.05083	0.4
159.95143	0.3
161.02429	0.4
165.01971	0.3
171.04536	1.0
172.05153	0.3
173.04628	0.4
174.03223	0.4
179.03493	0.3
181.06612	0.4
183.04504	0.6
183.08032	0.4
191.05598	0.4
193.05023	0.3
193.06566	0.6
195.04521	0.3
195.08148	0.3
196.05260	1.0
197.06059	1.2
198.03133	0.8
199.04034	3.9
199.07671	0.6
200.04660	0.4
203.03143	0.3
209.06030	2.0
210.03186	1.4
210.06714	0.3
211.04013	7.2
211.07504	1.5
212.04568	1.2
213.05571	0.3
219.04515	0.3
221.06036	1.0
223.03960	1.0
224.04799	2.4
225.05482	1.4
226.02715	0.8
226.06322	0.8
227.03490	43.5
227.07137	2.7
228.04233	20.2
229.04631	1.4
237.05525	2.5
238.06302	3.4
239.03516	0.8
239.07083	2.6
240.04265	6.6
241.04991	4.8
242.05304	0.4
248.04819	0.6
249.05531	2.0
250.06163	0.7
253.05058	0.6
254.05905	1.2
255.06621	5.2
256.07074	0.3
264.04282	0.5
265.05011	2.1
266.05704	0.7
267.06604	7.1
267.09506	0.5
268.06732	0.4
269.04608	0.5
281.04611	0.3
282.05219	0.6
283.06073	3.7
293.04465	0.5
311.05594	100.0
312.05914	9.4
353.08960	0.3
355.04538	8.2
355.09213	0.5
356.05020	1.0
369.40036	0.3
741.26611	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4065
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97714	0.8
59.01373	19.3
61.98826	4.4
67.11680	0.9
70.99390	1.7
71.01388	2.1
75.73489	0.8
78.95890	1.2
82.34811	0.9
85.02959	1.3
96.96004	4.1
119.05023	3.8
135.04518	1.6
135.08168	1.4
143.62492	0.9
149.06044	3.6
150.06848	51.9
151.07199	2.6
161.02463	2.1
162.06889	2.6
163.04021	2.4
163.07632	26.8
164.08409	11.1
173.04626	1.9
177.09145	1.8
178.10028	0.9
179.10765	23.7
179.12270	1.8
197.96745	0.9
311.25717	2.5
313.23798	16.2
327.08795	2.7
474.34000	1.1
475.34253	4.9
478.32761	1.8
492.34552	27.9
493.35275	27.6
494.35245	5.5
643.27631	1.1
655.40033	2.1
697.41602	100.0
698.42017	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	743.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.7
71.51279	0.2
89.02448	0.3
93.03416	0.3
95.05000	0.3
96.96001	0.2
121.03054	0.3
122.03773	0.5
123.04521	63.3
124.04829	2.2
135.04536	0.7
153.05569	100.0
154.05891	4.7
165.54729	0.2
173.04591	0.2
179.03537	0.5
179.05489	0.2
195.06680	0.2
200.79047	0.2
215.95158	0.2
216.26781	0.2
244.26837	0.2
295.39960	0.2
357.11887	27.4
358.12180	2.5
634.37183	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77509	0.3
59.01376	3.8
61.98836	0.7
67.01894	0.4
69.60807	2.2
71.01385	0.5
85.12124	0.3
102.26053	0.3
106.94804	0.4
108.04558	0.4
119.05061	0.5
120.04543	2.3
121.05367	1.8
122.06118	5.1
123.06488	0.4
132.67296	0.4
134.06129	2.7
135.06905	0.9
136.07683	10.3
137.07907	0.4
150.06825	0.4
158.02530	0.6
160.03925	0.4
160.06348	0.4
161.07263	0.8
162.05626	0.5
171.10423	0.4
171.11728	1.7
186.09174	0.7
189.10312	0.5
190.05115	1.0
198.09248	1.5
199.10025	1.7
202.08864	0.4
207.10313	0.4
213.06572	0.4
214.09222	0.4
214.12383	9.6
215.12711	0.7
226.07466	0.4
227.08218	1.9
228.09093	0.8
229.09821	3.5
230.11890	4.0
239.11852	0.4
241.09827	6.9
242.10570	13.6
243.10867	1.3
256.12094	0.6
257.12936	75.5
258.13254	5.7
283.11005	0.5
301.11911	100.0
302.12253	9.5
323.18832	0.3
337.12030	1.2
397.13995	5.2
398.14618	0.8
579.28064	0.4
601.22644	0.4
667.23682	0.5
699.26593	0.6
707.34485	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	24.1
59.24646	0.5
61.98812	1.7
62.41877	0.5
64.81290	0.6
70.84583	1.2
71.01345	1.1
72.99287	1.4
79.16153	0.5
80.05056	3.2
85.02942	0.9
87.00856	0.5
88.98834	0.5
89.02450	0.8
96.96027	0.9
101.02410	0.9
104.05097	0.9
106.06606	5.4
107.03770	1.1
108.04525	2.7
122.06116	4.9
123.67125	0.6
130.06595	1.0
132.04546	0.7
133.02943	0.7
134.06120	22.9
134.45171	0.6
135.04500	1.2
136.07692	4.3
146.06133	3.0
148.04041	0.9
148.07651	1.5
152.07228	3.6
158.02539	0.6
158.06030	0.9
160.04039	1.7
161.02415	1.1
162.05536	0.7
171.10356	0.8
173.04645	1.4
174.05602	1.9
177.01849	0.7
179.03499	1.4
180.06689	6.8
185.02333	0.5
186.05550	1.1
188.07166	13.7
189.07542	1.1
190.05089	1.1
194.08220	2.3
200.07149	0.6
202.05109	0.7
209.11841	1.3
210.07939	0.7
211.08693	2.3
223.08669	1.3
223.12334	0.8
224.09486	1.2
225.05615	0.9
225.10283	4.1
226.11185	0.7
227.11862	3.4
234.07959	1.0
237.10251	1.6
238.07542	1.2
239.11862	2.0
248.09486	1.1
249.10269	1.7
250.11084	0.7
251.08214	1.8
251.11847	2.1
252.09010	1.7
253.09824	6.1
263.08176	1.6
264.08975	2.2
265.09821	3.7
267.11316	2.5
277.09909	5.4
277.12802	1.0
278.10440	1.2
279.07715	2.3
279.11353	4.2
280.08380	0.8
291.07684	0.7
292.08490	2.0
293.09271	4.4
293.12720	1.3
294.10083	3.0
295.10880	24.2
296.11282	2.3
305.09247	3.9
306.10153	1.5
307.10883	16.6
308.11066	1.7
321.08960	1.4
321.12537	1.5
337.11874	1.4
343.67828	0.6
355.13080	1.3
356.13797	0.9
357.14655	0.8
358.15463	0.9
365.11447	0.7
372.17133	1.5
374.18854	1.9
397.13962	2.6
398.14352	0.9
400.16547	2.6
414.18607	3.2
418.17694	1.2
440.16028	1.2
442.17630	12.8
443.18109	1.3
458.17014	1.4
460.18781	3.6
461.18948	0.6
468.15567	2.1
486.16644	4.1
487.17310	0.6
502.19849	30.7
503.20151	5.2
518.19312	1.4
536.20502	1.1
539.28741	1.9
546.18787	100.0
547.19141	15.7
550.22314	0.7
578.21405	55.2
579.21698	10.9
669.25653	2.0
701.27740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97158	0.8
58.55000	0.9
59.01382	35.1
59.71591	1.0
61.98826	22.5
63.73236	0.8
71.01369	1.4
71.52620	1.7
73.02961	1.0
74.02464	1.2
87.00827	1.4
88.98808	3.3
93.03415	1.1
96.96008	3.6
101.02427	1.2
106.06635	2.8
107.03756	3.5
108.04564	4.8
109.02988	1.2
119.04958	1.0
121.05327	3.7
122.06120	34.1
124.07672	7.6
130.02983	1.7
132.04559	4.4
134.06117	34.1
134.29051	0.9
135.04489	2.6
135.06485	2.0
136.07677	84.8
137.08002	3.6
141.40434	0.9
144.04539	1.7
145.02940	1.1
146.08247	1.3
148.03928	0.9
152.07193	1.4
158.02473	9.0
160.04082	1.0
161.02458	1.8
162.05574	1.4
168.06624	9.1
171.10252	1.4
176.03557	2.1
179.03407	1.5
180.06650	8.2
188.07266	0.9
190.05084	32.4
191.05515	3.6
192.06641	1.2
194.08226	1.7
202.05125	3.4
203.05882	1.7
204.06596	1.3
209.11838	3.5
216.06590	2.9
227.12891	2.1
235.08650	1.5
239.11804	1.9
243.11365	3.5
249.10335	4.0
251.11824	1.8
257.12900	2.3
263.08069	1.4
277.09781	5.4
278.10391	2.0
279.11313	3.9
285.12469	1.2
293.09061	1.6
295.10693	2.2
301.11661	1.1
302.12717	4.8
303.13474	15.9
305.09305	8.6
307.10828	1.8
309.09219	1.0
309.12415	4.8
321.04190	1.1
323.10229	6.7
337.11905	36.2
338.12357	4.1
339.13525	3.6
361.20172	1.1
365.11517	1.1
367.12598	1.5
376.21060	1.0
383.12491	1.9
397.14008	100.0
398.14365	11.8
399.15558	2.5
414.14655	1.6
430.13782	1.4
432.15601	1.3
446.17273	1.0
490.19781	1.4
497.26877	1.0
506.19495	7.3
533.17487	1.6
534.18793	2.9
539.28510	3.6
546.18524	2.6
565.20239	3.8
566.21167	8.1
567.21417	1.0
578.21143	2.1
609.23224	1.3
651.24213	1.4
669.25580	19.9
670.25916	6.5
683.27173	2.7
701.28088	22.0
702.28949	5.5
746.35492	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	747.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57864	1.1
58.31956	1.2
59.01379	100.0
61.98808	1.8
82.65746	1.1
89.41147	1.0
96.96021	3.5
140.67230	1.1
152.99532	2.5
160.16611	1.4
178.37012	1.1
210.48169	1.1
255.23135	1.6
265.14764	5.0
288.79584	1.2
332.46457	1.2
455.17004	4.7
473.18143	4.9
474.18195	1.8
496.13907	2.6
512.13519	10.5
513.13843	1.9
526.14923	10.4
527.15125	3.9
538.01501	1.4
569.16437	2.0
599.17029	1.5
601.19440	4.2
614.20215	74.2
615.20276	21.1
632.17798	1.5
644.01868	1.5
646.19122	10.3
647.19525	3.3
687.23328	4.2
747.25177	70.2
747.36536	2.6
748.25476	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	747.3991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98801	5.6
67.56395	1.6
70.30676	4.5
71.01363	6.6
78.95871	3.6
78.98571	6.7
79.95730	12.7
80.96512	74.5
85.02920	2.8
87.00876	1.5
94.98086	18.4
96.95990	2.6
98.19862	1.6
101.02426	2.4
106.98081	3.6
113.50980	1.5
120.87486	1.5
122.97576	4.1
125.02409	2.3
130.58264	1.6
134.97563	5.6
144.01561	1.7
144.47389	1.5
148.99127	4.2
152.98619	6.4
160.80031	1.6
164.98637	9.7
206.99641	1.9
209.11794	2.1
225.00758	14.1
255.23227	6.8
256.23526	2.3
281.24765	4.2
298.95844	1.8
399.10788	1.4
491.16211	1.9
557.72522	1.7
747.39874	100.0
747.50848	5.9
748.40338	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	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
61.98829	1.0
71.01377	1.2
72.99302	2.9
73.02941	0.4
73.99665	0.3
75.00867	100.0
76.01218	0.9
85.02926	0.2
87.00887	0.2
89.02467	0.9
98.19958	0.5
101.02409	1.2
113.02431	0.5
123.71822	0.2
125.02460	0.5
130.63206	0.2
145.24445	0.2
161.04584	0.3
179.05614	0.3
235.08214	0.8
259.20749	0.2
277.21707	3.4
278.22134	0.5
305.08823	0.3
397.13452	7.0
398.13800	0.5
415.14648	2.3
662.40247	0.2
675.35547	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69696	1.0
58.00575	2.4
58.58001	1.0
58.86805	1.1
59.01382	32.1
61.98830	75.5
69.03456	2.5
71.01378	25.9
71.52308	1.9
72.99295	2.5
73.02946	3.2
78.95908	1.6
81.03443	1.3
83.01394	2.8
85.02954	6.5
87.00874	5.4
89.02442	21.4
95.01377	2.0
96.95985	1.5
97.02949	4.5
99.00887	1.3
101.02443	20.1
105.97343	1.0
109.06587	1.2
113.02455	11.1
113.09700	2.4
116.92866	1.9
119.03513	5.3
125.02441	6.3
135.04492	1.1
143.03479	2.5
147.81264	1.0
161.02399	3.9
161.04547	3.6
171.10284	1.6
179.05620	4.9
183.13876	8.8
184.14243	1.1
195.13896	4.6
207.10284	1.1
209.11780	1.9
211.13322	3.7
217.00224	2.7
221.06654	2.0
223.13292	3.4
235.08237	8.1
253.09149	3.1
253.62781	1.1
275.20074	5.0
287.07626	2.0
293.21219	100.0
294.21591	10.2
305.08850	2.3
325.50391	1.0
343.07935	1.6
366.54697	1.1
373.54257	1.0
397.13483	82.4
398.13898	7.0
415.14539	44.2
416.14917	3.7
691.35175	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	751.3757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86419	1.6
59.01381	22.9
61.98829	100.0
71.01386	20.6
71.52319	2.5
72.42660	1.7
72.99292	2.9
73.02936	3.0
79.95748	1.7
80.96524	4.3
85.02949	3.5
87.00883	4.5
89.02448	17.1
89.46293	1.8
96.95967	2.6
97.02959	2.0
98.06105	1.8
101.02444	13.3
112.74318	1.9
113.02451	6.8
116.92836	3.2
119.03463	3.1
119.04965	1.6
125.02426	7.8
135.04472	4.5
150.03201	1.6
161.02458	3.8
161.04469	3.1
163.03925	1.7
173.04591	2.1
179.05609	2.3
181.05063	2.2
209.11827	7.2
235.08185	7.7
235.17035	23.2
236.17368	3.5
243.06497	1.9
275.20126	27.3
287.07602	1.9
287.16422	2.2
293.21213	73.0
294.21524	5.2
305.17401	1.8
360.46835	1.9
366.58862	1.8
370.20981	1.8
397.13455	63.6
398.13681	4.6
415.14597	35.4
416.14624	2.2
489.18979	1.8
617.61151	1.9
691.34412	2.2
698.79449	2.3
706.71881	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.2
61.98823	4.4
69.03446	2.9
71.01378	5.1
71.05001	2.2
71.36205	1.2
73.02931	1.6
75.00854	2.3
78.95896	1.0
84.76768	0.8
85.02954	1.1
87.00852	1.0
89.02434	2.6
97.06576	0.9
99.75104	0.8
101.02457	4.2
109.06569	1.3
113.02441	2.5
120.82391	0.8
123.08152	1.0
125.09702	2.6
151.11266	2.6
153.12814	2.0
161.09689	2.4
171.10265	2.3
179.10789	5.2
195.13890	3.7
197.11823	79.2
198.12129	4.6
207.10222	2.7
209.11812	3.3
223.09622	1.4
223.13446	1.5
225.11421	1.1
241.10748	3.7
253.09137	4.5
275.20123	3.1
276.20465	0.9
291.19693	1.3
293.21201	11.4
309.20670	1.2
415.04782	0.8
477.19287	1.5
753.40613	100.0
754.40930	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.4
61.98830	100.0
65.97123	0.1
69.93503	0.5
71.01385	0.3
80.96497	0.2
93.03445	0.1
96.96009	0.3
98.20667	0.1
101.02503	0.1
106.50076	0.1
128.03653	0.1
135.04562	0.2
137.09880	0.1
157.13747	0.1
161.02438	0.2
173.04526	0.2
209.11783	0.2
279.35812	0.1
293.21265	0.3
294.21603	0.3
358.60825	0.1
407.66360	0.1
464.20895	0.1
606.80743	0.1
754.36267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98831	100.0
62.98542	0.2
69.70181	0.2
69.70586	0.4
71.01413	0.1
73.02966	0.1
96.96031	0.3
100.35499	0.1
135.04485	0.2
161.02531	0.2
165.89400	0.1
179.03572	0.1
209.11848	0.4
293.21271	0.1
294.21548	0.1
295.21924	0.1
309.20682	0.2
328.10242	0.1
424.34250	0.1
448.07303	0.1
629.44385	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2037
Annotation	Quercetin 3-rhamnosyl-(1->4)-rhamnosyl-(1->6)-glucoside
Peak:m/z	Relative Intensity
59.01380	1.0
61.98824	0.9
63.02392	0.5
65.00317	1.1
67.01884	0.3
69.90989	0.7
69.91394	0.4
71.01359	0.3
80.43760	0.2
83.01389	0.7
91.01820	0.3
93.03470	0.5
96.96001	0.6
101.02471	0.3
107.01398	1.8
108.02172	1.8
109.02937	0.4
121.02950	0.6
135.00873	0.9
135.78525	0.3
147.04573	0.4
148.01637	1.4
151.00369	5.6
152.00963	0.3
153.01971	0.4
159.04459	0.3
162.99147	0.2
163.00389	1.0
163.04074	0.4
164.01129	0.9
171.04485	0.3
173.04648	0.3
175.04013	0.4
178.99875	3.6
183.04485	0.3
191.05771	0.3
192.00661	0.5
199.03983	0.8
200.04469	0.2
201.02022	0.4
211.03963	0.9
215.03456	0.9
216.04233	0.5
226.02695	1.4
227.03490	2.6
230.75204	0.3
243.02954	11.1
244.03462	1.5
254.02182	2.6
255.02969	25.9
256.03381	2.1
271.02460	58.8
272.02875	7.0
273.03778	0.6
299.01987	2.4
300.02722	100.0
301.03238	13.6
302.03754	0.7
551.26520	0.3
556.09808	0.3
755.20343	58.1
756.20728	13.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39717	0.6
59.01376	3.6
61.98827	7.4
65.50172	0.6
70.17569	2.7
71.01355	1.2
71.03153	0.5
72.99311	0.7
73.02928	1.0
79.95726	0.9
80.96519	1.8
85.02935	1.1
93.03421	1.1
96.95997	4.2
97.06564	0.7
99.00858	1.7
123.04559	1.2
123.08144	0.7
125.09682	1.0
133.02966	0.8
135.04514	2.6
135.08131	1.8
136.05203	0.7
145.02902	0.6
149.06102	1.4
150.06863	32.1
151.07147	1.4
161.02432	2.2
162.06783	1.2
163.06311	1.0
163.07631	15.7
164.08414	7.5
165.08731	0.6
171.10233	2.0
173.04556	1.0
177.09213	0.9
179.10774	15.1
180.11021	1.1
181.04958	0.7
185.11835	2.3
209.11827	2.5
227.00984	0.6
236.75139	0.7
327.21762	12.2
328.21899	1.7
489.26218	0.7
489.32199	4.4
490.32584	0.7
492.30936	1.2
506.32443	17.3
507.33173	20.7
508.33524	3.6
539.18280	0.7
585.68860	0.7
630.42535	0.8
669.38513	1.3
711.39539	100.0
712.39960	24.8
755.30878	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	755.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.5
59.01367	1.7
61.98827	7.3
64.08359	0.5
69.18588	4.8
71.01373	1.0
72.99302	0.5
80.24525	0.5
80.91679	1.5
80.96515	1.3
96.96007	3.0
101.02531	0.4
109.06610	0.7
123.04491	0.5
135.04399	1.0
135.08171	0.8
136.05287	0.7
139.11255	1.0
149.06058	1.4
150.06857	31.3
151.07278	1.9
155.10725	0.8
161.02411	0.8
162.06871	0.9
163.06308	0.9
163.07637	14.7
164.08406	9.2
173.04527	0.6
177.09210	1.3
178.09973	1.2
179.03464	0.7
179.10774	17.3
180.11125	1.1
185.11826	3.8
209.11673	0.6
286.14221	0.6
291.19672	1.1
296.37671	0.6
309.20691	1.1
325.23874	1.1
327.21771	13.9
328.22003	1.5
363.21777	0.7
465.91238	0.5
488.31567	1.0
489.31982	3.8
490.32608	0.8
492.30795	0.8
506.32428	17.8
507.33200	22.2
508.33536	3.4
521.34381	0.6
527.97131	0.5
651.38098	0.8
669.38611	1.9
711.39563	100.0
712.39948	24.9
712.50391	0.4
755.30743	0.7
774.08594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39717	0.6
59.01376	3.6
61.98827	7.4
65.50172	0.6
70.17569	2.7
71.01355	1.2
71.03153	0.5
72.99311	0.7
73.02928	1.0
79.95726	0.9
80.96519	1.8
85.02935	1.1
93.03421	1.1
96.95997	4.2
97.06564	0.7
99.00858	1.7
123.04559	1.2
123.08144	0.7
125.09682	1.0
133.02966	0.8
135.04514	2.6
135.08131	1.8
136.05203	0.7
145.02902	0.6
149.06102	1.4
150.06863	32.1
151.07147	1.4
161.02432	2.2
162.06783	1.2
163.06311	1.0
163.07631	15.7
164.08414	7.5
165.08731	0.6
171.10233	2.0
173.04556	1.0
177.09213	0.9
179.10774	15.1
180.11021	1.1
181.04958	0.7
185.11835	2.3
209.11827	2.5
227.00984	0.6
236.75139	0.7
327.21762	12.2
328.21899	1.7
489.26218	0.7
489.32199	4.4
490.32584	0.7
492.30936	1.2
506.32443	17.3
507.33173	20.7
508.33524	3.6
539.18280	0.7
585.68860	0.7
630.42535	0.8
669.38513	1.3
711.39539	100.0
712.39960	24.8
755.30878	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	757.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	50.1
60.01714	1.2
61.98825	4.9
69.18780	6.9
69.19183	1.5
71.01363	1.0
72.99335	0.8
76.65205	0.7
80.96496	0.9
82.95412	1.0
92.37471	0.8
96.95993	1.9
103.00411	2.3
105.57484	0.9
106.06614	8.1
107.03783	1.3
122.06107	12.0
123.04549	0.9
134.06117	39.9
135.04517	2.4
135.06482	1.8
135.45879	0.9
152.07133	5.9
161.02394	2.2
172.09772	0.8
177.09216	1.0
179.03510	1.2
181.05203	0.8
186.05586	3.3
194.08238	4.9
209.11827	1.7
225.10323	2.9
235.08702	1.8
237.10370	4.3
247.08899	1.1
249.10251	4.3
250.07457	6.8
251.08101	2.8
262.07452	1.6
263.08255	6.3
263.10736	0.9
264.08716	1.6
265.09763	15.5
266.10153	1.0
268.01709	0.8
275.08234	1.7
276.08975	3.8
277.09793	11.9
278.06934	7.1
278.10321	2.5
279.07443	1.8
290.06970	1.3
291.07721	7.2
291.11234	2.4
292.08340	2.0
293.09293	65.3
294.09619	7.2
304.08441	2.3
305.09283	24.7
306.09894	6.1
307.10886	1.4
319.07559	1.0
319.10916	4.8
337.08273	5.2
354.12375	1.2
367.09787	1.1
368.10031	1.4
368.14255	1.7
370.15506	3.3
380.10394	1.3
382.11810	3.0
382.15921	1.9
383.12485	2.0
384.17184	1.2
395.13120	0.8
396.13571	2.7
397.14169	2.3
398.15063	8.3
399.15720	2.0
410.15442	4.8
411.15659	2.8
412.16779	9.2
413.17130	1.7
422.14810	0.9
425.13562	1.6
430.17984	2.0
438.14954	1.1
439.15137	1.3
440.16064	21.7
441.16571	4.4
454.17575	1.4
456.15619	2.0
458.17184	3.8
459.17630	1.0
466.13672	1.0
472.18735	7.3
484.15137	4.9
485.15488	1.2
486.20499	1.2
500.18216	15.0
501.18735	3.6
502.16281	1.3
514.19891	5.2
516.17755	1.6
526.16180	2.8
532.20972	4.6
533.20941	1.5
544.17200	76.4
545.16760	10.0
546.22528	5.5
547.23090	3.3
548.23529	1.0
558.18463	1.5
559.19550	29.1
560.19928	6.0
576.19849	23.4
577.20306	3.5
578.24487	1.4
590.21387	3.8
591.22015	9.9
592.22467	2.2
605.24036	11.6
606.24384	2.2
621.23291	1.1
637.26575	9.4
638.27045	1.7
639.24408	2.7
649.23065	7.8
650.23395	1.4
669.29120	3.0
670.30267	1.6
671.27472	1.3
681.25598	100.0
682.25946	24.4
682.37732	0.9
713.28381	21.6
713.40771	2.3
714.28784	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	757.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03436	0.8
57.64921	0.4
58.00584	0.7
59.01379	44.2
59.05862	0.4
60.54315	0.3
61.98823	3.1
67.22050	0.3
69.45121	1.5
69.45522	0.8
71.01379	15.8
71.41710	0.4
72.99301	1.5
73.02938	1.4
83.01382	1.1
85.00517	0.3
85.02950	4.3
87.00871	0.9
89.02447	11.7
95.01379	1.2
96.96013	0.7
98.19946	0.7
99.00863	0.8
101.02439	11.4
102.02786	0.5
113.02457	5.6
119.03485	4.8
120.95258	0.4
135.04533	0.8
143.08676	7.3
159.02986	0.4
159.11797	7.5
160.12088	0.7
161.04539	1.6
173.04477	0.6
175.11285	0.4
177.12856	1.7
179.05646	0.9
192.23897	0.4
221.11816	18.4
222.12141	1.2
269.10352	2.9
293.10275	0.6
311.11276	1.9
346.05365	0.5
401.18143	100.0
402.18500	9.7
487.62253	0.4
496.85904	0.4
751.92725	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	78.6
63.32548	17.1
63.96307	19.0
71.36103	20.2
72.99709	24.4
78.95892	22.3
80.71665	18.4
108.80231	14.9
121.43822	19.8
129.12857	18.3
156.88188	17.6
225.11295	28.8
421.47290	17.9
509.58035	20.7
519.19757	20.0
757.39191	100.0
758.39270	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	60.3
69.31229	100.0
78.95827	11.8
87.00842	14.8
99.16977	13.5
136.67775	13.3
152.82796	12.9
152.99579	18.4
207.10205	15.2
208.10484	16.6
225.11328	15.3
255.23421	16.2
277.21643	42.0
301.69913	12.9
739.89581	14.0
757.39648	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	757.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.1
59.74777	0.5
61.98828	3.6
63.53234	0.5
69.72449	2.4
71.01360	1.1
72.99277	0.6
82.95406	0.9
85.02945	1.2
85.07349	0.5
87.22276	0.4
87.38534	0.4
96.96014	1.3
99.00906	1.3
100.31779	0.5
111.76628	0.5
112.71923	0.4
116.92844	0.9
122.06059	0.6
123.04514	0.7
123.08083	0.6
133.02901	0.8
135.04497	1.6
135.08118	0.9
140.24945	0.5
149.06081	3.6
150.06857	40.7
151.07188	2.2
161.02489	0.9
161.09711	0.7
162.06856	1.6
163.07649	20.0
164.08408	9.5
173.04541	1.3
176.08488	0.6
177.01944	0.9
177.09116	1.0
178.09880	0.8
179.03481	1.2
179.10764	17.6
180.11105	1.1
180.29198	0.5
185.11758	0.7
191.05402	0.5
209.11804	0.7
215.12770	0.7
260.78207	0.5
273.72742	0.6
275.08969	0.5
327.21848	0.9
327.25333	3.4
329.23285	15.8
330.23572	1.2
463.34259	0.7
464.34912	0.6
490.32697	1.9
491.33994	3.8
492.33835	0.6
494.32620	1.1
506.85825	0.6
508.33990	23.0
509.34714	24.8
510.35294	4.6
514.84302	0.5
671.40344	1.8
713.41119	100.0
714.41455	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	757.4013
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01386	4.1
61.98529	0.5
61.98831	3.6
71.01376	0.9
71.52264	0.6
72.99285	0.7
73.27474	0.5
75.80852	0.6
84.23318	0.7
85.02942	1.1
92.35771	0.5
96.96001	1.4
108.03707	0.5
121.06639	0.7
123.04545	0.9
132.34352	0.5
133.02957	0.6
134.03703	0.7
135.04539	2.4
135.08188	1.2
136.05316	0.8
148.05289	0.6
149.06084	4.0
150.06857	42.6
151.07227	1.6
153.05583	0.6
161.02431	1.9
162.06841	1.8
163.07642	21.5
164.08403	8.5
171.10248	0.9
173.04556	0.8
176.08470	0.8
176.75920	0.5
177.01901	1.0
177.09155	1.8
178.09956	1.4
179.03532	1.0
179.10774	18.1
180.11060	0.6
181.05034	0.5
185.73250	0.5
209.11810	1.4
229.02031	0.5
285.20602	0.9
297.24393	2.3
299.22275	7.5
300.22629	1.1
311.22147	1.8
318.00162	0.5
327.25385	1.1
329.23309	1.2
384.95749	0.5
394.32791	0.5
432.32388	1.4
446.34409	2.8
447.34799	2.4
460.31760	1.1
461.32724	3.1
464.30960	1.0
470.61774	0.5
473.32587	1.0
478.32974	8.3
479.33752	8.2
480.34265	1.4
490.32965	4.6
491.33768	7.0
492.34131	1.2
508.33966	10.8
509.34650	7.4
564.20093	0.8
671.39905	2.2
683.40082	0.8
684.40125	0.6
695.39893	2.2
713.41150	100.0
714.41443	25.4
757.32159	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.8
61.98843	5.5
68.99552	1.6
69.96001	4.6
71.01379	100.0
72.01718	1.2
72.91209	0.9
73.02943	2.5
75.48560	0.8
78.95901	1.7
85.02921	1.5
87.00876	1.3
89.02435	3.0
97.02933	1.3
101.02416	5.0
109.06572	4.8
109.53346	0.9
110.42837	0.9
112.98578	1.7
113.02460	1.9
115.45854	0.9
125.09736	1.3
127.11269	2.4
151.64963	1.0
152.99551	2.0
161.04550	1.9
163.11324	2.3
171.10254	75.8
172.10617	4.3
181.08791	1.3
181.12303	1.6
183.13803	0.9
199.09749	9.5
201.11285	7.1
207.10236	13.2
225.11305	7.5
235.08189	3.8
253.09297	9.4
277.21710	85.8
278.22040	10.1
314.58545	1.1
322.65536	1.0
461.20490	2.1
520.15350	1.0
721.41589	2.3
757.43408	6.6
758.44269	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	757.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.2
54.18404	0.8
57.10551	0.8
59.01369	6.7
61.98838	5.3
68.83540	1.0
71.01381	100.0
73.02937	1.4
78.95930	1.0
81.03465	1.2
87.00866	1.5
101.02433	3.4
109.06583	4.0
112.98585	1.2
113.02438	1.5
125.09691	2.1
127.11268	1.9
152.99583	1.4
161.04550	1.2
163.11302	2.9
171.10271	79.6
172.10580	4.2
199.09737	10.6
201.11334	8.4
207.10274	10.6
225.11334	6.9
235.08165	3.7
236.74481	1.0
244.90067	0.9
253.09236	9.7
277.21710	83.7
278.21930	7.0
366.59381	0.9
461.20258	2.3
695.40039	1.3
721.41870	2.6
752.28412	1.0
757.43640	5.3
758.44067	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04243	0.8
59.01376	31.5
61.48445	0.9
61.98824	3.1
70.81905	2.4
71.01356	1.5
72.99303	0.8
80.05059	2.8
81.03474	0.9
82.02969	0.9
88.98788	2.3
96.96007	1.4
104.05063	1.2
106.06621	6.8
107.03769	1.3
108.04530	1.0
120.04541	1.9
122.06120	16.9
123.04552	1.4
132.04578	1.3
134.06126	25.6
135.04512	2.8
135.06467	1.1
136.07660	2.0
139.90813	0.8
146.06149	1.3
148.04018	1.8
148.07687	1.6
152.07225	2.1
152.45493	0.8
153.05708	0.9
160.04015	1.2
160.06335	1.5
161.02377	2.0
173.04526	1.9
174.05585	3.0
177.01947	2.5
179.03510	1.6
180.06703	1.4
188.07146	5.8
190.05060	1.1
194.08234	1.4
209.11786	1.4
211.08879	1.7
213.10310	8.0
223.08774	1.5
224.09396	1.0
224.55818	0.8
225.10411	3.1
226.11066	1.2
227.11940	3.5
235.08714	1.3
237.10341	2.9
239.11879	7.6
241.13478	5.6
249.10326	2.4
250.07434	1.5
251.08232	2.9
251.11894	2.9
252.08943	1.1
253.09732	3.5
257.13068	1.1
263.08139	2.1
264.08890	1.3
265.09879	4.5
266.10501	1.3
267.11353	2.9
277.09845	6.4
278.06946	3.6
278.10455	2.6
279.07648	4.4
279.11301	3.3
285.12454	12.9
286.12756	1.4
287.14035	1.9
291.07840	2.0
292.08521	1.8
293.09317	15.5
293.12912	3.5
294.09924	5.2
295.10864	9.8
296.10992	1.4
303.81210	0.9
305.09375	5.8
306.10031	3.1
307.10852	9.8
308.11172	0.9
309.08899	1.9
316.14420	1.4
321.08759	1.9
321.12338	1.9
337.08310	7.9
337.11826	1.7
338.08939	1.5
339.09885	1.3
340.14304	1.2
342.12305	1.5
351.09793	1.6
355.13068	1.6
356.13947	1.4
358.15625	5.3
365.11334	1.7
370.15561	2.0
382.15826	1.2
384.13428	2.4
397.14093	0.9
398.14896	1.8
399.15765	2.4
400.16684	8.5
401.16983	1.7
412.16739	2.9
413.17169	1.5
414.18277	2.1
415.18976	1.0
419.45859	0.9
426.14536	2.5
440.16101	1.4
441.16669	2.9
442.17645	6.5
443.18158	1.5
456.19000	3.2
458.17285	1.9
459.17447	1.2
460.18610	1.7
468.15686	2.4
474.20157	2.5
486.16611	6.1
487.17142	1.1
500.18216	1.1
501.18881	1.7
502.19714	3.9
516.21710	5.7
518.19019	1.3
532.20868	1.7
545.17987	2.8
546.18860	12.2
547.24280	5.0
560.20276	21.6
561.20551	2.9
565.24347	2.2
578.21381	4.1
579.26141	1.2
591.22253	3.1
592.23065	14.4
593.22992	2.0
607.25665	19.5
608.25775	3.1
623.25171	3.4
639.28186	25.0
640.28534	4.3
651.24261	9.3
652.24921	2.5
683.27161	100.0
684.27356	20.4
715.29657	20.2
716.30560	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	761.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01074	1.6
59.01374	32.3
61.98821	7.9
67.33054	1.1
69.29074	2.6
69.29475	9.8
71.01378	3.5
72.99300	1.5
80.05064	2.3
82.02995	1.6
82.95364	1.4
83.05016	1.7
88.98789	6.0
93.03474	1.8
94.02991	3.1
96.95979	2.7
98.02480	3.9
98.19931	2.4
99.04562	1.6
103.00311	1.2
106.06635	4.6
108.04615	1.6
110.02478	13.7
111.04533	15.1
120.08204	11.1
121.02982	2.2
122.06089	9.5
130.06676	1.9
133.02902	1.4
134.06114	23.5
135.04497	7.1
135.06432	1.6
136.04031	4.7
137.02504	1.4
138.05592	4.0
147.05637	2.5
149.02490	1.7
150.05588	6.9
152.03523	9.5
152.07175	3.4
154.05063	2.3
160.04007	2.1
161.02431	2.2
161.04739	1.6
162.05579	3.0
168.06679	2.8
171.10239	2.2
173.04582	5.7
174.05592	4.3
179.03455	5.1
190.05115	2.4
191.05559	3.9
195.86684	1.3
201.10390	7.3
209.11807	5.6
212.10837	1.5
213.10294	3.0
213.67621	1.5
223.08717	1.6
225.10362	1.9
226.69145	1.3
227.11783	7.6
229.09866	12.4
229.13463	5.0
230.11984	1.5
237.10371	1.9
239.11842	4.4
241.09837	2.7
249.10220	2.0
251.08003	1.6
251.11961	2.8
255.11340	9.9
257.12994	5.2
263.08286	2.0
265.09665	4.5
273.12515	6.9
277.09753	3.1
278.10263	2.1
279.11322	5.0
281.12772	1.4
287.10211	1.8
291.11316	1.8
292.08234	1.8
293.13040	1.5
295.10770	3.1
301.11917	23.9
302.12506	2.4
305.09277	4.2
307.11008	6.4
309.12231	1.8
319.12985	31.2
337.11841	2.9
353.08810	3.4
355.13083	3.6
358.11984	1.6
367.12964	4.3
370.15482	2.9
372.13412	3.3
374.15024	2.9
382.87045	1.6
391.15274	2.4
392.16257	4.9
397.13736	6.5
398.15167	1.9
400.12915	1.9
414.33658	1.4
416.16098	14.8
417.16379	3.5
428.15805	2.3
430.17673	5.1
434.17114	4.2
539.23016	2.4
548.19910	1.7
563.22925	5.2
573.27161	2.0
581.23938	4.8
597.27161	2.0
599.25055	12.0
600.25519	3.1
607.21704	1.8
623.25079	8.4
625.23151	6.3
641.26105	31.9
642.26398	6.2
643.23926	3.3
644.25092	3.2
657.25366	1.8
667.23785	4.4
673.28510	3.3
675.26660	3.8
685.25153	53.5
686.25385	10.8
699.26575	3.8
717.27777	100.0
718.27875	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.415
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66959	1.0
57.36147	1.1
59.01366	3.1
61.98835	1.9
63.96227	1.2
66.63180	0.9
69.03452	1.1
71.01383	8.6
73.02921	1.7
78.95893	5.4
78.98593	7.4
79.95731	16.6
80.96518	82.4
85.02947	3.8
87.00853	3.5
89.40814	1.1
94.97501	1.2
94.98087	19.9
97.02964	2.2
97.45624	0.9
101.02426	3.6
106.98051	3.2
122.97564	3.4
123.11623	1.0
125.02422	3.2
126.92738	1.1
127.04039	1.5
132.98071	1.1
134.97601	4.7
136.99147	1.7
145.80640	1.1
148.99138	8.1
152.98595	5.2
152.99684	1.9
153.69713	1.2
164.98622	12.6
167.05371	1.0
179.00179	1.1
206.99562	2.8
223.13524	1.6
224.98685	1.7
225.00754	23.3
226.00914	1.4
255.23360	6.7
271.22711	1.8
279.23187	1.9
403.27490	1.1
461.56378	1.2
505.17209	1.9
537.26874	2.0
761.41339	100.0
762.41602	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	762.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98583	0.3
71.01377	0.3
78.98594	0.3
79.95731	0.6
80.96511	3.1
94.98089	1.0
98.20706	0.4
105.62658	0.2
136.67403	0.3
139.62784	0.3
164.98608	0.5
225.00719	0.7
255.23346	0.3
626.38165	0.3
643.07727	0.4
763.39331	5.3
763.52997	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
62.79497	0.4
63.96225	1.2
64.43138	0.4
69.03455	0.7
70.84412	0.9
71.01377	8.7
73.02944	2.0
78.65475	0.4
78.95905	0.5
78.98587	6.1
79.95734	13.6
80.96512	80.0
81.03457	0.6
81.96889	0.4
83.01395	0.4
85.02957	3.5
87.00866	3.0
94.83808	0.3
94.98080	18.5
95.01390	0.6
96.95989	1.6
97.02926	2.1
99.00880	1.0
99.04516	0.4
101.02436	2.5
106.98076	3.4
122.97583	3.9
125.02423	3.2
127.04002	0.6
128.39426	0.4
134.96628	0.6
134.97569	5.1
136.99136	1.5
148.99135	7.2
152.98633	5.4
164.17799	0.4
164.98621	13.2
167.00200	0.8
206.99701	3.4
207.10257	1.3
225.00720	24.4
225.11276	0.9
226.01120	0.6
255.23186	2.1
283.04883	0.6
299.04251	0.4
507.15283	3.7
508.15411	0.5
537.27448	1.8
763.39343	100.0
764.39746	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	15.1
61.98819	2.8
64.41223	1.0
68.76795	0.9
69.92474	4.9
72.40523	1.0
78.95489	1.6
78.95911	24.3
80.02673	1.4
80.96542	1.1
81.03442	2.1
81.17406	1.0
83.01382	2.1
83.05011	5.9
96.96991	1.2
98.20634	2.1
125.09653	1.6
152.99562	3.2
163.11295	6.4
165.12813	3.6
168.04324	5.7
181.12276	1.7
191.10759	3.0
209.11816	81.6
210.12155	5.3
223.13470	2.3
224.06917	5.6
226.12132	1.7
227.12860	15.1
228.13022	1.1
241.12607	0.9
241.14490	11.2
255.23268	66.3
256.23654	6.5
275.13437	1.0
277.21783	1.2
480.30954	4.3
619.35529	1.7
645.37885	1.5
690.43481	100.0
691.43781	20.1
704.44733	9.7
705.44977	1.6
765.40027	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	765.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.2
60.99303	17.3
61.98818	0.7
69.94559	0.8
75.73175	0.2
87.00848	0.9
88.00403	1.5
88.98801	100.0
89.02438	7.8
89.03003	0.3
89.99139	0.9
97.88374	0.2
125.86904	0.1
191.86600	0.1
210.92856	0.2
259.80957	0.1
277.21793	0.3
282.97406	0.2
397.13510	0.7
415.14297	0.2
441.53687	0.2
446.59213	0.2
467.93555	0.2
592.00201	0.2
784.77576	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.3
60.99303	17.6
61.98820	0.7
68.18990	0.1
71.01372	0.3
71.47256	0.1
87.00875	1.2
88.00400	2.0
88.01215	0.1
88.29736	0.1
88.98801	100.0
89.02435	11.3
89.99122	1.1
90.02766	0.1
94.77359	0.2
208.74619	0.1
211.13460	0.1
246.00278	0.1
256.68082	0.2
265.70615	0.1
277.21643	0.4
312.62961	0.1
397.13547	0.8
415.14511	0.3
422.25916	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
61.98823	1.9
63.96236	1.9
69.03442	0.8
70.34739	1.0
71.01379	8.9
73.02937	2.0
78.98582	5.7
79.95731	13.9
80.96515	76.6
81.03450	0.8
82.96109	0.9
82.96961	0.4
87.00867	2.7
94.98083	18.1
96.95985	1.3
97.02943	1.7
98.20443	0.7
99.00887	0.8
101.02419	2.6
106.98075	3.3
111.90221	0.4
113.02438	0.5
122.97598	3.2
125.02453	3.2
127.03996	1.1
133.63025	0.4
134.97574	5.8
135.79880	0.4
136.99121	1.8
148.04417	0.5
148.99120	7.5
152.98621	6.8
164.98622	13.9
165.98990	0.5
172.66835	0.4
186.33867	0.4
188.98645	0.7
206.99680	3.1
209.11806	23.5
210.12117	1.6
225.00732	22.6
226.01003	1.2
235.08200	0.8
253.09352	1.5
255.23351	1.2
277.21710	17.1
278.22012	1.6
436.45032	0.5
472.02893	0.5
509.16846	3.6
537.27258	1.4
544.89923	0.5
765.40912	100.0
766.41229	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	766.35
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49968	0.1
59.01376	0.3
61.98829	100.0
71.52233	0.2
72.99308	1.9
74.42410	0.1
88.98862	0.2
96.96030	0.5
98.41408	0.2
99.00842	0.2
109.02937	0.3
119.05012	0.2
121.02954	0.2
123.04500	0.3
133.02966	0.8
135.04546	0.8
145.02968	0.3
149.02434	0.9
150.03247	0.5
159.04547	0.3
161.02440	3.7
178.02762	0.3
179.03525	0.4
187.07629	0.8
209.11810	0.2
213.09154	0.3
219.10242	0.5
231.10280	0.5
267.06644	0.5
275.09387	0.5
293.10437	1.8
311.05676	0.8
453.11963	0.2
455.13519	2.9
473.64362	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63680	0.1
59.01381	0.3
59.84586	0.2
60.99305	16.0
61.99630	0.2
65.07159	0.1
69.37359	0.4
69.37788	0.6
75.28114	0.1
75.56466	0.1
87.00880	0.6
88.00410	1.3
88.98805	100.0
89.02444	3.8
89.99138	1.0
118.32030	0.1
135.04457	0.2
161.04567	0.1
168.37671	0.1
203.26743	0.1
519.51404	0.2
677.49768	0.9
678.49933	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00567	0.1
59.01379	0.2
60.43024	0.1
61.98827	100.0
62.98542	0.1
62.99253	0.1
65.68214	0.1
69.21803	0.7
71.01402	0.1
74.91108	0.1
79.95709	0.1
80.96525	0.2
93.03477	0.1
96.96013	0.7
97.02950	0.1
98.64855	0.1
99.92554	0.1
109.02832	0.1
111.95033	0.1
116.92858	0.1
123.04543	0.1
134.94415	0.1
135.04584	0.2
145.02966	0.2
161.02423	0.2
179.03488	0.1
209.11833	0.3
210.12135	0.1
291.19873	0.1
309.20761	0.2
310.21066	0.2
397.13467	0.1
415.14642	0.1
724.77679	0.1
768.32440	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3316
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.8
59.01376	2.5
61.98829	54.8
62.65998	0.5
63.96223	2.1
64.84382	0.5
69.57304	3.7
71.01385	8.8
72.99307	1.0
73.02948	2.1
78.95903	2.2
78.98601	6.0
79.95728	16.0
80.96513	82.6
81.03459	0.9
83.05028	0.8
85.02945	3.7
87.00867	3.1
88.98846	1.1
94.98079	19.0
95.01352	1.0
96.95997	8.1
97.02940	2.5
99.00864	1.2
101.02444	2.2
106.98092	3.9
113.02441	1.0
116.92834	0.7
122.97600	3.7
125.02430	3.6
125.09715	0.6
127.04029	1.0
127.37666	0.6
133.50607	0.6
134.97578	6.1
135.04518	1.2
136.72334	0.6
136.99101	1.6
148.99109	7.1
152.98601	7.1
152.99622	0.9
153.05577	0.6
157.55853	0.5
161.02448	1.2
163.03964	0.6
163.11192	0.7
164.98616	15.8
165.12817	0.9
173.04512	0.8
179.03496	1.1
206.99724	3.9
209.11816	11.8
210.12065	2.9
225.00722	26.3
227.12828	0.9
241.14587	1.3
242.14745	0.9
283.04709	0.7
289.14020	0.6
334.29501	0.6
368.57352	0.6
397.16898	1.7
509.16971	3.0
541.19629	2.0
574.24164	0.7
591.25146	0.7
592.26141	1.4
677.35309	1.9
695.36053	0.9
696.37677	0.6
737.31122	0.7
769.33105	100.0
770.33557	24.0
770.47778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39251	0.2
61.98828	1.9
63.22110	0.2
63.38600	0.2
70.58324	0.5
70.58659	0.5
71.01379	0.5
78.95905	6.9
79.95731	3.3
94.98065	0.6
96.96011	100.0
96.96922	10.4
97.95937	0.3
98.02455	0.3
98.90718	0.3
114.02710	0.3
139.43434	0.3
171.10246	0.7
187.39400	0.2
201.11636	0.3
293.21170	0.3
713.30853	0.3
773.43457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21818	0.3
61.98822	1.6
69.25745	3.1
73.01199	0.3
78.74419	0.4
78.95908	5.8
79.95737	3.9
96.96008	100.0
96.96908	7.4
98.19917	0.6
125.03674	0.4
137.93298	0.3
141.84891	0.4
145.86902	0.4
147.15001	0.4
185.25905	0.4
412.93042	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.2
61.98821	0.3
65.75292	0.1
70.89377	0.1
71.01342	0.1
72.99296	0.1
73.35130	0.1
78.95905	5.8
79.95739	3.0
79.96208	0.1
94.98095	0.1
96.96014	100.0
96.96909	7.6
97.95946	0.3
115.32402	0.1
140.49055	0.1
156.88918	0.1
161.02496	0.1
173.04533	0.1
191.05690	0.1
216.71588	0.1
230.11182	0.1
374.23370	0.1
585.84930	0.1
775.47180	0.5
775.59747	0.1
776.48163	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98539	0.2
65.02631	0.1
70.33981	0.3
83.98724	0.1
94.98086	0.1
106.82063	0.1
116.36772	0.1
116.75556	0.1
120.99133	0.1
127.43843	0.1
128.71677	0.1
144.19223	0.1
158.79829	0.1
170.43962	0.1
236.70496	0.1
307.77942	0.1
384.71832	0.1
439.92023	0.1
506.90625	0.1
616.42212	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
71.01391	0.5
71.36992	0.5
71.37334	0.5
72.99300	0.3
73.32478	0.4
78.95901	50.1
89.02443	0.6
94.92505	0.5
96.92216	1.8
96.96049	9.2
96.96957	100.0
99.18958	0.4
150.20961	0.4
157.66335	0.4
268.60992	0.4
311.44080	0.4
329.69446	0.4
341.10806	1.7
439.08536	33.2
440.09009	2.5
506.66293	0.5
690.89929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	1.0
63.96245	2.3
69.03440	0.9
69.50054	0.9
69.50468	2.0
71.01378	8.9
71.12146	0.4
73.02937	1.9
78.95906	2.0
78.98593	6.6
79.95346	0.4
79.95734	13.7
80.96515	78.0
81.03448	1.1
82.96104	2.0
85.02943	2.7
87.00883	3.6
94.98082	16.7
96.96018	1.1
97.02953	1.4
99.00889	0.7
101.02415	2.3
106.98082	2.7
116.92848	1.3
122.97583	3.8
125.02449	4.0
127.04056	0.9
134.97580	5.6
136.99132	1.9
148.99126	7.5
150.67523	0.4
152.98608	6.0
152.99654	0.4
164.98613	13.3
188.98610	0.7
199.09831	0.4
206.99611	3.0
207.10266	0.5
209.11804	1.8
225.00735	27.3
225.14708	0.5
226.01031	1.3
227.00378	0.8
241.01266	0.6
255.23315	2.7
256.23572	0.6
283.04880	0.7
332.84433	0.5
481.13489	1.3
525.16760	2.4
537.27289	1.6
616.72559	0.5
680.18024	0.5
737.37799	1.5
763.39471	4.1
764.40607	0.6
781.40356	100.0
782.40674	21.7
804.96259	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
57.03442	0.3
58.00583	0.3
59.01374	9.7
61.98827	4.1
66.71597	0.3
71.01370	4.7
71.05017	0.6
72.99296	0.5
73.02951	1.3
78.95897	0.6
78.98577	0.8
79.95720	1.5
80.96513	9.3
83.01386	0.7
85.02949	1.0
87.00873	1.2
89.02448	1.2
94.98078	1.8
95.01418	0.3
95.30560	0.3
97.02945	3.6
97.06571	0.7
99.00876	5.8
101.02425	2.9
106.98060	0.8
109.03024	0.3
109.06575	0.6
110.03716	0.8
113.02457	1.8
119.03510	0.5
122.97588	0.5
123.08158	0.3
125.02468	0.8
125.09715	2.3
134.97571	0.5
135.08112	0.5
136.05278	0.6
142.02742	1.4
148.99113	0.9
151.04028	0.7
152.98598	0.8
161.02419	0.5
161.04530	1.0
161.09642	0.4
163.11287	3.9
164.98648	1.7
181.12340	7.6
197.11815	0.5
199.13396	0.6
206.99698	0.4
207.10239	24.0
208.08771	0.3
208.10583	1.4
225.00729	3.0
225.11301	52.8
226.11598	3.2
235.08217	2.8
243.12331	6.3
253.09242	2.9
255.23219	0.5
259.20499	0.5
267.12354	0.6
277.21692	100.0
278.18976	0.4
278.22028	8.9
299.14874	0.3
309.13684	0.3
328.14301	0.3
345.15598	0.5
405.17926	0.7
428.88950	0.3
443.19156	5.0
444.19376	0.9
461.20209	6.0
462.20349	0.5
513.30499	0.8
550.06213	0.3
569.34143	0.3
577.37640	0.8
721.41608	23.8
722.41840	5.4
724.59821	0.3
781.40454	11.2
782.40729	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	781.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.3
59.63322	0.4
61.98829	6.1
62.82441	0.3
67.61896	0.4
69.03449	1.0
70.53721	1.2
70.54095	0.5
71.01373	5.5
71.05017	0.7
73.02956	1.2
78.95918	1.0
78.98592	0.7
79.95728	1.6
80.96513	7.1
81.03440	0.5
83.01389	1.0
85.02956	1.3
87.00870	1.5
89.02445	2.1
93.09309	0.4
93.76359	0.4
94.98091	1.5
95.01393	0.5
97.02947	5.8
97.06599	0.8
99.00879	9.6
101.02448	3.8
109.06564	1.2
110.03703	1.2
113.02425	1.7
119.03521	0.5
123.04552	0.8
125.02474	1.0
125.09730	2.7
135.08150	1.0
136.05243	1.0
142.02753	2.2
143.03520	0.9
148.99113	0.8
152.98570	0.8
161.04556	1.4
161.09657	0.6
163.11304	6.2
164.98615	1.3
179.10619	0.5
181.12340	15.2
181.13957	0.8
182.12677	0.9
182.94440	0.4
189.09172	0.5
197.11768	0.6
199.13341	0.9
206.99664	0.6
207.10242	45.1
208.10603	3.1
225.00772	2.5
225.11302	100.0
226.11679	5.7
235.08180	1.7
243.12357	11.0
244.12712	0.9
253.09233	3.4
255.23210	0.8
277.21698	95.6
278.22052	8.3
299.14731	0.5
317.16037	1.2
430.00134	0.4
443.19302	4.3
444.19931	0.6
450.97720	0.5
461.20245	48.3
462.20694	5.2
479.54272	0.5
577.37433	0.7
650.12323	0.4
721.41626	33.1
722.42102	7.5
781.40509	8.4
782.40527	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	782.4821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	5.5
61.98833	8.8
67.53877	1.8
71.01353	2.3
71.52093	2.4
78.95903	66.4
80.96533	3.6
83.05019	3.6
96.96974	3.5
101.47527	2.2
125.00105	11.2
125.09699	3.5
127.11272	4.0
134.98540	2.1
152.99559	20.6
155.10730	2.7
163.11278	3.0
165.12819	2.0
168.04279	4.1
171.10329	2.7
201.11314	48.3
202.11658	2.5
209.11818	37.2
210.12122	2.4
215.12842	38.1
224.06923	4.4
226.11943	2.1
227.12833	5.3
241.14525	12.4
255.23271	100.0
256.23624	8.6
277.21756	8.4
376.44012	2.1
391.22513	2.6
419.25534	4.6
480.30753	3.7
593.34570	44.6
594.34711	7.2
619.36096	15.5
620.36493	3.4
645.36847	2.2
664.65698	2.5
678.43488	28.0
679.43866	8.7
690.43536	3.4
704.45215	17.5
705.45496	3.7
708.44531	38.6
709.44916	5.3
782.41217	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	784.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03391	0.1
59.01378	0.2
61.98829	100.0
63.96246	0.2
70.82653	0.3
71.01386	1.0
73.02966	0.3
78.33955	0.1
78.95895	0.2
78.98592	0.8
79.95725	1.7
80.96514	9.3
81.96436	0.2
82.96117	0.4
85.02948	0.4
87.00890	0.5
94.98094	2.3
96.95984	0.1
96.97643	0.2
97.02954	0.4
98.58166	0.1
99.00867	0.2
101.02456	0.4
106.98080	0.3
107.88264	0.1
122.97559	0.6
125.02438	0.4
127.45017	0.1
134.97552	0.6
136.99142	0.2
148.99132	0.6
149.99448	0.2
152.98630	0.7
152.99670	0.2
163.11345	0.1
164.98653	1.3
165.98915	0.2
206.99669	0.4
209.11833	2.1
210.12169	0.9
225.00726	2.1
225.11356	0.2
226.01047	0.4
227.12857	0.2
228.13228	0.2
253.09331	0.2
277.21625	1.2
278.22037	1.1
321.93100	0.1
347.42435	0.2
484.15750	0.2
740.39697	0.3
783.41925	0.3
784.42316	10.6
785.42188	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	784.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48641	0.1
59.01373	0.3
61.98827	100.0
63.96227	0.2
70.82721	0.2
71.01377	0.8
72.01735	0.1
73.02950	0.2
78.95908	0.2
78.98598	0.7
79.95731	1.7
80.96513	8.4
81.96490	0.2
82.96088	0.6
85.02969	0.2
87.00860	0.3
87.21674	0.1
94.98081	1.9
95.01344	0.1
96.34795	0.1
96.95918	0.1
97.02947	0.3
101.02448	0.3
106.98090	0.4
116.92910	0.3
122.97575	0.3
125.02457	0.3
134.97577	0.6
136.99149	0.1
147.85829	0.1
148.99126	0.7
152.98622	0.7
152.99683	0.1
157.44670	0.1
164.98610	1.5
165.98926	0.2
201.11351	0.2
206.99606	0.3
208.00024	0.1
209.11833	0.5
210.12065	0.3
210.44604	0.1
225.00713	2.6
226.01003	0.6
227.00229	0.1
277.21677	0.8
278.22040	0.6
279.22919	0.2
484.15649	0.1
528.18567	0.1
538.27441	0.1
724.42786	0.2
740.39282	0.6
766.41254	0.2
783.42078	0.6
784.42236	11.7
785.41809	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	786.4282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19178	0.1
60.12799	0.1
61.98829	100.0
62.98536	0.2
70.71371	0.2
74.59513	0.1
78.53023	0.1
78.95914	0.3
78.98612	0.2
79.73213	0.1
80.96520	0.4
94.98107	0.1
124.13068	0.1
148.99342	0.1
156.25446	0.1
164.98517	0.1
174.77090	0.1
209.11887	0.3
244.33441	0.1
276.18741	0.1
277.21780	0.2
278.22205	0.1
779.86517	0.1
786.50531	0.2
787.38373	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
60.91813	0.1
61.98832	0.6
65.25832	0.1
73.02945	7.5
75.00860	0.3
99.00864	1.5
99.92581	11.1
100.92588	0.6
108.61247	0.1
114.93420	0.4
115.00414	0.2
116.03569	0.1
116.92859	100.0
116.97172	0.6
117.01933	12.8
117.92861	5.1
118.02269	0.2
124.85657	0.1
150.73012	0.1
192.67700	0.1
227.90434	0.1
235.18956	0.1
240.45917	0.1
376.59283	0.1
379.56882	0.1
423.69727	0.1
779.28918	0.2
793.51849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05901	0.1
59.01386	0.2
61.98820	0.6
69.42059	1.1
71.14926	0.1
73.02943	5.2
75.00877	0.2
78.95928	0.1
79.55641	0.1
80.96523	0.3
98.20606	0.2
99.00871	1.0
99.92581	10.3
100.92587	0.4
114.93408	0.4
116.03572	0.2
116.92857	100.0
116.97169	0.8
117.01937	9.4
117.92012	0.3
117.92866	5.4
132.21786	0.1
239.18053	0.2
383.92590	0.1
431.08093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98813	3.3
69.63770	1.4
71.01414	1.8
78.95903	60.8
79.95746	2.9
80.96519	14.0
82.60330	1.5
82.96124	1.6
85.02972	1.6
86.85244	1.5
89.43501	1.5
94.98080	3.5
96.96986	5.6
99.08186	4.9
101.02510	1.8
115.17591	1.3
122.91553	1.5
127.11352	3.1
134.97563	1.8
138.49252	1.2
139.11307	6.6
143.24989	1.5
152.99583	67.4
164.98634	2.8
171.00615	7.2
171.10258	25.5
183.13968	3.4
196.89580	1.9
211.13380	19.1
212.52031	1.4
225.00876	4.8
227.03296	5.4
229.14386	13.2
230.14886	1.5
253.21693	10.2
255.23444	3.7
293.21429	1.8
329.23318	45.7
330.23804	4.0
465.16928	1.7
465.22540	6.7
539.26508	5.4
557.27234	48.2
558.28241	5.7
793.49542	100.0
794.49634	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46252	0.8
61.98841	1.2
63.96239	1.8
69.08398	0.7
71.01382	10.4
73.02959	2.2
78.95909	1.0
78.98588	8.1
79.95732	15.6
80.96515	100.0
85.02944	4.1
87.00853	3.7
94.98077	21.6
95.01402	0.8
96.96014	1.2
97.02942	1.7
97.98384	0.7
98.14034	0.8
101.02442	2.5
106.98097	3.4
122.97592	3.3
125.02459	2.6
127.03994	1.4
134.97592	6.1
136.99153	2.2
148.99146	7.6
152.98619	8.4
164.98634	16.4
206.99695	3.1
209.11752	1.9
222.64903	0.7
225.00725	27.6
226.01093	1.4
255.23271	3.0
421.94363	0.9
448.77591	0.8
537.27283	2.1
541.19617	4.2
797.43524	97.0
798.43872	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
63.02510	0.1
70.75220	0.3
74.78324	0.1
78.95897	0.2
86.24093	0.1
123.87547	0.1
130.75963	0.1
147.61192	0.1
152.99622	0.2
157.08385	0.1
223.13364	0.2
224.13776	0.1
225.11382	0.1
277.21741	0.3
294.21494	0.2
390.93848	0.1
504.65805	0.1
627.45074	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	799.4197
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
59.01373	1.0
61.98834	8.9
63.96226	1.6
70.74324	2.0
71.01386	7.2
73.02953	1.7
78.95902	34.1
78.98582	4.9
79.95739	11.6
80.96516	67.8
81.03465	1.4
82.96087	0.8
83.05029	2.3
85.02955	2.5
87.00880	3.4
88.98763	0.8
94.98083	13.9
96.96003	1.3
96.96966	8.4
97.02921	1.9
101.02429	2.2
106.98064	2.7
109.33565	0.8
122.97552	2.8
125.02439	2.5
125.09723	2.0
127.04014	1.0
127.11281	2.3
129.32254	0.7
134.97610	4.4
136.99106	1.6
148.99139	5.6
150.67369	0.7
152.98552	5.4
152.99701	5.8
163.11302	1.7
164.98621	11.5
171.10199	2.3
199.09785	0.8
201.11324	24.0
202.11665	1.3
206.99680	2.7
209.09892	1.4
209.11816	23.9
210.12079	1.6
223.00128	1.9
224.98697	1.5
225.00743	20.7
227.12811	2.4
235.71774	0.7
241.01199	16.9
245.13747	1.1
255.23293	21.0
256.23669	1.6
259.02234	1.5
277.21643	0.9
453.13940	1.0
525.16217	1.7
527.96875	0.8
537.27362	1.3
603.65021	0.7
709.25830	1.4
709.38354	32.7
710.38440	6.3
781.40430	11.7
782.41229	3.6
799.41974	100.0
800.42340	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	802.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
58.44636	0.2
60.14274	0.2
61.98828	100.0
62.98552	0.2
71.40681	0.2
71.52825	0.2
78.95921	0.4
80.96512	0.6
85.16528	0.2
107.31246	0.2
108.92645	0.2
123.35222	0.1
126.66335	0.2
152.99635	0.3
184.66780	0.2
209.11777	0.2
277.21652	0.2
279.23383	0.2
302.20822	0.2
357.10526	0.2
476.27774	0.2
612.98682	0.2
655.12207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
62.98521	0.1
64.24656	0.1
71.52665	0.1
80.96530	0.4
85.69064	0.1
121.28552	0.1
159.07761	0.1
202.90405	0.1
277.21677	0.1
455.13278	0.1
470.77554	0.1
548.54828	0.1
795.07593	0.1
802.38531	0.2
803.39581	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98094	0.1
57.03438	0.2
58.00586	0.1
59.01374	2.8
59.13115	0.1
61.98825	0.7
69.03464	0.3
71.01374	2.2
71.05000	0.1
72.99315	0.2
73.02930	0.4
73.98177	0.1
75.41541	0.1
79.95734	0.2
80.94635	0.1
80.96519	0.6
83.01388	0.2
83.05031	0.2
85.02948	0.6
86.02673	0.1
87.00416	0.1
87.00858	0.5
87.04489	0.1
89.02438	2.2
94.98096	0.1
95.01375	0.2
95.05053	0.2
96.95997	0.1
97.06570	0.2
99.00906	0.1
101.02436	2.6
103.64789	0.1
109.06559	0.1
111.08161	0.4
113.02440	1.1
113.09704	0.2
119.03509	0.5
125.02499	0.1
135.11794	0.1
135.98663	0.1
141.09210	0.1
143.03505	0.2
145.05038	0.1
148.07735	0.1
148.99182	0.1
161.04541	1.4
164.98611	0.1
167.10796	0.4
171.10262	0.2
177.12849	0.3
179.05565	0.3
179.10631	0.1
179.14423	0.9
181.12309	0.2
195.13889	8.7
196.14406	0.7
197.15233	0.1
205.12311	0.7
205.15952	0.5
211.13434	0.5
223.13373	5.2
224.13837	0.4
225.00737	0.2
225.15068	0.2
228.13634	0.9
231.21104	0.5
235.08200	1.0
239.12926	0.2
249.22185	0.2
253.09265	17.1
254.09621	0.7
256.13199	1.1
257.18884	0.1
265.21722	0.4
275.20139	5.9
276.20364	0.6
293.21204	100.0
294.21536	8.6
398.18149	0.1
492.22067	0.4
529.30096	1.4
530.30591	0.2
544.49915	0.1
569.42047	1.6
570.42365	0.4
767.73682	0.1
805.40448	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.8
61.77293	0.2
63.30262	0.2
69.19388	1.8
74.38703	0.2
78.95898	5.5
83.05000	0.2
86.06337	0.2
95.05039	0.3
97.06587	0.4
125.06038	0.2
127.07607	0.3
148.08914	1.3
150.10501	1.0
151.11285	0.5
152.99573	1.3
163.11348	0.9
165.12837	20.6
166.13158	0.8
168.04283	0.9
175.11250	0.6
176.12021	0.5
177.12840	0.5
189.12820	0.2
191.14417	0.7
193.12297	0.3
217.15947	0.6
224.06950	0.5
225.96263	0.2
232.31303	0.2
233.22874	0.3
242.07953	2.1
247.20651	10.8
248.21046	0.7
259.20569	0.3
273.18567	6.2
274.18829	0.6
275.20126	0.4
277.21695	63.1
278.22021	5.4
291.19635	100.0
292.19974	8.7
427.30722	0.2
502.29364	38.8
503.29733	4.2
528.65070	0.2
575.92322	0.3
736.31598	0.2
749.43970	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.2294
Annotation	Smilaside G
Peak:m/z	Relative Intensity
59.01372	0.8
60.76257	0.2
61.98825	0.9
71.01372	1.2
72.99318	0.4
85.02944	0.5
87.00867	0.4
89.02424	0.4
89.03975	0.5
93.03462	0.8
96.96009	0.6
99.00902	0.2
101.02448	0.7
109.02983	0.5
109.36481	0.2
113.02434	0.9
116.92882	0.4
117.03461	43.9
118.03774	1.4
119.05027	6.4
121.02989	0.3
132.02191	1.1
133.02922	0.8
134.03725	5.1
135.04556	1.3
137.02423	0.4
145.02948	100.0
146.03296	4.4
147.04506	0.3
149.06091	1.2
159.04546	0.4
160.01645	5.1
161.02437	1.7
163.03990	4.0
171.10226	0.4
173.04530	0.8
175.03992	6.0
176.04384	0.3
178.02728	0.7
179.03493	1.2
187.04002	0.5
190.90454	0.2
191.05580	0.3
191.07146	0.3
193.05042	4.4
201.11365	1.2
209.11905	1.1
217.05118	0.4
227.12936	0.2
228.61067	0.2
265.07230	0.5
267.06339	0.3
283.80682	0.2
307.08264	0.3
319.07986	0.3
397.13681	0.3
443.65616	0.2
483.13043	0.3
487.15399	0.3
493.88998	0.3
499.14474	1.0
517.15619	0.9
633.18127	0.6
645.18158	4.6
646.18811	0.7
663.19244	9.3
664.19843	1.5
809.22876	15.1
810.23004	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	809.4977
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98814	81.9
71.26304	100.0
78.05956	46.8
90.97263	32.6
113.20086	38.6
117.54105	43.7
119.67799	38.5
277.21851	49.0
641.24561	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.5
58.85060	0.1
59.01375	1.0
61.98816	0.3
70.71728	0.1
71.01382	0.2
71.53185	0.2
78.95898	0.2
81.56805	0.1
82.40986	0.1
83.05009	0.2
84.74418	0.1
85.04066	0.1
92.14900	0.1
97.06561	0.1
99.08210	0.2
101.02449	0.1
113.09719	1.1
138.52458	0.1
169.12349	0.1
171.10226	0.1
177.12837	0.4
179.14371	0.7
181.12289	0.3
195.13890	14.0
196.14240	0.8
208.64268	0.1
233.22827	0.3
251.23729	0.3
253.09308	0.4
259.20441	0.1
277.21704	15.6
278.22064	1.3
295.22754	100.0
296.23099	8.5
298.35800	0.1
445.96072	0.2
553.64874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
60.18584	1.1
61.98811	1.1
66.52207	1.4
71.01376	6.1
76.49934	1.1
78.95899	3.2
78.98573	6.5
79.95737	13.0
80.96512	78.9
81.98517	1.0
82.96101	1.6
85.02937	3.2
87.00851	3.2
94.98083	19.3
98.20737	2.7
106.98064	2.1
122.97523	2.7
125.02413	1.8
134.97566	4.6
136.99147	2.2
138.06680	1.1
148.99141	6.7
152.98630	5.9
164.98627	10.6
177.79092	1.2
180.70592	1.2
201.11342	1.8
206.99654	2.2
209.11766	2.2
225.00729	22.9
226.01131	1.7
228.97128	1.5
283.26447	2.3
483.15161	2.1
566.98346	1.2
767.42450	3.3
779.39526	1.7
811.44946	100.0
812.45239	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01377	100.0
60.01711	1.1
65.55968	0.2
70.33010	0.2
70.37118	0.9
71.01379	8.3
72.01721	0.3
72.99313	0.7
73.02937	2.5
83.01388	0.7
83.05048	0.4
85.02959	2.4
87.00911	0.7
89.02440	8.0
90.15716	0.2
93.03454	1.7
94.89213	0.3
95.01389	0.9
99.00916	0.3
99.04527	0.4
101.02441	5.0
101.03101	0.3
102.98621	0.3
109.02929	1.2
113.02429	3.5
116.72546	0.3
119.03492	2.4
119.05057	0.4
123.04553	0.3
123.08157	3.0
125.02435	0.5
130.31415	0.2
131.03500	0.4
137.09747	1.0
143.03510	0.8
145.02994	0.6
149.04553	0.5
159.04483	1.7
161.02475	0.3
161.04546	1.9
163.11282	3.0
171.11794	0.3
173.09778	0.4
179.05602	2.9
180.06010	0.3
187.03964	1.8
189.12831	4.7
189.14494	0.3
190.13120	0.2
203.05614	0.6
205.12323	0.5
207.13895	5.6
208.14275	0.4
209.11894	0.8
221.06592	0.3
225.14928	1.7
227.12936	0.3
239.07178	0.6
251.07030	0.6
251.39470	0.3
253.08754	1.8
297.07660	0.9
341.06744	5.6
341.10983	15.5
342.07230	0.7
342.11481	1.0
362.23450	0.3
369.18756	0.4
387.20151	1.9
397.13531	0.5
427.20261	0.3
429.21225	16.8
430.21634	2.1
431.19742	0.5
473.16776	0.5
796.03363	0.3
810.19373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.6
59.01380	0.9
59.60217	0.6
61.98832	1.1
63.96252	1.5
69.03455	0.7
69.35812	5.0
71.01379	9.5
72.34985	0.6
73.02939	1.9
78.95885	0.9
78.98584	8.8
79.95731	19.3
80.96513	100.0
81.03468	0.9
85.02943	3.2
87.00862	3.4
92.02333	0.6
94.98081	21.3
96.96007	1.4
97.02936	1.9
99.00884	1.0
101.02431	3.3
106.98103	3.1
115.04041	0.7
122.97578	3.6
125.02478	3.3
127.03963	0.8
134.97577	5.6
136.99144	2.0
145.37198	0.6
148.99129	7.8
150.88620	0.6
151.25810	0.6
152.98595	7.6
152.99547	0.6
164.98613	13.7
170.05440	0.6
185.22388	0.6
206.99660	3.0
216.65839	0.7
225.00720	20.2
226.01021	1.0
255.23225	1.8
277.21695	1.0
425.26236	0.6
537.27710	1.2
559.25610	1.9
815.49799	94.3
816.50165	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08590	0.4
59.01377	1.4
63.96239	2.6
69.03437	0.9
69.34055	3.2
71.01376	9.6
72.99291	0.4
73.02952	2.6
78.42056	0.3
78.95882	0.5
78.98592	7.6
79.95732	16.4
80.96515	98.2
81.03448	1.0
83.01430	0.4
85.02946	3.8
87.00860	3.3
94.98084	20.7
96.96005	2.2
97.02965	1.9
98.19846	0.7
99.00905	1.1
99.04518	0.6
101.02415	3.0
106.98084	4.3
113.02437	0.5
122.97580	4.6
125.02440	3.4
127.03986	1.1
129.81067	0.4
134.97583	6.8
136.99167	2.2
142.68188	0.4
143.03560	0.4
143.53673	0.4
148.99138	7.8
152.98611	7.1
164.98619	15.3
188.98610	0.6
206.99712	2.9
211.90785	0.4
225.00723	19.4
226.00957	0.5
243.01823	0.5
255.23334	2.2
257.05450	0.5
277.21765	1.4
279.23322	0.7
283.04822	0.5
506.65228	0.4
537.27399	1.6
559.25757	2.1
815.49786	100.0
816.50146	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4544
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.70743	0.2
62.91619	0.2
67.91146	0.2
69.68076	0.2
74.94914	0.1
80.96525	0.9
94.98109	0.3
96.96035	0.2
133.48456	0.2
165.98270	0.2
209.11949	0.3
225.00801	0.5
265.75146	0.2
277.21957	0.2
293.20743	0.2
356.96817	0.2
357.17584	0.2
383.64233	0.2
413.09631	0.2
577.34003	0.2
806.85144	0.2
819.42133	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	819.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.2
61.98820	0.7
63.68177	0.3
69.58437	1.7
71.01390	0.8
72.99308	0.4
85.30674	0.3
93.03453	0.8
94.13251	0.3
96.96024	1.7
101.02479	0.4
105.01908	0.5
107.04963	0.5
108.02174	0.7
109.02946	3.2
121.02972	1.2
123.04532	0.3
133.02957	6.8
134.03764	1.9
135.04521	77.5
136.04845	2.9
138.64084	0.3
145.02959	0.7
149.02428	5.3
150.03265	2.1
152.01169	1.2
159.04500	0.4
161.02432	26.2
162.02782	1.4
171.10107	0.5
173.04584	0.4
179.03491	100.0
180.03813	4.5
191.05536	0.4
201.01833	0.5
202.02763	0.4
209.11826	1.5
211.07593	0.6
211.13423	0.7
237.05467	0.6
239.07144	0.9
243.06673	1.1
249.05502	0.7
250.06374	0.9
266.05878	0.5
267.06595	18.0
268.06995	1.3
283.06036	1.6
293.04483	0.4
297.07596	0.9
311.05591	28.5
312.05875	2.1
313.06998	0.5
327.21533	0.5
341.06625	11.5
341.10699	0.7
342.06931	0.9
397.13443	0.5
447.10776	0.5
491.09860	7.4
492.09775	0.7
731.54541	0.4
819.39496	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
62.98536	0.3
71.01375	0.2
78.95931	0.2
78.96461	0.2
80.96501	0.3
87.86861	0.2
90.51538	0.2
109.47034	0.2
181.66414	0.2
212.63849	0.2
260.08398	0.1
269.97208	0.2
278.95041	0.2
293.21265	0.3
330.39130	0.2
331.09494	0.2
635.65582	0.2
723.65472	0.2
731.36682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00573	1.2
59.01376	19.5
61.98829	5.3
67.25657	0.9
69.03441	3.9
71.01380	20.4
72.99288	2.2
73.02941	3.0
78.95898	1.5
80.96512	9.2
83.01380	3.1
83.05006	2.0
85.02950	13.0
87.00878	3.5
89.02443	13.9
94.98078	1.8
95.01392	1.7
95.05009	2.0
96.95983	1.3
97.02942	4.1
97.06594	11.8
98.20660	2.4
101.02448	13.7
113.02449	6.6
118.54668	1.0
119.03460	2.7
119.05870	1.0
123.08161	7.9
125.02414	4.6
125.09719	58.3
126.10088	1.3
137.09677	1.8
142.36151	1.0
143.03497	2.1
152.98557	1.3
161.04547	3.1
164.98584	1.7
169.08611	1.5
171.10265	30.5
179.05583	2.5
183.13901	1.7
187.09747	32.3
201.11221	2.2
209.11838	1.5
211.13396	8.4
212.13657	1.2
221.11853	2.0
225.00816	1.9
229.14465	8.8
235.08270	6.6
253.09251	26.2
255.23282	30.9
256.23599	2.8
257.13904	1.1
277.21710	66.9
278.22086	5.7
291.19577	5.1
293.21225	3.8
309.20642	22.1
310.21198	2.0
311.22232	4.1
327.21747	81.3
328.22012	7.0
348.59610	1.0
397.13419	2.5
437.88089	1.0
513.97766	1.1
545.29706	3.2
563.30518	4.4
585.23285	1.1
587.43146	2.1
733.38458	8.3
734.39172	1.9
823.46912	100.0
824.47321	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	824.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52634	1.3
59.01368	4.2
67.64485	1.1
70.11171	5.7
71.01420	1.5
71.57681	1.1
73.32214	1.3
78.95905	8.2
80.02676	1.3
81.03446	5.3
83.01398	8.6
83.05004	3.9
95.05039	3.5
97.02948	3.2
97.06575	6.3
109.06573	2.5
119.08703	1.4
121.06503	2.0
123.04538	7.9
123.08121	3.6
125.09713	16.5
135.08078	3.0
137.06038	2.0
137.09700	7.0
147.11859	1.4
149.09641	2.1
152.99554	2.5
159.07971	1.5
163.11267	15.9
165.12788	3.9
168.04242	2.5
177.12750	1.4
179.10757	1.9
181.12344	2.7
185.11819	12.3
191.10794	4.6
191.14391	13.9
207.10248	8.3
209.11809	76.0
210.12103	4.5
217.15904	2.4
225.11313	6.9
240.73953	1.4
242.07985	1.5
243.17365	1.5
245.19064	28.4
246.19455	2.5
247.16992	1.7
260.52734	1.3
263.20157	6.3
271.17029	3.0
277.21710	89.8
278.21985	7.3
289.18082	100.0
290.18311	7.1
307.19128	95.9
307.21921	0.9
308.19452	10.1
412.33344	1.3
502.29440	44.8
503.29486	5.7
546.52380	1.3
654.54126	1.7
758.22412	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	829.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	0.7
58.12260	0.3
59.01376	100.0
60.01708	1.0
62.19823	0.3
69.03463	1.1
71.01377	31.6
71.52168	0.5
72.01739	0.7
72.99287	1.7
73.02940	39.7
73.74576	0.3
74.03281	0.4
74.59159	0.4
81.03434	0.4
83.01381	12.0
84.20649	0.3
85.02956	4.7
85.97881	0.3
87.00881	0.8
88.98788	0.3
89.02439	7.3
95.01411	1.6
97.02963	0.5
99.00887	0.6
99.04559	0.3
101.02437	39.6
102.02807	0.7
113.02448	16.0
114.38149	0.3
119.03490	6.0
121.79189	0.4
122.46082	0.3
125.02473	1.4
131.03496	4.4
131.07175	0.7
135.04562	0.4
143.03490	5.4
147.03030	0.5
149.04544	12.7
149.05702	0.8
155.03539	1.3
160.01698	0.4
161.04549	21.9
162.04938	0.7
167.03601	0.5
173.04613	0.4
175.03998	0.7
185.68127	0.4
203.05606	2.5
221.06641	16.0
221.11804	0.6
222.07059	1.0
240.50545	0.3
269.10382	2.0
311.11206	2.1
369.19302	1.0
387.20212	0.7
390.52597	0.4
399.16669	1.3
429.21323	4.0
479.12524	0.4
578.98846	0.5
829.25708	0.5
830.25189	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
70.79259	0.5
71.01373	2.6
71.51635	1.0
73.02952	0.5
74.38523	0.6
78.95901	56.2
78.98576	1.4
79.95737	7.7
80.96516	20.0
85.02936	1.0
94.98079	4.8
96.48189	0.5
96.96960	13.1
97.02983	0.7
101.02391	0.8
106.98065	1.0
111.87057	0.6
122.97549	2.2
125.02421	0.9
134.97546	1.6
134.98529	1.4
146.59634	0.5
148.99094	2.1
152.98566	1.0
152.99585	14.5
164.70609	0.5
164.98648	2.9
206.99658	0.9
223.00128	5.6
225.00720	5.1
241.01187	21.7
255.23277	40.4
256.23587	2.9
257.81680	0.6
259.02216	1.2
277.21710	25.3
278.22025	2.3
283.04810	0.7
297.03745	1.6
315.04907	0.7
341.05579	0.8
381.16742	0.6
391.22583	4.2
409.23810	0.6
553.27930	4.2
571.28760	0.7
575.25690	1.1
632.21887	0.6
831.50031	100.0
832.50293	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	831.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.2
60.99295	0.1
70.03472	0.3
71.01377	0.2
73.02903	0.1
73.86634	0.1
84.61318	0.1
89.02440	0.2
96.30035	0.1
101.02430	0.2
113.02449	0.1
127.90775	0.1
130.87904	0.1
135.39267	0.1
141.82973	0.1
161.04590	0.1
198.71037	0.1
211.28021	0.1
235.08203	0.2
239.23598	0.1
253.09286	1.3
253.19656	0.2
255.21156	3.1
256.21606	0.2
273.22214	4.6
274.22681	0.3
277.21704	7.9
278.22189	0.5
291.23312	1.2
292.23666	0.1
299.20114	1.1
300.20435	0.1
315.72891	0.1
317.21176	100.0
318.21515	9.1
513.30920	0.3
611.21552	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	833.5186
Annotation	Phosphatidylinositol(34:2)
Peak:m/z	Relative Intensity
59.01372	3.1
60.26098	2.1
61.31510	2.0
63.66710	1.9
70.01421	4.4
70.01799	3.5
74.20169	2.1
77.38012	2.0
78.95903	72.2
80.12865	2.1
80.96511	11.2
85.07526	2.3
96.96964	14.4
117.88696	2.4
120.55542	2.0
152.99588	20.9
217.00215	2.8
223.00160	3.9
241.01210	31.0
255.23294	57.7
256.23679	4.6
259.02386	3.1
277.21475	2.4
279.23251	44.0
280.23529	3.2
310.41565	2.7
391.22577	4.7
553.27893	4.2
590.00537	2.9
833.51685	100.0
834.51862	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	835.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.4
59.01377	7.7
61.98830	0.4
69.03458	0.7
70.66017	0.4
70.74529	0.2
70.91480	0.2
71.01381	7.6
71.25739	0.2
72.01703	0.2
72.99298	0.8
73.02941	1.3
75.00887	0.2
80.02664	1.4
81.03455	1.9
83.01383	0.7
83.05029	5.3
84.02167	0.8
85.02946	1.8
87.00886	1.8
88.93550	0.2
89.02444	7.2
93.03456	0.4
95.01393	0.6
95.04488	0.2
95.05025	0.9
96.96008	0.7
97.02943	1.1
99.00851	0.3
101.02444	5.4
101.03107	0.3
105.01974	0.2
109.02950	0.4
109.06596	0.4
110.78215	0.2
111.00863	0.3
111.04535	0.3
111.08147	0.2
113.02456	3.1
119.03515	2.1
121.02977	0.2
123.04535	0.4
123.08058	0.2
125.02447	2.2
125.06126	0.4
125.09702	0.4
131.03545	0.3
133.05038	0.2
135.04498	0.6
135.08188	0.8
137.02315	0.2
141.01907	0.2
143.03532	1.0
147.11758	0.3
149.04601	0.2
149.55963	0.2
161.02435	0.7
161.04556	1.6
163.11298	3.7
165.12843	2.6
166.13174	0.2
168.22701	0.2
171.10275	0.7
177.99599	0.2
179.03456	0.3
179.03999	0.2
179.05583	2.0
181.05003	0.3
181.12331	0.5
185.11902	0.2
191.05640	0.3
191.10808	1.5
197.11836	0.3
199.13484	0.2
201.11345	0.2
203.14380	0.2
206.52299	0.2
209.11821	100.0
210.12157	5.9
217.07146	0.3
221.06729	0.9
227.12874	14.5
228.13211	0.9
233.11993	0.2
235.08235	2.2
247.13365	0.6
251.12883	0.3
253.09239	0.4
259.08313	0.3
263.07755	0.3
265.14423	0.5
287.07776	0.8
305.08792	1.1
323.09842	0.6
371.67148	0.2
379.12393	2.6
397.13452	17.9
398.13870	1.3
415.14557	5.4
416.14764	0.5
589.25421	0.6
607.25946	1.9
799.37640	0.6
817.38708	0.5
835.38617	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.4
59.01379	8.2
61.98831	0.2
69.03454	0.5
71.01379	8.3
71.05003	0.2
72.01705	0.1
72.48817	0.1
72.99297	1.0
73.02927	1.1
75.00850	0.2
75.57336	0.1
80.02682	1.2
81.03453	2.0
83.01380	1.1
83.05020	5.9
84.02162	0.8
84.05280	0.2
85.02942	1.9
87.00867	2.0
88.98734	0.1
89.02441	7.7
91.03990	0.2
93.03448	0.4
95.01381	0.6
95.05003	0.9
95.85091	0.2
96.96006	0.5
97.02952	1.4
97.06558	0.2
98.20773	0.3
99.00879	0.6
99.04480	0.2
101.02438	5.9
107.05030	0.1
109.02938	0.4
109.06571	0.5
111.00871	0.2
111.04499	0.3
111.08150	0.1
113.02446	3.8
119.03500	2.1
121.02920	0.2
125.02444	2.6
125.06097	0.4
125.09702	0.3
126.02808	0.2
131.03502	0.4
133.05081	0.2
135.04550	0.4
135.08162	0.8
137.02412	0.2
139.03996	0.3
141.01913	0.3
143.03505	1.3
147.11797	0.3
149.04634	0.2
161.02466	0.5
161.04570	1.5
163.11296	4.0
164.11620	0.2
165.12856	2.5
167.03421	0.2
171.10274	0.6
173.04617	0.2
179.03539	0.2
179.03998	0.2
179.05574	1.8
181.12366	0.6
185.04411	0.1
185.11871	0.2
191.05565	0.2
191.10751	1.2
197.04500	0.2
199.13327	0.2
207.10304	0.2
209.11818	100.0
210.12157	5.8
217.07126	0.4
221.06653	0.6
227.12872	14.4
228.13185	0.9
229.14461	0.2
235.08199	2.3
244.99788	0.2
247.13371	0.6
251.12842	0.4
253.09251	0.5
259.08017	0.2
287.07785	0.7
305.08801	0.8
323.09805	0.5
333.20551	0.2
375.27414	1.1
379.12436	2.2
380.12842	0.2
397.13480	18.3
398.13855	1.6
415.14523	4.8
416.14883	0.2
589.24829	0.5
607.26050	1.1
749.74219	0.2
799.38007	0.9
817.38647	0.2
835.38971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98523	0.1
71.31688	0.2
78.95913	0.1
837.48859	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.8
61.98829	1.3
71.01387	2.2
72.99314	0.6
73.02972	0.6
89.02452	0.5
89.03969	0.5
93.03442	0.6
96.95995	0.9
101.02472	1.2
109.43563	0.4
110.04382	0.4
113.02444	1.2
116.92861	0.7
117.03467	42.6
118.03812	1.5
119.05029	7.5
123.04556	0.7
125.02450	0.6
130.85027	0.4
132.02173	15.8
132.03189	0.8
133.03003	2.4
134.03740	13.9
134.14006	0.5
135.04567	2.2
137.02458	0.6
145.02950	100.0
146.03276	3.2
149.06104	2.0
160.01657	62.9
161.02438	6.9
163.04013	4.9
168.16510	0.4
171.10205	0.5
173.04535	1.2
175.03992	58.4
176.04282	2.3
178.02687	1.6
179.03452	1.9
191.07173	0.5
191.98431	0.4
193.05043	12.5
207.06650	0.4
209.11850	1.1
212.63521	0.4
217.05075	0.8
235.06041	0.9
247.06026	0.7
265.07083	1.9
337.09238	0.8
483.12656	0.5
484.99603	0.5
499.14474	3.0
517.15674	1.9
645.18433	4.0
646.18152	0.7
663.19305	9.3
664.19574	2.0
675.19434	7.7
676.20032	1.4
693.20428	5.9
839.23920	23.0
840.24359	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	839.2397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.3
69.61123	2.9
71.01378	5.7
73.02961	0.9
85.02953	2.1
89.02457	2.3
90.18446	0.7
93.03461	1.3
93.35802	0.8
96.96021	0.8
99.00821	1.0
101.02476	1.8
111.00843	1.3
113.02444	3.1
115.00371	1.0
117.03451	11.4
119.03497	0.7
119.05012	3.8
132.02176	31.2
133.02953	1.1
134.03741	31.4
135.04474	2.3
137.02512	1.1
145.02960	20.3
146.03311	1.0
149.06032	3.7
160.01660	100.0
161.02203	4.4
163.03986	3.3
173.04588	1.0
175.04002	94.2
176.04338	4.0
178.02727	2.1
179.03503	1.3
187.04034	0.9
193.05055	37.5
194.05481	0.9
197.06099	0.9
206.05634	0.8
213.05476	1.0
221.08203	0.8
225.05502	3.5
226.06346	86.3
227.06866	8.4
235.06143	1.4
241.04916	2.2
241.08702	34.4
242.09024	1.7
243.12344	1.4
247.06035	1.7
256.07379	3.0
257.08191	2.1
265.07062	3.6
271.09698	1.9
280.07321	0.8
321.07861	0.8
355.10608	0.8
357.09570	1.5
475.34225	0.8
499.14633	5.1
553.24634	0.7
567.13672	2.7
597.14569	66.1
598.14545	6.1
831.82648	0.8
839.23987	23.2
840.23975	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	839.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	89.4
60.01738	0.7
71.01382	18.0
72.99305	0.7
73.02943	6.6
81.03453	1.5
83.01379	4.2
85.02956	9.0
87.00871	1.0
89.02452	1.5
92.30209	0.5
93.03400	0.7
95.01386	1.9
97.02987	1.0
99.00890	3.1
99.04517	100.0
100.04874	1.6
101.02441	37.6
102.74499	0.5
113.02447	7.3
119.05020	1.5
123.04507	0.6
125.02449	41.2
125.11932	0.5
127.64765	0.5
128.31177	0.5
143.03485	5.4
159.02963	1.5
161.02515	0.9
161.04562	12.0
163.04054	1.3
164.34201	0.5
165.09247	0.7
173.04611	0.5
243.12338	1.6
269.10287	20.4
270.10611	0.9
271.02423	1.2
300.02750	3.6
301.03296	1.2
311.11340	20.9
311.83127	0.6
312.11682	1.2
351.14481	5.3
369.15558	0.7
405.17645	1.2
413.14505	82.2
414.14764	6.1
433.07626	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	839.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.0
64.54021	0.6
65.97750	0.5
69.03435	1.6
69.29447	2.7
69.29874	2.3
71.01378	6.0
73.02922	1.4
80.96518	1.1
83.01395	1.1
83.05014	0.7
85.02950	6.4
87.00874	0.6
89.02438	4.0
95.04961	0.8
97.02941	1.2
97.06585	3.0
101.02444	5.0
112.75343	0.6
113.02428	1.9
113.81635	0.6
119.03465	0.8
125.09699	0.6
127.11265	1.2
134.65930	0.6
137.09709	1.4
161.04572	3.1
164.09058	0.6
165.12836	1.1
167.10800	0.6
167.14342	0.8
168.26106	0.6
171.10260	16.8
177.12888	1.5
179.05602	1.1
183.13934	3.2
193.12251	1.2
195.13881	6.9
201.11308	0.8
203.10915	0.8
205.12379	1.0
209.11818	1.3
211.11493	1.0
211.13393	15.2
221.11853	1.8
223.13431	6.1
229.14455	9.2
235.08221	6.9
239.12871	1.3
248.69293	0.7
253.09274	37.3
254.09666	2.1
256.13211	1.0
258.98309	0.6
265.21683	0.8
275.20087	5.0
291.19696	4.9
293.21210	100.0
294.21548	8.9
309.08978	0.6
309.20685	7.5
310.21057	0.9
327.21747	83.9
328.22021	5.5
529.30200	1.9
545.29694	2.1
547.40338	0.6
563.30609	8.5
564.31134	1.0
603.42322	3.5
839.50964	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.7
59.01631	0.4
61.98817	1.2
71.01403	0.4
71.05032	2.3
78.95890	2.3
80.02692	0.8
81.03448	1.1
83.05023	0.8
95.05015	1.5
98.03736	0.8
102.05636	0.4
109.02948	0.7
109.06585	7.9
111.04530	3.6
111.08126	0.9
112.05309	0.7
113.09723	0.4
121.10237	0.5
123.04517	0.6
123.08151	0.8
127.07647	1.9
135.04550	0.5
135.08189	0.6
137.09731	0.7
143.10760	0.9
145.06590	1.2
149.09706	0.5
167.10770	1.5
171.10258	1.3
177.12819	0.6
179.10779	0.8
181.12279	0.7
185.86153	0.4
191.14435	0.7
195.13872	2.6
198.22537	0.4
207.17432	0.4
209.11879	0.7
224.06981	0.5
235.13319	0.7
245.19156	4.7
249.14850	0.7
251.16435	1.0
261.18491	0.4
271.16977	1.1
273.14963	0.4
277.21735	0.7
287.16516	1.7
289.18082	100.0
290.18448	9.8
291.19623	2.5
293.21277	1.1
295.22781	3.4
307.19138	19.1
308.19507	2.1
309.20682	0.9
405.10172	0.4
518.28979	1.0
520.30389	7.4
521.30762	0.9
532.30396	0.5
842.52570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	91.8
71.01012	1.5
71.01382	22.5
71.52201	1.6
72.99310	2.0
73.02945	7.1
81.03427	1.8
82.75403	1.3
83.01386	3.4
85.02950	3.6
87.00871	1.3
89.02438	23.3
95.01427	0.9
96.96002	1.9
99.04516	100.0
100.04853	2.0
101.02438	44.6
109.02960	1.1
113.02442	9.5
113.06075	1.5
113.96946	1.1
119.03490	8.8
123.04508	5.3
125.02442	38.2
130.28572	0.9
131.03481	2.1
135.04492	1.9
143.03481	8.5
149.04547	3.3
153.05482	1.3
153.27782	0.9
155.03416	1.3
155.04584	0.8
161.02415	1.4
161.04538	8.6
173.04535	1.8
179.05615	4.6
209.11786	1.4
221.06635	3.9
228.91939	1.1
238.73547	1.2
247.11842	4.4
261.09796	1.2
271.02512	1.2
289.12888	10.5
290.13354	1.0
300.02673	2.8
301.03214	1.5
329.16129	6.0
391.16025	89.1
392.16425	6.8
451.32684	1.5
463.08731	3.6
676.99353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.8
63.02389	0.4
65.00298	0.6
65.43664	0.3
69.21487	0.3
69.34920	0.4
69.35322	2.2
71.01385	0.6
73.02940	0.5
79.56554	0.3
83.01379	0.5
86.38702	0.3
89.36404	0.3
98.20639	0.7
99.04505	3.8
101.02446	1.6
107.01387	0.9
108.02186	1.0
109.02942	0.6
113.02460	0.4
116.89986	0.3
121.02929	0.7
125.02403	1.4
125.55647	0.3
135.00856	0.5
135.04474	0.4
148.01668	1.0
151.00365	4.7
153.45660	0.3
161.02426	0.6
163.00369	1.2
178.99823	2.2
199.03986	0.3
201.05516	0.4
204.72334	0.3
211.03993	0.4
215.03522	0.3
226.02603	0.5
227.03346	1.8
243.02960	5.9
244.03374	0.4
254.02216	1.5
255.02950	17.3
256.03406	1.2
269.10330	0.6
271.02454	34.4
272.02985	2.6
273.04019	0.5
283.02359	0.5
299.02066	0.6
300.02719	81.9
301.03387	20.7
302.03876	0.9
311.11398	0.7
351.14551	0.3
389.18134	0.5
413.14334	2.2
414.14911	0.4
433.07697	100.0
434.08014	10.2
623.21222	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	2.0
63.96231	1.5
71.01381	7.3
73.02953	1.7
78.98591	6.7
79.95737	17.4
80.17570	0.4
80.96516	85.1
81.03448	0.7
82.96096	1.1
85.02943	3.8
87.00883	3.1
94.98083	18.3
96.96010	2.0
97.02942	1.6
101.02441	2.5
106.98093	3.3
122.97585	3.3
125.02462	3.1
127.04009	0.9
134.97600	5.0
136.99101	1.4
148.99132	7.0
152.98627	6.6
164.98618	12.3
206.99649	3.0
225.00734	19.1
226.01060	0.6
229.27342	0.5
255.23280	1.7
271.20816	0.5
283.04901	0.8
346.80148	0.5
419.59229	0.6
537.27692	1.6
568.89331	0.6
591.24542	1.5
847.48718	100.0
848.49121	20.9
848.65570	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.3758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.3
61.98831	1.0
65.01844	0.5
69.03455	4.8
71.01385	13.0
71.05025	1.9
72.99307	2.9
73.02946	2.9
78.95851	0.8
80.02671	1.0
81.03450	2.2
83.01392	2.0
83.05030	5.5
84.02145	1.4
85.02956	3.0
87.00873	2.1
89.02444	8.5
93.03471	1.0
95.01427	1.5
95.05048	0.6
96.96008	1.2
97.02952	2.2
97.06609	0.9
99.00862	1.6
101.02439	10.0
105.01873	0.7
108.02240	0.6
109.02958	1.9
109.06602	1.0
113.02436	3.7
115.63081	0.5
117.67302	0.7
119.03535	3.1
121.02943	0.9
123.04501	1.1
123.08130	1.4
125.02444	2.5
125.09692	2.4
133.02980	1.2
135.04498	2.7
135.08159	0.7
137.02400	0.9
137.09669	0.7
151.11282	2.2
153.12823	1.3
161.02423	2.9
161.04506	1.3
161.09679	3.0
161.31558	0.6
163.11258	4.0
165.12828	2.1
171.10185	0.8
173.04520	1.0
179.03479	0.9
179.05589	1.0
179.10767	5.7
188.38847	0.6
191.05530	0.7
197.11819	51.0
198.12146	3.1
207.10268	1.9
209.11809	45.3
210.12109	2.5
211.55460	0.6
221.06630	2.3
223.09668	1.7
225.11295	1.7
227.12915	2.3
235.08012	0.8
241.10796	5.1
243.12263	0.6
260.10696	0.7
267.06561	1.0
271.02325	0.9
300.02756	0.8
309.03995	0.8
311.05594	0.7
339.04977	1.4
359.07599	0.9
370.89923	0.7
397.13513	2.3
639.25146	0.8
831.34552	0.8
849.37567	100.0
850.37927	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	849.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	13.8
63.33330	1.6
69.03396	1.6
71.01394	10.9
71.52443	1.9
72.99289	1.7
78.95892	2.0
85.02937	3.1
87.00865	2.4
89.02432	8.8
92.24071	1.6
97.06580	3.4
101.02443	8.0
112.48492	1.7
113.02421	4.8
119.03478	2.0
125.02468	2.5
125.76762	1.6
137.61533	2.2
151.11266	10.3
169.12329	34.7
203.81500	1.9
213.11353	3.8
221.06651	3.2
255.23256	42.1
256.23782	2.6
471.70923	2.1
778.99139	2.2
849.48553	100.0
850.48724	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	851.2399
Annotation	Smilaside H
Peak:m/z	Relative Intensity
59.01380	1.4
59.80424	0.2
61.98830	0.8
66.40131	0.2
69.27213	0.2
71.01379	1.4
71.52173	0.3
72.99330	0.4
73.02942	0.3
75.28370	0.2
78.51084	0.2
83.01414	0.2
87.00853	0.5
89.02434	0.3
89.03983	0.4
93.03412	0.4
97.03002	0.3
101.02463	0.6
105.01939	0.3
113.02462	0.4
116.02735	0.2
117.03462	44.6
118.03775	1.5
119.05025	5.6
123.04536	0.4
132.02176	0.8
133.02942	0.7
134.03745	4.4
135.04572	1.2
145.02948	100.0
146.03287	3.3
149.06071	0.7
153.01945	0.3
159.04494	0.3
160.01653	3.8
161.02458	1.4
161.06166	0.2
162.02780	0.3
163.04004	3.1
163.11285	0.3
171.10237	0.6
175.03993	4.6
178.02707	0.7
179.03426	1.0
187.03993	0.6
193.05019	3.4
197.11732	0.3
201.11314	0.4
207.10271	0.3
209.11769	1.8
217.05040	0.5
225.11325	0.5
226.06372	0.3
227.12860	0.4
265.07178	0.4
397.13309	0.4
483.12997	0.5
541.15253	1.0
559.16687	1.3
675.19165	0.3
687.19061	3.9
687.30688	0.2
688.19855	0.4
705.20282	8.9
706.20624	1.4
807.37793	0.2
851.23993	13.8
851.38049	0.7
852.24481	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	852.511
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
62.98526	0.2
64.46854	0.1
65.12787	0.1
70.00668	0.3
72.54655	0.1
192.47533	0.1
275.12421	0.1
297.69501	0.1
348.52167	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01706	2.2
67.37185	0.8
71.01380	21.9
72.99321	0.8
73.02943	12.2
79.21617	0.7
81.03453	2.4
83.01367	4.2
83.05014	1.0
84.94789	0.8
85.02951	9.5
89.02430	4.8
95.01382	1.2
96.96001	0.8
97.02911	0.9
98.20752	1.5
99.00854	2.7
99.04515	79.0
100.04848	1.6
101.02438	37.1
113.02456	11.1
123.08166	5.5
125.02446	31.4
126.02687	1.0
137.09697	2.3
143.03505	6.9
149.04495	0.9
159.03009	1.4
161.04550	12.0
163.11290	5.0
167.82008	0.7
179.03394	0.7
189.12836	10.3
190.13246	1.0
203.05592	2.5
207.13898	11.4
221.06570	1.0
225.14897	2.6
235.11844	28.5
236.12088	1.2
277.10129	1.2
277.12946	15.3
317.16019	6.8
321.11780	0.9
335.17255	1.0
369.19049	0.9
379.16061	100.0
380.16443	7.4
387.20300	3.7
429.21262	26.1
430.21567	2.6
443.19287	1.1
456.12930	0.9
473.16614	2.0
482.64490	0.8
513.87872	1.0
546.42505	0.9
634.54401	0.8
859.36139	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81925	1.2
71.01395	16.1
71.50647	2.3
71.96660	1.3
73.02953	16.6
77.91991	1.3
78.95896	4.7
81.03458	2.0
83.05044	6.4
85.02950	6.0
85.91399	1.3
89.02443	24.2
93.03458	48.3
94.29307	1.3
96.96019	1.7
96.96960	14.9
99.00883	6.4
99.04520	6.5
101.02440	9.3
111.04524	20.6
113.02432	6.9
119.03518	8.5
129.01857	2.0
136.48396	1.5
137.02448	13.6
143.03479	5.4
155.03481	6.5
160.29764	1.6
161.04536	2.0
170.90256	3.0
172.89940	14.6
173.04538	87.5
174.04875	3.0
179.05597	6.8
289.89716	1.6
341.10867	100.0
342.11188	5.6
343.22101	1.6
377.08575	2.4
379.08194	2.0
515.01361	2.5
515.16095	32.0
516.16534	2.5
600.23053	1.5
614.55042	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	857.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
62.81925	1.2
71.01395	16.1
71.50647	2.3
71.96660	1.3
73.02953	16.6
77.91991	1.3
78.95896	4.7
81.03458	2.0
83.05044	6.4
85.02950	6.0
85.91399	1.3
89.02443	24.2
93.03458	48.3
94.29307	1.3
96.96019	1.7
96.96960	14.9
99.00883	6.4
99.04520	6.5
101.02440	9.3
111.04524	20.6
113.02432	6.9
119.03518	8.5
129.01857	2.0
136.48396	1.5
137.02448	13.6
143.03479	5.4
155.03481	6.5
160.29764	1.6
161.04536	2.0
170.90256	3.0
172.89940	14.6
173.04538	87.5
174.04875	3.0
179.05597	6.8
289.89716	1.6
341.10867	100.0
342.11188	5.6
343.22101	1.6
377.08575	2.4
379.08194	2.0
515.01361	2.5
515.16095	32.0
516.16534	2.5
600.23053	1.5
614.55042	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	863.5
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	0.6
66.89088	0.4
69.03460	1.3
69.20286	2.7
69.20699	1.0
70.05785	0.3
71.01380	16.4
72.99301	1.2
73.02941	2.7
74.76616	0.4
78.28839	0.4
80.02693	0.7
81.03451	2.2
83.01369	2.4
83.05016	5.6
84.02160	0.6
85.02948	4.7
87.00871	4.3
89.02442	13.4
95.01390	1.7
97.02943	3.2
99.00875	0.9
101.02438	12.5
109.02988	0.4
111.04520	1.0
113.02450	7.5
115.03991	0.5
119.03513	3.7
125.02445	6.2
126.08445	0.4
131.03526	0.7
135.08104	0.5
139.04031	1.0
141.01746	2.3
143.03473	2.9
147.11732	0.5
149.04510	0.4
161.04507	3.3
163.11261	3.9
165.12811	2.4
167.03586	0.6
179.05594	4.4
181.12378	0.8
191.10760	1.3
199.06068	0.5
209.11812	100.0
210.12152	4.8
217.07108	0.8
221.06644	1.1
227.12860	16.1
235.08206	5.3
236.08511	0.6
253.09290	0.6
255.23279	53.9
256.23621	3.7
259.08356	0.5
263.07654	0.9
269.24844	0.6
287.07700	1.7
291.19855	0.5
305.08826	1.8
323.09848	0.8
354.10278	0.5
361.11325	0.5
379.12415	8.8
380.13062	0.5
397.13486	40.8
398.13766	3.1
415.14560	7.7
416.14590	0.6
417.37491	0.5
589.24878	0.8
607.25946	1.1
635.36572	0.8
653.36951	2.3
654.37500	0.5
863.49133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.3
65.65137	0.3
69.03445	0.5
71.01007	0.6
71.01379	7.8
71.51157	0.4
71.51503	0.4
72.99310	0.8
73.02946	0.9
75.00896	0.3
78.47202	0.3
80.02669	1.3
81.03457	1.2
83.01389	0.4
83.05023	4.8
84.02155	1.0
85.02950	1.8
85.19212	0.4
87.00880	1.7
89.01965	0.2
89.02441	7.0
93.03426	0.3
95.01369	0.5
95.05033	0.8
96.96006	0.3
97.02951	1.0
99.00884	0.4
101.02432	5.7
109.02956	0.5
109.06577	0.4
111.93428	0.3
113.02440	3.0
113.69633	0.3
117.03453	0.4
119.03500	2.6
119.05015	0.5
123.04491	0.6
125.02453	2.8
125.06081	0.6
132.02121	0.4
133.02943	2.6
135.04510	0.7
135.08159	0.9
143.03485	1.0
145.02960	1.2
153.74466	0.3
161.02446	5.9
161.04482	1.8
162.02792	0.4
163.11255	4.1
165.12877	2.3
171.10294	0.6
179.03439	0.4
179.05582	2.4
181.12328	0.7
191.10765	1.1
201.11375	0.7
207.10207	0.8
209.11819	100.0
210.12192	5.2
217.07129	0.5
221.06693	0.7
225.11287	0.6
227.12886	13.8
228.13292	0.8
235.08224	3.0
243.12294	0.4
251.13016	0.5
253.09189	0.6
287.07666	1.0
305.08762	0.9
323.09900	0.6
379.12476	3.2
394.01578	0.4
397.13461	20.4
398.13794	1.1
415.14487	5.3
589.25232	1.5
607.25861	3.0
764.77802	0.4
799.37469	0.8
831.37115	0.4
838.11633	0.4
849.37421	0.7
867.22845	0.8
868.24725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96401	0.4
70.48091	0.3
71.52863	0.5
78.63227	0.3
78.95898	50.9
79.17470	0.3
96.96958	6.1
96.97530	0.6
97.81028	0.3
136.62244	0.3
150.98058	1.9
152.99574	100.0
153.99910	1.3
171.00630	3.6
203.56264	0.3
209.11807	0.9
277.21619	0.5
279.23248	0.9
337.13901	0.3
351.73358	0.3
397.13345	0.4
429.28433	0.3
433.23547	38.8
434.23810	2.7
513.20123	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	6.5
66.82979	0.4
69.03459	1.0
70.34860	0.5
70.35187	1.0
71.01379	17.2
72.99319	1.7
73.02955	2.4
78.95911	1.7
79.95734	0.6
80.96518	0.8
81.03453	0.8
83.01362	2.5
85.02952	4.3
86.20047	0.5
87.00880	4.8
89.02440	15.1
89.30592	0.5
95.01412	1.5
97.02937	3.3
99.00903	0.9
101.02436	12.8
111.04521	0.6
113.02447	8.8
119.03507	4.2
125.02430	7.1
125.09700	1.0
127.11256	1.6
133.05031	0.5
143.03476	2.6
149.04567	0.5
152.99591	0.9
153.09190	0.7
161.04565	3.4
163.03958	0.6
171.10260	100.0
172.10611	3.9
179.05592	3.7
195.13893	1.5
199.06126	0.5
211.13406	0.8
217.07166	1.7
221.06737	1.4
235.08200	5.9
253.09247	1.8
255.23273	69.2
256.23645	5.1
259.08167	1.4
269.24786	1.0
277.21671	1.1
287.07700	2.5
293.21210	3.6
294.21722	0.6
295.22723	4.5
301.09238	0.8
305.08707	2.6
309.20404	0.6
323.09756	1.2
329.23349	0.7
361.11563	0.7
366.40802	0.5
379.12415	21.2
380.12924	1.5
397.13467	41.8
398.14224	2.7
415.14542	7.0
511.58664	0.5
543.30981	0.5
551.23364	6.4
569.24622	4.1
600.74774	0.5
635.36444	4.5
636.36530	0.7
653.37445	6.8
654.37646	1.5
662.72156	0.5
684.56073	0.6
722.47284	1.2
793.53857	2.8
807.46552	0.6
867.47034	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
69.79572	0.9
80.96523	0.6
98.20609	0.2
107.37331	0.1
130.29990	0.1
138.99318	0.1
174.99477	0.1
198.60641	0.1
199.16492	0.2
201.59178	0.2
306.07526	0.1
374.54135	0.2
868.50989	0.4
869.47504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	100.0
70.14906	0.2
70.15297	0.2
71.94583	0.1
79.95717	0.1
80.96516	0.1
88.40520	0.1
98.20002	0.1
115.22398	0.1
159.11015	0.1
185.65018	0.1
293.21240	0.2
294.21533	0.3
295.21939	0.1
493.75281	0.1
868.45935	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	869.25
Annotation	Unknow
Peak:m/z	Relative Intensity
69.66254	1.5
69.66656	1.0
71.01373	4.3
72.67398	0.4
72.99323	0.6
73.02917	0.8
73.07571	0.5
77.09472	0.5
78.99934	0.5
83.01383	0.6
85.02964	1.0
87.11026	0.4
89.02454	1.7
93.03452	1.9
95.01405	0.9
98.20554	0.7
99.00842	0.7
101.02453	2.0
109.02939	1.1
111.00892	0.7
113.02449	2.3
115.00356	0.9
117.03458	2.3
118.10700	0.4
119.05044	0.8
123.04550	0.9
125.02454	0.5
132.02167	30.4
133.02959	1.4
134.03738	31.2
135.04478	1.5
137.02417	2.5
139.00368	0.5
143.03499	0.5
145.02911	0.7
147.04492	0.9
149.06052	3.4
158.03801	0.4
159.04469	0.6
160.01657	100.0
161.02237	4.4
171.04546	0.6
171.10208	0.5
173.04559	0.5
175.03999	95.2
176.04341	2.8
178.02698	2.2
181.05141	0.6
185.06097	2.4
187.07533	0.5
193.05046	31.3
194.05429	1.0
195.04492	2.2
197.06094	1.4
201.11313	1.2
209.11823	0.9
211.03972	0.8
212.04843	1.2
213.05566	13.2
213.07605	0.7
214.06049	0.9
221.08334	0.7
223.03969	2.0
224.04779	1.9
225.11371	0.6
235.06163	0.6
240.04266	1.0
241.05049	44.3
242.05624	4.8
247.06140	1.4
255.06543	0.9
256.07391	31.0
257.08139	10.5
265.07162	1.6
271.09729	27.5
272.10074	1.8
310.08469	0.7
329.68701	0.5
387.10806	1.1
499.14438	3.3
507.89093	0.5
525.19745	2.2
597.14545	53.6
598.14795	5.0
707.10547	0.5
840.83337	0.6
869.24963	20.1
870.25458	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	870.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.23595	0.1
61.98828	100.0
69.85789	0.6
71.01398	0.2
78.95896	1.0
79.63832	0.1
79.95724	0.1
80.96511	0.2
81.95573	0.1
89.02477	0.1
97.54705	0.1
98.20006	0.2
152.99571	1.4
171.10289	0.5
172.10675	0.3
187.38174	0.1
256.23694	0.3
257.24100	0.2
435.25290	0.5
871.49884	0.2
880.01074	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	877.4804
Annotation	Unknow
Peak:m/z	Relative Intensity
65.94299	0.8
69.03449	4.1
71.01378	14.7
71.05022	1.7
72.15127	0.7
72.99317	1.3
73.02927	1.6
83.01375	2.0
85.02933	3.2
87.00858	3.0
89.02438	10.1
95.01394	1.3
97.02940	2.6
99.00856	0.9
101.02435	10.8
103.86482	0.7
111.04518	1.6
113.02422	3.6
119.03479	2.3
123.08131	0.8
125.02420	1.8
151.11288	1.8
153.12773	1.3
161.04570	1.0
161.09688	2.0
179.05634	1.7
179.10745	3.6
195.13965	4.1
197.11818	55.9
198.12181	2.4
204.56033	0.8
221.06644	2.6
223.09746	2.0
223.13370	2.2
235.08110	1.2
241.10776	3.5
253.09248	8.0
255.20660	1.7
255.23282	30.5
256.23611	1.8
275.20035	2.4
293.21216	43.2
294.21561	3.2
397.13364	2.8
426.29471	0.9
498.61884	1.0
859.46436	1.5
877.47961	100.0
878.48364	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	877.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99809	0.3
69.03462	4.2
71.01380	13.0
71.05019	1.2
71.41631	0.6
72.99307	1.1
73.02931	2.5
75.00868	0.3
81.03461	0.8
83.01386	2.0
83.05002	0.6
85.02956	2.5
87.00874	2.1
89.02444	9.8
95.01399	1.0
97.02939	2.5
97.06580	0.9
99.00885	1.1
99.04501	0.3
101.02444	9.3
111.04506	0.6
113.02448	3.9
119.03498	1.9
122.58420	0.3
123.08161	1.1
125.02446	2.3
125.09719	2.3
137.09761	0.4
143.03496	0.7
149.09706	0.4
151.11313	2.5
153.12863	0.7
161.04541	1.2
161.09729	3.5
175.48958	0.3
179.05606	0.6
179.10779	5.0
191.04622	0.3
197.11816	34.2
198.12119	1.4
205.08890	0.4
209.11819	1.1
217.07133	0.4
221.04659	0.3
221.06627	1.9
223.09787	0.6
235.08234	1.1
241.10780	1.6
253.09200	0.4
255.23273	46.3
256.23581	3.4
269.24796	0.4
293.21259	0.3
397.13416	2.0
415.14493	0.7
637.34576	0.3
859.46356	0.4
877.47943	100.0
878.48328	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	879.495
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	1.0
69.03445	1.2
70.58967	1.3
70.59342	0.4
70.96225	0.4
71.01378	14.0
71.05003	1.9
72.99297	1.3
73.02934	2.5
75.00903	0.7
81.03453	0.6
83.01379	1.7
85.02950	3.0
87.00873	2.2
89.02443	10.0
95.01361	1.3
95.05018	0.5
97.02959	4.2
97.06578	2.1
99.00278	0.6
99.00883	10.2
101.01802	0.7
101.02438	10.9
102.82215	0.5
103.92418	0.4
106.04236	0.7
107.68008	0.4
109.06561	1.1
110.03741	0.5
111.00858	0.5
113.02447	5.0
119.03523	2.4
123.08131	1.4
125.02415	2.2
125.09717	4.9
127.11257	1.2
135.08194	0.6
136.05270	0.5
139.04047	0.5
141.01857	0.5
142.02667	1.0
143.03497	0.9
161.02473	0.4
161.04550	1.3
161.09706	0.6
163.11275	7.1
167.05475	0.4
171.10251	3.7
179.05516	1.4
181.10855	0.8
181.12344	10.6
197.11853	1.1
199.09662	0.5
199.13393	8.6
201.11223	1.3
207.10245	22.1
208.10629	1.1
220.55997	0.4
221.06607	2.1
225.11305	35.3
226.11577	1.0
235.08212	1.9
243.12375	7.5
253.09352	0.7
255.23273	47.5
256.23581	2.7
289.18146	0.6
291.19669	0.7
293.21100	1.0
294.21597	0.9
379.12149	0.9
397.13470	6.1
397.22556	0.5
415.14310	1.1
605.24292	1.9
623.25598	1.4
861.48431	12.2
862.49146	2.3
879.49542	100.0
880.49780	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.25
Annotation	Smilaside E
Peak:m/z	Relative Intensity
61.98821	1.5
68.27956	0.5
68.40189	0.4
71.01384	1.4
71.52400	0.6
72.99289	0.6
73.85988	0.5
74.94926	0.5
85.02951	0.7
86.35960	0.4
87.00864	0.5
89.03979	0.5
93.03466	1.2
101.02414	1.1
109.02941	0.6
113.02453	0.8
117.03463	46.3
118.03785	0.8
119.05026	5.7
120.48026	0.5
121.02932	0.5
123.04532	0.7
125.02402	0.5
132.02174	16.8
133.02986	2.5
134.03738	12.2
135.04536	6.7
137.02472	0.6
145.02950	100.0
146.03285	2.8
147.04437	0.6
149.02458	0.5
149.06070	2.8
150.03185	0.6
153.05597	0.8
159.04526	0.8
160.01657	63.0
161.02443	8.8
163.04022	3.6
173.04555	0.8
175.03993	54.7
176.04362	1.9
178.02679	1.3
179.03514	7.6
179.05162	0.6
183.79803	0.4
187.04057	0.9
193.05034	9.6
194.05313	0.6
202.84843	0.4
209.11728	0.7
211.52870	0.5
217.04965	0.5
226.06342	1.0
265.07248	0.6
267.06598	1.1
311.05753	1.8
319.08328	0.6
327.22012	0.5
337.09244	1.0
341.06790	0.7
388.12839	0.5
523.14630	0.6
538.51416	0.5
541.15735	2.2
559.16748	2.6
687.19318	3.2
688.19489	0.7
705.20337	10.5
706.20856	1.8
717.20325	6.9
718.20300	1.0
735.21191	7.2
736.21851	0.7
881.25073	21.4
882.25592	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	881.4029
Annotation	Velpatasvir
Peak:m/z	Relative Intensity
61.98828	5.1
69.03463	4.6
71.01383	18.0
71.05022	1.8
71.52192	1.6
72.99287	2.7
73.02939	2.6
80.02656	1.7
81.03457	2.9
83.01368	2.7
83.05013	7.1
84.02141	1.7
85.02917	4.4
87.00871	3.4
89.02449	13.0
93.03438	1.6
95.01370	1.9
96.95966	1.5
97.02962	2.0
97.06577	1.1
99.00867	1.4
101.02440	11.2
102.93771	1.0
105.78017	0.8
105.82863	0.9
108.02182	2.7
109.02937	4.5
109.06560	1.4
113.02442	5.5
119.03500	3.5
122.83469	0.9
123.08237	2.0
125.02421	2.1
125.09681	2.7
131.72801	0.9
133.02940	1.3
134.03743	2.0
135.04543	2.1
135.08202	1.1
143.03424	1.4
151.11266	2.3
152.01138	1.9
153.01909	3.3
153.12837	2.3
160.01617	2.6
161.02400	2.9
161.04543	1.3
161.09758	4.5
163.11249	4.2
165.12825	2.1
171.10309	1.1
173.04529	2.0
175.03905	2.6
179.03508	1.5
179.10777	7.8
191.05571	1.2
191.10793	1.0
197.11819	71.6
198.12193	3.4
207.10239	1.1
209.11821	71.3
210.12123	2.6
221.06662	2.5
226.06317	2.4
227.12849	4.3
235.08200	1.7
241.08598	1.1
241.10829	5.3
397.13266	1.4
639.15295	1.3
837.35718	2.0
849.37555	100.0
850.37756	15.0
881.40222	59.7
881.58917	2.0
882.40601	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	883.542
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72229	1.7
61.98830	100.0
71.01377	6.4
78.95898	3.3
79.95742	1.5
80.96526	3.5
83.01379	1.9
85.02972	8.8
87.00848	2.4
89.02440	3.8
97.02956	1.8
97.06595	1.8
98.20751	3.5
101.02448	5.9
113.02485	3.6
137.09712	2.0
161.04501	3.3
171.10246	20.3
183.13931	3.2
207.10243	2.8
209.11766	2.0
211.13301	4.9
229.14471	4.7
229.22253	2.6
235.08188	18.2
251.16568	1.9
253.09248	27.5
277.21710	97.9
278.21994	8.2
291.19775	4.9
309.20639	13.4
327.21722	63.4
328.21933	4.3
480.24594	1.9
486.83926	1.8
513.30151	2.5
520.95728	1.9
545.29584	7.5
563.30847	4.9
717.58057	2.0
883.45483	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	885.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
62.29792	0.5
69.03432	2.5
71.01379	60.4
72.99302	3.9
73.02943	60.1
74.03255	1.0
81.03465	1.2
83.01383	20.1
85.02947	11.6
87.00875	3.0
89.02443	17.4
95.01379	3.3
96.96002	1.9
97.02946	2.2
99.00853	2.4
99.04514	20.1
99.45218	0.6
100.81861	0.6
100.97845	0.5
101.02439	67.0
102.02794	1.1
107.04996	0.7
113.02441	25.1
119.03491	9.4
123.08147	1.7
125.02451	10.2
125.09754	0.6
125.54418	0.5
126.89983	0.5
129.01929	0.6
131.03514	5.0
134.23730	0.6
135.04498	0.8
135.08136	1.6
143.03494	8.2
147.02953	0.8
147.08124	2.6
149.04555	10.8
153.09215	11.1
155.03529	1.3
161.04550	23.6
161.09724	0.7
163.11267	3.1
165.09138	1.5
177.12917	0.9
179.05573	1.8
179.10651	0.7
187.11270	2.5
190.09993	1.3
203.05627	4.6
203.10764	0.7
205.12318	26.8
206.12604	0.8
221.06619	9.3
223.13329	4.4
247.57130	0.6
263.07684	1.0
269.10385	4.5
299.99408	0.6
300.02792	1.6
311.11380	3.6
351.14380	0.9
367.12921	1.1
367.17560	22.5
368.17886	1.9
385.13617	1.2
385.18613	15.9
386.19058	1.3
413.14493	16.4
414.14883	1.2
427.19684	100.0
428.20117	8.8
433.07910	1.3
471.19022	1.1
675.52734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5167
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
71.01344	0.2
78.95925	0.3
79.29448	0.1
79.95738	0.3
80.96516	0.6
85.44524	0.2
87.54131	0.2
88.19480	0.2
108.98726	0.2
110.45914	0.1
111.98029	0.2
122.63563	0.2
133.02956	0.2
164.98660	0.2
209.11949	0.2
258.20642	0.2
277.21741	0.4
285.15503	0.2
295.22549	0.2
329.66522	0.2
509.65103	0.2
680.07648	0.2
812.51672	0.3
886.47528	0.3
887.49109	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	1.5
70.22259	1.8
70.22657	2.8
70.28099	1.2
71.01378	70.0
72.01701	1.5
72.99297	3.5
73.02943	43.9
76.23557	1.1
81.03458	1.8
83.01390	14.8
83.01849	2.0
84.01733	1.3
85.02942	22.5
87.00873	4.6
89.02438	25.4
95.01386	5.5
96.96011	6.0
97.02950	1.4
99.00903	3.2
99.04517	63.7
101.02440	75.8
102.02784	2.8
113.02444	34.0
119.03504	13.3
123.08171	1.7
125.02441	31.6
126.02769	1.3
131.03513	5.8
137.09712	3.9
143.03461	13.4
147.24634	1.2
149.04556	10.8
153.09245	1.9
159.03027	1.9
161.04536	37.7
162.04921	1.8
175.03954	1.7
179.05600	8.9
203.05598	2.6
205.12271	2.4
206.12566	1.2
207.14001	1.4
221.06564	6.6
225.14948	2.8
247.03003	1.2
253.93883	1.2
269.10312	14.7
311.11383	13.4
351.14413	2.2
367.17426	1.6
368.17773	2.1
369.19174	11.4
387.20184	19.0
388.20737	2.1
413.14532	59.2
414.14850	6.0
415.17969	15.3
427.19800	5.7
428.19949	5.5
429.21237	100.0
430.21536	7.5
473.20261	1.5
719.05670	1.3
740.67755	1.5
854.02893	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	889.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
62.17263	0.2
69.03449	0.3
70.36519	0.7
71.01377	6.2
72.20665	0.2
72.78651	0.2
72.99315	0.4
73.02941	4.1
81.03459	0.3
83.01378	1.6
85.02954	1.8
89.02438	1.8
93.03437	0.5
95.01385	0.7
95.05041	0.9
97.02956	0.4
99.00896	0.4
99.04506	0.3
101.02439	4.7
108.02150	0.3
109.06592	0.6
111.04492	0.2
113.02440	3.1
119.03519	0.8
121.02995	0.4
121.06591	0.8
122.03745	1.1
123.04521	67.1
124.04829	1.2
124.05271	1.1
125.06039	0.3
128.77989	0.2
131.03503	0.4
133.06599	0.5
134.91248	0.2
135.04538	0.6
137.06070	0.9
139.07642	9.6
140.07954	0.2
143.03519	0.4
149.04562	0.6
149.06120	0.3
149.09721	0.6
151.07617	1.1
153.05568	100.0
154.05907	2.7
158.07414	0.2
161.04558	3.3
163.07593	0.5
168.07922	4.8
169.08263	0.3
173.09718	0.2
175.07599	0.2
176.08411	0.3
179.10739	0.6
179.16556	0.2
191.10768	5.0
203.05597	0.3
203.10803	1.4
209.11848	2.0
210.12265	0.2
221.06616	0.2
221.11798	3.6
239.12846	4.4
240.13165	0.3
250.96310	0.2
353.16028	0.9
357.11884	24.4
358.12158	1.7
383.17065	17.1
384.17392	1.2
401.18100	1.4
413.18161	2.1
443.19183	16.0
444.19315	1.6
469.13821	0.2
535.99652	0.2
544.48785	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4616
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	11.8
72.76299	5.9
75.00893	5.9
76.37065	6.3
78.95905	11.5
80.96492	7.4
84.67026	6.8
95.57088	6.0
99.00896	6.2
103.66555	6.3
207.10274	14.0
225.11261	37.1
243.12175	6.9
255.23332	36.6
397.13693	8.0
407.73676	5.6
412.44794	7.0
578.49683	7.1
605.24536	10.1
669.66687	6.8
727.65839	6.4
861.48236	65.0
862.48798	14.2
897.46252	100.0
898.46881	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	2.1
71.01379	100.0
71.52914	2.1
73.02936	5.2
75.00856	1.9
78.95885	2.1
83.01418	1.6
85.02954	5.5
87.00876	4.6
89.02441	18.2
95.01408	2.4
97.02954	6.2
99.00904	2.7
101.02432	19.9
102.38029	1.6
109.06588	6.1
113.02447	8.4
119.03513	6.0
125.02448	9.1
127.11339	1.7
143.03484	2.3
148.80582	1.3
155.09573	1.4
155.10843	1.7
158.35710	1.3
161.04547	4.1
163.11258	3.3
171.10258	56.6
179.05605	5.7
199.09770	12.0
201.11246	12.8
207.10255	18.5
209.11655	1.5
221.06725	3.1
225.11273	12.7
235.08249	6.8
243.12379	1.5
255.23274	81.8
256.23615	6.3
277.21625	1.7
287.07758	2.3
305.08865	3.3
379.12396	7.1
380.13022	1.4
397.13461	49.5
398.13766	3.4
415.14493	11.8
548.42499	1.4
579.22522	1.5
605.24469	2.1
653.37531	2.7
835.46930	4.0
861.48126	10.1
862.49237	4.1
879.49091	2.5
897.50745	13.0
898.50452	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	898.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98540	24.2
71.52423	28.5
109.02976	31.1
135.04526	41.3
153.01987	38.3
155.93367	17.8
161.02432	48.3
173.04501	37.7
209.11839	100.0
259.12027	16.0
341.59119	17.0
401.20016	20.9
457.21973	22.2
461.69513	18.1
595.50653	18.2
873.87640	18.3
898.39038	23.6
928.43060	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48923	0.7
69.49328	1.7
74.02462	0.6
83.01398	0.5
94.26773	0.3
98.02453	0.4
98.20569	0.9
107.01386	1.6
108.02192	0.9
109.02930	0.6
117.77886	0.3
121.02987	1.3
124.31659	0.3
133.70680	0.3
135.00873	0.5
135.04485	0.4
148.01672	0.8
151.00378	6.2
163.00359	1.2
174.30057	0.3
178.99849	3.4
192.00490	0.3
203.08374	0.6
211.04138	0.9
216.04182	0.4
226.02730	0.7
227.03465	1.1
229.05040	0.8
239.14859	0.4
243.02939	4.3
245.04437	0.5
245.09297	0.9
254.02228	1.3
255.02985	13.6
256.03418	1.3
271.02484	30.2
272.02942	2.1
283.02505	0.4
299.01999	0.4
300.02744	65.3
301.03467	24.0
302.04034	1.0
343.04678	0.4
348.09363	0.4
376.88965	0.4
467.54733	0.4
609.14587	100.0
610.14929	10.7
684.19672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4648
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	3.2
69.52065	3.1
71.01010	1.0
71.01382	13.6
71.05017	1.9
72.99306	1.3
73.02937	1.8
78.95923	0.9
80.96508	1.2
81.71916	0.5
83.01373	1.5
83.14139	0.5
85.02961	3.4
87.00859	3.4
87.01312	0.5
89.02439	8.3
95.01373	0.8
97.02928	2.1
99.00855	0.8
101.02439	7.8
113.02430	3.5
119.03507	2.3
123.08186	0.9
125.02412	2.0
125.09707	1.7
132.02083	0.5
143.03505	0.8
151.11259	1.6
153.12831	1.6
161.04538	1.5
161.09686	1.3
169.12341	1.6
171.67279	0.5
179.05551	0.9
179.10750	3.8
197.11819	48.2
198.12201	2.0
221.06644	1.6
223.09801	1.3
225.00700	0.6
233.73683	0.6
235.08076	0.7
241.10799	3.2
253.09203	0.6
277.21698	20.1
278.21988	0.5
279.23264	0.8
323.09744	0.8
341.10852	1.0
397.13443	2.1
417.06668	0.6
471.15482	0.8
603.33752	0.7
621.23541	0.7
638.97839	0.6
639.25006	0.8
669.74896	0.6
899.46417	100.0
900.46716	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	0.8
69.36588	4.6
71.01382	14.3
71.05025	1.5
72.99287	1.1
73.02943	2.2
76.64123	0.6
78.95911	0.8
80.96504	1.2
81.03433	0.8
83.01388	1.3
84.74554	0.6
85.02947	3.3
87.00867	2.8
88.49754	0.5
89.02442	8.7
95.01388	0.9
97.02956	5.8
97.06529	1.3
98.19928	1.5
99.00882	10.1
101.02437	8.3
105.03421	0.6
109.06593	1.4
113.02460	4.2
119.03490	1.7
123.08144	1.1
125.02438	2.6
125.09714	4.1
127.11300	0.7
133.02962	2.3
141.01953	0.8
142.02705	1.4
143.03467	0.8
152.99579	1.5
153.12914	0.7
161.04564	1.6
161.09718	1.2
163.11272	6.4
171.10287	2.7
177.01917	1.3
179.05568	1.2
179.10751	0.8
181.12331	13.9
189.09250	0.7
197.11821	1.5
199.13412	14.4
201.11345	1.3
207.10246	30.9
208.10551	1.4
221.06677	3.9
225.11304	45.8
226.11638	1.3
235.08127	0.9
243.12343	12.8
244.12711	1.3
277.21707	21.3
278.22119	1.6
297.33029	0.6
358.93991	0.8
379.12579	0.8
397.13370	4.3
415.14609	1.3
443.19925	0.7
460.19388	0.6
605.24994	2.9
623.25366	5.8
755.79102	0.6
883.47150	10.0
884.47784	1.4
901.47937	100.0
902.48248	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77326	0.5
69.24725	5.4
71.01378	5.4
72.99309	0.9
80.05054	1.8
85.02973	0.5
87.00874	14.7
88.17767	0.6
104.05040	1.0
106.06619	4.2
111.00835	0.8
115.00368	13.0
120.08183	3.2
120.84381	0.7
121.05293	1.5
122.06119	7.7
130.06647	0.7
132.04561	1.2
132.08298	0.6
134.06119	27.6
135.04507	0.8
135.06416	0.8
145.02840	0.6
146.06096	0.8
148.07669	3.9
152.07130	1.9
158.02499	1.1
160.04010	1.7
160.06395	1.9
161.02426	0.6
161.04680	0.7
166.08690	1.1
173.04668	1.0
174.01714	0.6
174.05589	2.0
175.02457	17.0
176.07127	1.7
190.05074	3.8
191.05582	0.9
194.08203	2.2
197.07234	0.9
198.12854	0.6
200.07321	0.6
209.11836	1.1
213.10320	14.2
216.06535	0.8
223.08676	0.6
225.10223	1.3
226.10970	0.7
227.11873	2.0
237.10223	1.4
239.11868	10.1
240.12335	0.6
241.13434	7.4
248.09349	0.6
249.06697	0.8
249.10252	2.3
250.07375	1.0
251.11815	2.7
253.13487	0.7
262.07297	0.6
263.08221	2.4
263.11691	0.8
264.08890	1.1
265.09827	1.7
267.11349	1.1
277.09781	6.6
278.07471	0.6
278.10602	3.9
279.11273	2.1
285.12421	34.5
286.12769	2.1
290.10501	1.0
291.07788	0.7
291.11383	1.3
292.08417	0.9
293.09729	1.1
293.12988	3.9
295.10864	2.3
303.07510	0.7
303.11105	0.6
305.09283	7.1
306.09750	0.8
307.10815	3.6
308.11234	0.8
309.12476	0.9
316.14587	0.8
321.08762	0.8
321.12396	0.9
323.10443	0.6
328.10910	1.1
332.17630	0.8
337.11942	9.5
338.12314	1.1
342.12100	0.9
343.13342	1.0
344.17508	0.7
355.13242	1.2
356.13815	1.0
356.17862	0.7
357.14792	1.6
358.15594	8.1
359.16049	1.0
365.11359	1.7
367.13147	1.5
368.14011	1.2
369.14804	0.7
370.11600	1.3
370.15714	1.0
372.17267	1.0
382.11322	0.7
382.15717	1.0
384.13330	1.9
384.17557	1.1
385.13861	0.8
397.13977	13.9
398.14563	2.8
399.15585	1.1
400.16574	12.3
412.16650	5.7
424.16580	0.8
425.17194	1.1
426.18420	1.6
479.24310	0.9
485.19543	0.7
491.20987	0.8
504.21536	0.8
505.22278	2.5
506.22839	0.7
519.24005	1.0
523.23755	0.9
532.20361	0.7
547.23529	3.7
565.24414	2.4
574.21832	16.0
575.21948	1.8
586.18323	1.1
591.22491	2.3
607.25616	21.7
608.25812	3.6
617.20428	0.7
618.20813	5.4
619.21185	1.3
623.25165	1.2
639.28442	2.1
641.25970	1.1
651.24579	61.3
652.24884	8.5
665.26392	1.2
676.21466	2.4
683.27167	100.0
684.27466	14.5
709.25275	9.4
710.25891	1.1
741.27734	7.2
799.27948	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	908.5055
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39468	1.4
69.39877	0.5
70.24638	0.3
78.95899	57.0
85.11766	0.3
96.96368	0.6
96.96957	6.6
99.89600	0.3
140.01135	0.4
150.97948	1.7
152.99576	100.0
153.99902	1.2
166.60876	0.3
171.00627	5.2
196.03723	0.4
197.88661	0.3
214.04842	1.2
231.10632	0.3
241.43196	0.3
271.66257	0.3
277.21719	0.6
279.23260	39.2
280.23651	2.5
431.21988	37.8
432.22415	3.5
463.66684	0.3
476.27795	25.9
477.28140	2.3
565.74237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.73911	0.7
73.53225	0.1
74.27759	0.1
78.95901	63.4
96.96959	6.6
96.97604	0.2
122.00115	0.2
128.48149	0.1
134.98532	0.2
140.01193	1.7
150.98006	1.9
152.99576	100.0
153.99910	0.9
171.00635	3.9
196.03790	2.9
205.62358	0.1
214.04842	0.6
221.90527	0.2
236.56718	0.1
277.21664	0.8
279.23273	28.4
280.23599	2.3
331.84015	0.1
357.65466	0.1
375.24518	0.1
431.21985	39.6
432.22308	3.3
475.24603	0.3
476.27798	28.9
477.28036	2.4
863.42969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	1.3
71.52174	0.4
72.99323	0.3
73.02928	0.6
75.00887	0.3
85.02915	0.4
88.94687	0.3
88.98801	0.3
89.03980	0.5
93.03518	0.3
96.95971	0.5
101.02445	0.5
104.02699	0.4
113.02435	0.7
117.03483	0.9
119.05021	0.5
121.02956	0.6
132.02167	31.5
133.03021	2.2
134.03738	15.5
135.04596	1.7
137.02457	0.7
139.04021	0.3
147.04553	0.5
149.06076	2.1
160.01651	100.0
161.02385	7.3
175.03989	95.3
176.04320	3.2
178.02768	1.6
179.03516	1.7
193.05045	11.3
194.05312	0.3
203.07202	0.3
206.05743	0.3
207.06577	0.4
209.11870	0.7
217.05025	0.8
235.06194	0.5
247.06123	0.4
265.07141	1.1
304.06152	0.3
319.08197	0.5
327.21985	0.3
333.65833	0.3
335.22186	0.3
337.09192	0.5
399.18542	0.3
481.13177	0.3
513.14093	1.2
523.14569	0.5
541.15668	3.0
542.17218	0.4
559.16736	2.6
653.53265	0.3
717.07782	0.6
717.20319	12.4
718.20581	1.2
735.21362	13.1
736.21454	1.7
749.23700	0.3
911.26099	13.5
911.43994	0.7
912.26563	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46946	0.3
78.95901	35.3
96.96960	3.0
97.69466	0.4
98.19767	0.8
106.77524	0.4
145.10922	0.5
150.98085	0.9
152.99580	49.9
153.99928	0.7
160.72057	0.4
171.00635	11.6
209.11749	1.0
227.03265	2.9
229.54539	0.5
231.78746	0.4
245.04285	55.4
246.04674	1.2
253.21712	21.7
254.22037	1.1
263.74854	0.4
277.21692	1.3
431.21927	2.5
481.25693	100.0
482.26099	8.1
842.32745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01909	1.5
69.03452	2.8
69.64410	6.7
71.01379	100.0
72.99318	3.0
73.02943	37.7
75.00842	1.9
81.03490	1.8
83.01385	17.2
83.05033	2.8
85.02953	37.5
87.00872	3.1
89.02447	18.1
91.01923	2.1
93.03462	3.8
95.01382	6.8
97.02930	2.4
99.00876	8.3
99.04516	11.3
101.02438	69.9
113.02451	41.4
119.03515	9.2
121.02956	2.4
125.02436	10.9
131.03520	3.1
137.02406	2.8
143.03482	10.6
149.04550	7.2
151.04015	37.9
155.03535	1.3
155.90292	1.3
159.02966	3.7
161.04541	33.8
179.05566	7.7
191.05725	1.3
196.13165	1.3
203.05583	21.1
209.15460	5.4
221.06624	5.4
265.35416	1.4
327.42398	1.3
371.20685	30.4
372.21033	1.8
413.21793	85.6
414.22180	5.9
415.19955	1.5
418.48413	1.4
457.13562	6.2
457.19720	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	915.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00337	0.5
71.01358	0.4
87.16036	0.3
89.02389	0.3
90.57795	0.3
106.29659	0.3
107.01395	0.5
109.02905	0.4
121.02940	0.8
125.02464	0.4
133.03017	0.3
135.04491	0.5
137.02451	0.4
151.00372	3.9
153.01892	0.4
153.05559	0.5
161.02422	0.5
163.00378	0.9
165.01837	0.6
168.90651	0.3
173.04530	0.8
178.99867	2.5
190.02669	0.7
191.03467	0.3
199.04054	0.4
216.04315	0.5
226.02649	3.3
227.03529	1.4
227.12827	0.8
243.02957	8.1
244.03365	0.4
245.09172	0.8
254.02214	3.4
255.02979	5.9
270.49088	0.3
271.02460	40.0
272.02972	3.2
273.13330	0.3
287.14999	1.3
288.15387	0.9
300.02722	50.6
301.03427	12.7
302.03699	0.8
309.06284	0.6
328.10315	0.3
343.04474	0.5
419.19147	0.6
449.20111	1.5
450.20743	1.1
451.21005	0.4
463.08786	100.0
464.09094	7.4
465.09808	0.4
477.22379	0.3
539.59534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5448
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52746	0.3
78.95899	24.0
96.96961	1.8
98.93115	0.3
117.57346	0.3
150.97992	0.4
152.99579	35.3
153.99959	0.6
171.00624	10.7
174.73773	0.3
209.11803	0.3
227.03218	2.5
245.04291	52.1
246.04623	2.0
247.04726	0.6
253.21704	21.8
254.22061	1.4
277.21744	0.3
481.25684	100.0
482.26022	9.8
483.26108	3.1
545.42316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03456	1.4
71.01379	14.1
72.99299	1.7
73.02946	3.1
75.00867	1.1
81.03436	1.2
83.01385	2.0
85.02929	4.0
87.00861	4.7
89.02444	7.4
95.01395	1.5
97.02940	8.6
97.06591	2.8
98.20644	3.0
99.00876	19.3
101.02427	6.1
109.06575	2.2
109.84251	0.9
110.03710	1.2
113.02443	5.1
115.26849	0.7
116.92859	3.8
119.03498	1.5
123.08117	1.6
125.02444	4.4
125.09722	6.0
126.45793	0.8
128.43936	0.8
133.05000	0.8
135.08159	1.0
136.05255	1.3
142.02759	1.7
161.04568	1.4
161.09851	0.7
163.11302	8.3
179.05614	1.7
181.12337	15.8
199.13324	1.5
207.10240	42.9
208.10599	1.3
225.11301	62.6
226.11714	2.2
231.46251	0.8
235.08136	2.7
243.12358	21.2
255.23259	56.2
256.23599	2.3
263.07669	1.3
379.12436	3.3
397.13406	10.1
415.14648	1.5
557.10516	0.9
605.24469	18.7
606.24426	1.6
623.25623	8.4
624.25775	1.0
653.37402	1.7
861.48425	100.0
862.48846	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	924.4803
Annotation	Unknow
Peak:m/z	Relative Intensity
68.03154	18.6
71.52454	27.1
80.72128	20.2
95.62663	21.2
103.55941	18.2
112.10317	17.6
116.92883	100.0
117.92883	31.5
126.52624	22.9
196.34540	19.5
209.11842	66.2
225.11331	51.7
226.11621	33.7
255.23329	83.4
256.23624	55.6
337.16342	22.3
397.13776	31.4
438.59387	20.7
461.82822	21.0
475.80359	20.2
705.49133	22.8
790.94672	22.4
864.49664	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
69.99791	100.0
71.20013	47.3
98.19933	45.5
113.19279	46.9
115.39405	41.1
132.65121	47.0
209.11769	56.1
241.53119	51.1
255.23300	85.7
272.45612	48.3
458.77557	44.9
491.16431	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	927.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
71.53170	0.7
71.85677	0.5
73.01077	0.6
78.95900	26.6
88.98808	1.1
91.41345	0.5
92.41376	0.7
96.96951	2.2
152.99571	43.4
171.00627	10.7
227.03235	2.1
245.04292	51.7
246.04562	1.4
253.21701	24.8
254.21953	0.6
277.21686	0.9
279.23267	12.4
280.23615	0.8
433.23517	2.1
475.24713	7.3
481.25693	100.0
482.26129	8.3
493.25818	5.5
500.89240	0.7
508.38629	0.7
716.08722	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5678
Annotation	Unknow
Peak:m/z	Relative Intensity
76.39709	0.3
78.95901	53.3
96.96959	6.1
150.98012	1.5
152.99577	100.0
153.99902	1.0
171.00630	4.4
279.23291	1.6
280.23633	0.3
287.16809	0.3
301.83051	0.3
433.23566	39.2
434.23862	3.1
475.13428	0.3
475.24445	0.4
476.25137	0.4
482.57666	0.3
521.06622	0.3
659.16248	0.3
937.07294	0.3
960.68738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5428
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66934	0.4
70.67263	0.6
73.70409	0.3
78.95900	24.4
96.96951	1.9
150.98003	0.6
152.99577	38.0
153.99986	0.5
171.00633	10.0
227.03172	2.4
227.04761	0.2
245.04289	47.8
246.04646	0.4
253.21716	19.4
254.22015	1.0
255.23289	1.3
334.62823	0.3
452.27975	0.5
481.25684	100.0
482.26004	6.6
700.57184	0.3
872.57556	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.642
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91112	0.4
71.01382	0.4
71.52142	0.6
76.28165	0.4
81.03440	0.5
82.40936	0.4
83.05013	0.6
96.96043	0.5
101.02437	0.4
101.94543	0.4
132.34364	0.3
135.04532	0.4
138.83138	0.3
139.24400	0.4
146.55301	0.4
161.02353	0.4
170.32655	0.4
173.04463	0.4
328.36911	0.4
397.70419	0.4
451.33032	1.1
903.66296	2.0
939.64136	100.0
940.64349	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	943.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	0.6
71.01380	21.9
71.05034	0.4
71.51989	0.5
72.99298	1.2
73.02945	11.1
80.96504	0.5
83.01376	3.6
85.02950	8.0
86.65310	0.4
87.00901	0.8
89.02442	4.5
95.01378	2.2
95.05034	0.6
97.02943	2.1
99.00862	1.3
101.02438	10.8
108.05828	0.7
109.02949	0.9
109.06599	0.8
111.04509	0.6
113.02444	12.8
113.06101	1.3
119.03492	1.8
121.06547	0.5
122.03733	0.7
123.04482	0.7
123.08180	2.4
123.08907	0.4
125.02428	0.6
125.06032	1.0
128.13797	0.4
131.03497	0.5
136.05295	3.1
137.06021	0.5
138.06865	12.5
139.07666	4.2
143.03506	1.3
149.04572	1.2
151.07651	11.4
152.04845	1.2
152.08427	24.3
153.09209	60.0
154.09532	1.7
161.04544	4.6
161.09702	0.7
163.03877	0.4
163.11296	1.5
165.09157	2.2
167.07109	1.4
173.04446	0.6
179.05560	0.6
179.10719	0.7
187.11313	0.6
189.09212	0.6
190.09990	0.8
194.98331	0.4
203.05635	0.9
205.12315	24.3
206.12659	1.0
209.60664	0.4
221.06654	0.6
223.13377	12.5
224.13763	0.8
323.12570	0.7
367.17587	86.8
368.17874	5.2
385.18570	10.0
386.19028	0.8
427.19690	100.0
428.20099	7.2
471.15012	1.7
620.10010	0.5
721.20605	0.5
886.50256	0.6
921.23218	0.6
939.15509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
70.82485	0.3
73.59603	0.1
78.95903	52.1
96.96960	6.4
99.97166	0.1
150.98032	2.1
152.99580	100.0
153.99896	0.8
170.99258	0.3
171.00642	4.0
212.42725	0.1
233.04048	0.1
277.21732	0.8
431.21994	41.0
432.22333	2.4
501.82248	0.1
575.68890	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5344
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	54.2
96.96960	6.8
96.97602	0.3
124.48240	0.1
150.98027	2.3
150.99174	0.1
152.62538	0.1
152.99582	100.0
153.99916	0.8
171.00644	3.9
172.59767	0.1
174.79520	0.1
229.78888	0.1
277.21671	0.7
431.21994	38.9
432.22302	2.4
579.99182	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	947.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
69.51877	1.5
69.52278	4.0
70.09917	0.9
71.01379	31.9
72.99301	2.2
73.02946	14.5
83.01379	5.5
83.05025	2.0
85.02951	10.2
86.42680	0.9
87.00864	1.2
89.02441	10.3
95.01402	2.1
98.20580	2.0
99.00883	2.5
99.04508	8.7
100.43600	0.8
101.02440	21.4
107.05028	1.2
108.96985	1.1
113.02446	11.9
118.61980	0.8
119.03481	3.4
123.08160	21.3
125.02439	5.9
131.03494	1.6
134.03725	2.7
137.09712	7.8
143.03468	3.9
149.04575	2.7
149.06017	2.0
153.09183	2.7
161.04552	15.9
163.11276	19.3
164.11592	1.2
165.88083	0.8
173.09715	1.8
179.05635	1.9
189.12840	29.0
190.13171	1.0
203.05611	5.0
205.12233	1.9
206.12570	1.4
207.13899	35.9
207.15871	1.7
218.57559	0.9
221.06644	3.5
225.14944	9.4
311.11322	5.3
329.12460	2.3
335.79883	1.0
358.22781	0.8
363.33609	0.9
367.17697	2.2
368.17749	1.4
369.19055	4.0
371.13541	2.5
387.20215	13.2
411.16422	1.3
427.19656	2.5
428.19788	1.3
429.21259	100.0
430.21509	6.7
473.16620	11.1
474.16965	1.7
609.24774	1.0
635.75867	0.9
698.10614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.5943
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01381	8.9
72.99299	1.0
73.02933	0.5
73.11094	0.2
78.95902	12.8
80.96336	0.6
83.01385	0.8
85.02944	2.0
87.00869	0.8
89.01964	0.3
89.02441	7.2
91.48601	0.2
93.84724	0.2
95.01376	0.7
96.96969	1.2
98.20647	0.7
99.00851	0.2
101.02440	6.9
113.02449	3.5
119.03497	3.4
131.03481	0.2
143.03516	0.3
149.04579	0.2
150.98044	0.2
152.99579	18.6
153.99915	2.1
154.99992	1.1
161.74969	0.2
171.00635	0.6
179.05495	0.2
223.20711	0.5
225.22227	15.4
226.22627	0.7
229.38072	0.4
231.16760	0.2
239.23857	0.4
239.55159	0.2
253.21674	3.2
255.23196	0.4
267.23181	1.1
269.24734	0.2
271.22769	29.5
272.23077	1.6
277.21686	0.2
313.23938	0.4
431.22079	3.3
432.22360	3.6
433.23541	3.7
433.28024	100.0
434.28360	7.4
491.14789	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.532
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23941	0.4
69.24347	1.1
73.95503	0.1
78.95901	27.4
83.05009	0.1
95.41829	0.2
96.96941	1.3
106.96005	0.2
122.00111	0.3
127.07645	0.3
140.01180	2.7
152.99574	4.7
153.00822	0.2
171.00630	3.9
196.03807	1.3
214.04854	3.6
214.11874	0.2
233.22755	0.4
259.20645	0.7
274.49380	0.1
275.20151	0.4
277.21704	100.0
278.22055	4.9
400.22540	0.5
474.26236	74.8
475.26526	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	949.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
66.78677	0.7
69.03448	0.9
71.01382	12.7
71.53677	1.0
72.99309	0.7
73.02938	2.4
78.95907	6.6
83.01384	1.8
85.02966	3.0
87.00879	3.2
89.02445	10.7
89.39728	0.6
95.01382	1.0
97.02925	3.1
99.00851	1.2
101.02444	9.6
111.04481	0.6
113.02440	4.4
113.09725	1.3
119.03493	3.5
125.02438	5.2
136.73967	0.6
143.03490	1.7
152.99576	8.5
161.04530	2.8
171.00641	1.8
179.05609	2.4
195.13898	15.0
221.06578	0.7
235.08141	5.8
245.04320	4.2
253.09308	1.2
253.21704	2.0
255.23276	36.2
256.23645	1.1
277.21710	17.2
279.23334	3.3
287.07697	2.3
295.22766	100.0
296.20151	0.7
296.23016	4.1
305.08835	2.7
397.13467	62.9
398.13776	2.8
415.14572	16.7
431.21970	2.8
467.24030	3.4
473.23203	2.1
475.24704	1.9
481.25717	6.7
482.25845	0.9
653.37610	9.0
654.38568	1.0
707.27020	0.7
763.77905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44337	0.9
70.53715	0.1
78.95900	60.7
96.96962	6.9
97.54919	0.1
102.70604	0.1
108.06400	0.1
135.09000	0.1
150.98018	2.2
152.99577	100.0
153.99922	1.1
171.00627	4.0
261.52536	0.1
277.21655	1.5
344.46063	0.1
431.21994	40.4
432.22375	2.6
473.23230	0.6
476.27838	1.6
502.31415	0.1
561.06830	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	950.552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45126	0.1
78.95902	59.2
96.96960	6.4
96.97603	0.2
111.60240	0.1
121.65392	0.1
150.96886	0.2
150.98018	1.8
151.44930	0.1
152.99579	100.0
153.99924	0.8
171.00641	3.9
225.90544	0.1
277.21674	0.8
279.23294	0.3
280.23770	0.1
431.21988	39.3
432.22321	2.4
473.23285	0.1
504.89954	0.1
505.25906	0.1
553.58917	0.1
784.96149	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	950.5524
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19360	0.2
78.95898	59.7
86.92992	0.1
92.21728	0.1
96.96955	7.0
98.19988	0.1
115.47174	0.1
150.98009	2.0
152.99571	100.0
153.99907	0.7
166.90863	0.1
171.00626	4.0
183.05504	0.1
232.87477	0.1
244.47200	0.1
257.62796	0.1
277.21683	0.9
279.23209	0.2
308.20944	0.1
431.21957	39.3
432.22305	2.3
432.28271	0.1
473.22974	0.3
473.88776	0.1
504.30771	0.1
529.40918	0.1
572.85529	0.1
573.22736	0.1
612.81995	0.1
729.69464	0.1
941.29749	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	951.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36617	1.0
93.03472	1.1
96.96014	0.8
98.19955	0.4
107.01390	0.8
109.02924	0.4
125.02403	0.4
132.02206	0.5
135.00856	1.4
135.04546	0.5
143.05000	0.7
151.00330	1.1
157.06660	0.3
159.04555	0.6
161.02448	0.6
163.00339	1.5
173.33174	0.4
185.06047	1.3
187.03983	1.4
191.05489	0.3
195.04449	0.5
197.06119	0.4
199.03996	0.8
200.04840	0.6
209.11914	0.4
211.04019	1.8
213.05563	1.0
227.03494	16.2
228.03792	0.7
229.05055	6.1
239.01259	0.3
239.03432	1.7
241.05011	0.7
255.02980	36.3
256.03561	3.2
257.02087	0.5
257.04559	3.9
267.03061	0.4
284.03256	61.0
285.04022	66.4
286.04370	3.5
389.87021	0.4
415.18259	0.7
416.18219	0.7
416.23074	0.4
417.19360	1.8
489.10376	100.0
490.10693	8.1
490.17358	0.7
582.50360	0.4
726.65869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32035	0.3
69.32454	0.5
78.95903	15.1
83.05024	0.1
91.02110	0.1
96.96974	0.7
111.17365	0.1
122.00143	0.2
140.01180	2.2
152.99579	3.2
171.00653	1.8
196.03751	1.2
214.04836	3.1
261.22168	0.2
279.23267	100.0
280.23596	4.8
402.24130	0.2
433.23798	0.2
434.24243	0.1
471.86691	0.1
476.27789	60.3
477.28107	4.1
520.26910	0.2
521.26904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
70.97314	0.3
71.09509	0.6
78.95901	57.9
79.10419	0.3
96.96959	7.5
117.02751	0.3
146.68028	0.3
150.98032	1.7
152.99579	100.0
153.99922	0.8
171.00630	4.2
188.06091	0.3
271.35599	0.3
274.68271	0.3
279.23227	1.3
433.23569	44.7
434.23776	2.7
886.35162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22319	2.3
83.01392	0.5
100.63554	0.2
103.18754	0.2
107.01402	1.5
108.02174	0.8
109.02934	0.8
121.02936	1.1
135.00880	0.5
135.04468	0.4
148.01680	0.8
149.02435	0.3
150.99193	0.5
151.00356	6.5
156.74202	0.2
163.00359	1.3
164.01149	0.7
169.01387	0.4
172.67537	0.2
178.99857	3.0
187.03999	0.3
189.97018	0.2
192.00591	0.3
211.03934	0.8
216.04195	0.4
226.02676	0.8
227.03418	1.5
229.04948	0.4
243.02951	5.7
243.12473	0.3
244.03210	0.3
245.04550	0.7
254.02124	1.3
255.02966	16.4
256.03369	0.6
271.02451	33.0
272.02972	1.9
273.03943	0.3
283.02356	1.2
299.01929	0.8
300.02725	73.3
301.03458	26.1
302.03864	1.3
364.91830	0.2
365.23959	0.2
405.17731	0.4
420.74139	0.3
463.08789	1.6
504.16071	0.3
505.09839	100.0
506.10165	8.3
626.76764	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	0.5
71.52282	0.4
71.52734	0.6
71.60630	0.3
77.74738	0.3
78.95901	9.4
83.05006	0.4
110.98533	4.7
126.45252	0.3
138.79106	0.3
152.99577	2.9
167.01154	3.0
171.00645	0.4
185.02156	4.5
229.52422	0.3
245.04369	1.7
246.04697	0.7
247.04755	0.3
275.20157	0.6
277.21701	100.0
278.22073	5.3
279.23303	1.4
279.43304	0.3
280.23605	0.8
281.23987	0.5
290.74149	0.3
310.93091	0.3
358.13104	0.3
445.23569	53.6
446.23984	3.3
475.24884	0.6
476.24896	0.7
477.24973	0.4
481.25674	1.2
482.26016	1.5
483.26492	0.8
700.41699	0.3
849.78192	0.4
938.19122	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.686
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04644	0.2
70.53030	0.6
70.61790	0.2
71.01338	0.2
73.02953	0.2
80.05070	0.3
81.03451	5.7
81.67271	0.2
83.05024	14.0
84.05307	0.2
85.44556	0.2
96.96014	0.2
100.07650	0.5
107.06097	0.4
108.04575	0.3
125.07192	0.8
126.05585	0.4
127.30914	0.2
135.84438	0.2
143.08284	0.3
143.28117	0.2
157.13412	0.2
173.04428	0.2
181.48116	0.2
199.18094	0.3
207.15010	0.9
223.40442	0.2
224.17653	2.3
225.16060	9.0
234.42836	0.2
242.18762	0.5
244.52927	0.2
251.39697	0.2
267.53906	0.2
309.21786	0.6
324.26651	0.2
333.22845	0.4
341.29181	0.7
367.27036	0.8
388.06717	0.2
389.50909	0.2
433.31662	1.2
450.34402	1.0
451.32861	8.9
452.33011	0.5
535.39111	0.2
550.43170	0.7
565.43848	0.4
567.46442	0.4
593.44104	0.5
659.48572	0.3
676.51428	0.4
677.49518	1.9
776.59967	0.4
885.65552	0.7
903.66449	100.0
904.66699	14.2
982.83813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.70611	2.3
69.71001	2.1
71.01377	1.1
73.02918	1.1
83.05034	1.4
93.03458	0.8
96.96014	4.2
113.15651	0.8
135.04503	1.0
140.96077	0.8
146.71132	0.8
157.17365	1.0
160.98062	1.0
161.02434	1.1
170.55942	1.0
173.04568	1.5
226.16467	0.9
392.30106	0.9
453.33807	1.3
848.44971	1.0
898.13641	0.9
905.67017	4.2
906.67322	17.3
966.65991	100.0
967.66235	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	967.5627
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99557	1.3
69.03457	0.9
71.01377	20.5
72.99303	1.8
73.02951	3.7
80.96518	1.1
83.01388	2.6
83.34135	0.6
85.02944	4.8
87.00890	4.3
89.02441	17.5
91.04024	0.8
93.03407	0.7
95.01364	1.3
97.02940	3.3
98.19849	1.3
99.00866	1.6
101.02441	20.5
106.24713	0.6
108.06063	0.5
112.98550	1.6
113.02444	9.2
114.35822	0.6
115.04021	0.7
119.03497	5.4
119.37204	0.5
121.02937	0.7
125.02431	6.4
131.03462	0.7
139.03870	0.7
143.03468	2.8
161.04503	2.9
165.12836	7.9
165.81187	0.6
169.05028	0.7
179.05583	4.7
186.15895	0.6
221.06607	1.8
229.05470	0.8
235.08247	10.3
247.20663	3.7
253.09247	1.8
264.94000	0.6
273.18542	2.4
277.09302	0.7
277.21704	53.0
278.21924	1.9
287.07834	2.7
291.19650	28.9
292.19885	0.8
305.08936	3.4
323.09674	1.2
397.13470	100.0
398.13690	3.6
415.14529	33.5
416.14740	1.8
675.35675	5.4
967.46350	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5942
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	0.8
71.01381	13.7
72.99294	1.5
73.02943	2.6
77.10693	0.4
81.03445	0.7
83.01394	1.4
85.02955	3.4
86.14446	0.4
87.00867	2.9
89.02443	14.3
95.01392	0.8
97.02936	2.3
97.06616	0.4
99.00880	0.7
101.02440	11.1
111.04494	0.5
113.02450	5.8
119.03482	4.4
125.02441	5.2
127.03981	0.5
131.03482	0.4
139.04013	0.7
143.03479	1.8
161.04546	3.1
167.09293	0.4
179.05627	3.1
179.14409	0.8
183.45868	0.4
195.13870	7.8
196.14473	0.6
205.12325	0.6
205.15881	0.4
211.13344	0.5
217.07249	0.4
221.06616	0.9
223.13365	4.6
224.13879	0.5
226.08289	0.4
228.13626	0.9
231.21219	0.6
235.08221	6.3
241.07130	0.5
245.06487	0.5
253.09276	1.4
256.13162	1.6
263.07721	0.5
275.20120	4.3
277.09647	0.4
279.23279	43.6
280.23618	1.5
287.07700	2.0
293.21210	100.0
294.21542	3.8
303.12213	0.4
305.08859	2.7
323.09781	0.9
397.13486	74.3
398.13663	2.7
415.14545	21.2
416.14871	0.6
461.67847	0.4
494.75735	0.4
500.97180	0.4
677.37274	6.1
700.71228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.37449	0.9
69.37873	0.9
78.95898	31.0
79.39978	0.2
87.07249	0.3
95.71877	0.3
96.96957	3.0
98.19850	0.4
120.96964	0.6
121.57801	0.3
138.73288	0.3
138.98004	1.0
140.55675	0.3
150.98039	0.7
152.99574	43.2
153.99922	0.7
171.00629	12.1
195.00595	1.2
213.01688	1.3
227.03241	2.0
245.04285	51.3
245.98271	0.3
246.04683	1.5
253.21696	20.5
254.22055	1.9
264.61343	0.3
279.23267	16.4
280.23621	11.1
281.23810	0.4
281.85416	0.2
475.24573	6.2
476.24924	6.8
481.25665	100.0
482.25995	12.3
483.26495	0.5
493.25668	6.5
494.26062	6.2
834.10736	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.5885
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85307	0.7
74.07175	0.1
78.95900	28.8
96.96953	2.4
98.19921	0.3
114.59859	0.1
150.98055	0.7
152.99579	40.2
153.99902	0.5
171.00633	10.4
209.11821	0.2
227.03233	2.4
245.04292	46.4
246.04584	0.7
248.55302	0.1
253.21709	19.3
254.22092	0.8
279.23251	0.8
280.23624	0.4
304.99133	0.1
448.10144	0.1
475.24927	0.3
476.25119	0.4
481.25671	100.0
482.26022	5.8
493.25842	0.2
494.26080	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	979.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	2.0
71.01378	46.2
71.51550	0.7
72.99325	1.7
73.02944	30.5
75.00893	0.7
81.03474	0.6
83.01375	11.5
83.01807	0.7
83.05021	3.7
85.02943	12.9
85.23320	0.5
87.00880	2.4
89.02440	15.8
91.36491	0.5
95.01397	3.2
97.02966	1.7
97.06589	0.5
99.00918	1.7
99.04554	0.9
100.98907	0.5
101.02441	40.2
102.02827	0.6
105.07149	1.4
107.05084	0.7
113.02444	32.3
117.07070	0.5
119.03490	7.7
119.04964	0.9
121.74427	0.5
123.08157	4.8
124.05338	0.9
125.02438	1.4
125.06116	1.9
131.03499	4.4
133.06581	3.0
133.10207	0.5
135.08180	1.9
139.07631	2.9
143.03513	6.1
149.04550	7.1
149.05792	0.7
149.09723	1.3
151.07652	0.6
153.09238	1.5
155.03462	1.2
155.08614	3.4
157.10246	5.5
159.08127	2.6
161.04550	18.5
161.05914	1.1
161.09694	0.8
165.09238	2.6
173.04553	1.0
173.09726	2.1
175.11272	28.0
176.11644	1.5
177.09213	0.5
179.05591	4.7
180.05911	0.5
191.10887	0.8
193.12297	0.8
199.64679	0.6
203.05667	2.2
205.12318	2.4
209.11768	1.4
211.13405	2.1
211.61365	0.5
221.06639	4.7
221.11842	2.2
222.12151	0.7
223.13374	19.6
224.13683	0.7
239.13004	0.6
241.14424	5.3
385.18643	71.1
386.18811	3.7
387.19571	1.0
403.19696	15.5
404.20023	1.1
413.17880	0.9
415.19681	0.9
443.19333	2.7
444.19540	1.6
445.20737	100.0
446.20966	6.9
447.21912	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	985.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	0.5
70.70735	0.4
70.71100	0.4
71.01379	4.2
72.14014	0.2
72.99316	0.3
73.02943	0.7
75.00881	0.2
80.02641	0.2
81.03461	0.2
83.01390	0.4
83.05033	0.4
85.02911	0.9
86.97939	0.2
87.00857	1.0
89.02439	3.1
89.84409	0.2
93.03445	0.2
95.01367	0.3
95.05031	0.2
97.02946	0.6
97.06590	0.2
99.00864	0.4
99.04574	0.2
101.02439	2.8
106.20127	0.2
109.06589	0.3
111.08134	1.3
113.02460	1.3
113.09747	0.2
119.03522	1.0
120.05891	0.2
123.04517	0.3
123.08162	0.4
125.02441	1.5
125.06097	0.3
125.09714	1.3
125.83550	0.2
127.07652	0.2
127.11323	1.0
129.09207	0.2
131.03557	0.2
137.09724	0.4
138.06853	0.2
139.11263	0.2
141.09195	0.4
143.03493	0.5
149.09724	0.3
151.07690	0.4
151.11266	0.7
152.08414	0.2
153.09189	0.6
153.12840	2.5
153.36443	0.2
154.64413	0.2
155.10773	1.0
157.12280	0.2
161.04552	0.8
161.09789	0.3
162.10304	0.2
163.11227	0.2
165.12831	0.4
166.10022	0.2
167.10765	1.0
169.12289	0.8
171.10251	0.6
179.05556	0.4
179.10715	0.5
179.14412	1.0
181.12350	2.1
183.14012	0.2
193.15968	0.8
195.10219	0.2
197.11816	2.2
199.09737	0.9
199.13393	0.7
200.10463	0.5
201.11282	0.8
207.13863	1.4
209.15433	0.4
213.11458	0.3
215.12846	0.7
219.17627	0.3
221.06560	0.2
226.12079	0.2
227.12857	0.8
228.13652	0.5
235.08179	1.8
237.22372	0.2
241.14258	0.2
245.19057	0.4
247.20667	3.7
248.21004	0.3
253.09286	0.2
263.07681	0.3
263.20227	0.5
265.21640	1.0
273.18512	1.8
277.21695	8.6
278.22031	0.9
281.21121	1.0
287.07684	0.4
288.72162	0.2
289.17892	0.3
291.19647	19.0
292.20004	1.0
305.08701	0.6
307.19168	0.8
308.19357	0.7
309.20679	100.0
310.21048	4.6
374.64459	0.2
397.13461	17.3
398.13715	1.5
399.13916	0.4
402.98477	0.2
415.14517	5.2
416.15030	0.4
675.35608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.3
69.76690	1.4
71.01012	0.6
71.01378	7.5
72.99278	0.8
73.02937	1.3
81.03438	0.5
83.01364	1.2
83.05013	0.3
85.02942	1.5
87.00890	1.7
89.01936	0.6
89.02440	6.6
95.01357	0.5
97.02913	1.3
98.19856	0.3
99.00854	0.4
99.08132	1.0
101.01807	0.4
101.02441	7.0
103.10019	0.3
113.02444	3.4
113.09716	1.3
119.03482	2.1
121.10226	0.3
123.08173	0.5
125.02461	2.5
125.09728	0.9
127.07583	0.3
127.11314	1.9
129.09213	2.0
133.05055	0.4
137.09650	0.3
139.03934	0.5
139.11301	2.3
143.03485	1.5
151.11267	0.6
153.09148	0.4
155.10753	0.9
161.04565	1.5
165.12874	0.5
167.10767	0.4
167.14442	0.5
169.12350	1.5
171.10258	13.4
172.10622	0.5
179.05669	1.5
181.12325	1.8
183.10248	1.3
183.13881	0.8
185.11836	2.3
189.77359	0.3
193.12306	0.8
197.11798	4.0
199.13443	2.0
201.11354	1.7
211.11494	0.7
211.13397	8.5
221.06561	0.4
235.08183	4.1
249.22165	0.4
253.09201	1.1
263.07657	0.3
265.21814	0.4
275.20090	2.1
277.21698	19.8
278.22028	0.7
287.07712	1.6
293.21188	8.7
294.21606	0.5
305.08762	1.4
309.20505	0.4
311.22256	100.0
312.22607	5.0
323.09625	0.4
397.13483	40.8
398.13684	1.4
415.14569	12.8
416.14700	0.5
675.35681	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	989.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03447	0.3
71.01378	3.4
73.02941	0.5
78.95906	2.2
78.98588	2.7
79.95731	5.0
80.96513	31.5
81.03457	0.2
83.01394	0.2
85.02956	1.4
87.00875	1.4
94.98083	7.5
96.01958	0.2
96.95992	0.4
97.02949	0.7
98.20668	0.8
99.00867	0.3
101.02442	1.3
101.03047	0.2
106.98084	1.5
122.97568	2.8
125.02433	1.6
127.04020	0.4
134.96735	0.2
134.97589	1.9
136.99132	0.5
148.99141	2.8
152.98586	3.2
152.99602	2.7
158.75111	0.2
164.98608	6.0
167.00198	0.3
167.23669	0.2
171.00641	0.4
175.08162	0.2
177.45056	0.2
182.99721	1.3
188.98608	0.2
206.99661	1.8
225.00723	13.0
226.01027	0.2
230.27847	0.2
239.74556	0.2
243.01782	1.3
245.04289	1.3
253.21817	0.4
255.23224	2.3
279.23276	4.7
299.04468	2.2
314.29102	0.2
481.18716	0.2
481.25662	4.6
482.26428	0.4
507.27222	5.7
508.27460	0.3
555.28369	100.0
556.28656	6.1
993.56018	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	990.5912
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52674	0.4
78.95901	97.2
88.08675	0.2
91.51787	0.3
95.61974	0.2
96.96960	6.8
111.39536	0.2
120.86999	0.2
129.77832	0.3
140.01137	0.9
150.97958	0.3
152.99576	19.6
171.00630	20.8
214.04849	1.5
224.66660	0.3
277.21506	0.5
278.22018	0.5
279.23276	28.3
280.23605	1.7
295.50012	0.3
402.24023	3.2
476.27802	100.0
477.28082	5.4
659.39252	0.3
698.80939	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5793
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	0.2
71.52576	0.2
78.46616	0.1
78.95899	27.1
83.05026	0.2
89.03622	0.2
96.96944	1.7
106.70333	0.1
122.00137	0.3
127.07713	0.2
140.01186	2.9
152.99574	5.1
171.00636	3.9
196.03839	1.3
197.11940	0.2
198.84946	0.2
205.19504	0.2
214.04855	3.3
233.22794	0.6
236.66792	0.1
259.20636	0.6
275.20224	0.4
277.21695	100.0
278.22040	4.6
400.22534	0.7
474.26218	81.2
475.26608	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	991.5794
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34734	0.7
69.35164	0.8
71.01411	0.2
78.95903	27.5
83.05124	0.2
85.64410	0.2
86.39610	0.2
104.97467	0.3
122.00126	1.1
127.07675	0.5
134.98566	0.3
135.25937	0.2
140.01193	6.7
146.23001	0.2
152.99564	2.1
166.02747	0.3
196.03787	11.3
214.04837	2.5
233.22820	0.5
259.20596	0.4
275.20093	0.7
277.21698	83.6
278.22058	3.4
283.66785	0.2
293.65454	0.2
394.50568	0.2
397.13187	0.3
474.26230	100.0
475.26569	5.2
475.32959	0.4
479.22607	0.2
655.96875	0.2
675.63544	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5706
Annotation	Unknow
Peak:m/z	Relative Intensity
71.52586	0.4
78.95901	27.1
81.96028	0.2
82.53566	0.2
85.91913	0.2
96.96954	2.2
101.95727	0.2
107.64048	0.2
108.10001	0.3
140.01237	0.4
150.98000	0.5
152.99577	37.6
153.99931	0.5
171.00633	9.8
196.03796	0.4
227.03238	2.0
245.04292	53.6
246.04523	0.9
253.21703	23.7
254.22020	1.0
279.23257	4.5
381.95004	0.3
382.70651	0.3
475.24579	0.3
476.27811	4.4
477.27905	0.3
481.25687	100.0
482.26019	6.5
534.03217	0.3
666.57385	0.3
849.57806	0.3
905.81775	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6099
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49810	0.1
70.95093	0.1
71.51759	0.2
76.00970	0.1
78.95900	10.7
83.48439	0.1
96.96954	0.4
108.61081	0.1
122.00095	0.2
140.01187	2.2
147.91179	0.1
150.69087	0.1
152.99585	1.7
171.00624	1.2
196.03760	1.1
214.04855	2.8
261.22171	0.4
279.23257	100.0
280.23602	4.5
402.24210	0.3
433.63260	0.1
452.29645	0.1
476.27774	61.5
477.28098	3.3
637.95654	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	995.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.1
71.52930	0.1
74.57574	0.1
78.95898	23.9
81.78291	0.1
96.96931	0.2
104.08315	0.1
122.00155	0.8
122.98524	0.2
132.98538	0.1
134.98521	0.4
140.01183	5.8
152.99580	2.4
166.02744	0.3
171.00578	0.2
196.03781	11.0
214.04842	2.4
217.56419	0.1
245.04295	0.5
253.21779	0.2
261.22198	0.4
279.23254	100.0
280.23581	4.6
280.26675	0.2
356.13297	0.1
476.27771	95.1
477.28119	5.2
481.25430	1.0
504.31268	0.2
601.21710	0.2
743.76660	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	997.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44846	0.5
71.53249	0.6
78.95901	25.2
80.96505	0.7
96.95988	0.8
96.96954	1.3
112.98589	0.8
150.98009	0.6
152.99576	34.0
171.00633	5.3
191.78351	0.5
227.03192	2.3
245.01767	1.1
245.04286	21.8
253.21712	11.1
293.21024	0.9
294.21561	1.2
336.71075	0.6
464.05664	0.6
475.24680	0.7
481.25681	100.0
482.26047	5.8
818.72546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.5865
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53027	0.7
70.53396	0.5
78.95899	26.4
90.41117	0.4
96.96967	2.6
98.19997	0.4
137.98378	0.3
150.97974	0.4
152.99579	38.8
171.00630	8.7
219.29720	0.3
227.03297	2.1
245.04292	45.0
246.04642	0.8
253.21704	20.0
254.22009	1.0
279.23315	0.8
280.23538	0.4
306.30408	0.3
327.08060	0.4
475.24979	0.6
476.25165	0.5
481.25699	100.0
482.25995	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	998.5688
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18058	100.0
132.73738	27.3
162.45808	31.2
325.78473	30.1
341.55722	26.5
485.82959	27.0
705.84607	31.8
799.96307	30.0
893.43030	34.9
931.38867	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.569
Annotation	Unknow
Peak:m/z	Relative Intensity
70.18046	100.0
74.73680	22.6
74.96021	22.1
94.08930	27.3
100.30932	22.6
187.23343	23.1
221.77214	25.8
228.40865	27.7
245.54156	22.4
298.29968	23.8
318.47504	24.0
339.24191	27.2
470.17630	23.9
510.67108	25.0
873.46246	29.6
END